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Author SHA1 Message Date
Guido Cossu 2223cf0f4b Layout changes and typo fixes 2018-03-23 10:32:57 +00:00
Guido Cossu 56d1308477 Updated the list of configuration flags 2018-03-21 10:42:35 +00:00
Guido Cossu a88ce1a573 More changes to the comm flags docs 2018-03-21 10:32:04 +00:00
Guido Cossu 6c9b8e2850 Small fix 2018-03-21 10:28:39 +00:00
Guido Cossu 90b8e57765 Shared mem support flags 2018-03-21 10:25:04 +00:00
Guido Cossu ae6dcd057d Fixing typo 2018-03-19 15:37:06 +00:00
Guido Cossu f8721a4388 Font size on the web 2018-03-15 17:48:45 +00:00
Guido Cossu 38f93f7e12 Adding pdf generation capabilities 2018-03-15 17:01:59 +00:00
Guido Cossu 7c51dc07f1 Adding support for Skylake AVX512 for GCC 2018-01-28 17:01:33 +01:00
Guido Cossu 4931505e5a Small correction in the HMC 2017-05-12 11:17:16 +01:00
Guido Cossu 2099047b06 Updating for version 0.7.0. Adding HMC docs 2017-05-12 11:10:36 +01:00
Guido Cossu 0fb307ae17 Adding SITMO reference 2017-02-02 10:14:54 +00:00
Guido Cossu 2b100d76f2 Adding one flag in comms 2016-11-08 13:59:22 +00:00
Guido Cossu 04160eaa30 Adding more details on the travis tests 2016-11-08 10:11:18 +00:00
Guido Cossu 6cb9d2935f Adding images and more comment on Travis 2016-11-07 11:36:47 +00:00
Guido Cossu ac7f845583 Small change in naming of the pages 2016-11-04 19:26:48 +00:00
Guido Cossu ff057145b4 Adding Dslash flags explanation 2016-11-04 19:20:14 +00:00
Guido Cossu 9fdb209b7e Dropping the logo 2 2016-11-04 16:46:00 +00:00
Guido Cossu 2d324f53cc Dropping the logo 2016-11-04 16:44:34 +00:00
Guido Cossu f250133dc5 Debugging octicon 2016-11-04 16:31:34 +00:00
Guido Cossu 8d61a552e4 Debug again 2016-11-04 16:30:27 +00:00
Guido Cossu 84cac60ca9 Other debug 2016-11-04 16:27:26 +00:00
Guido Cossu dfd7a2e86e Debugging bug_Report file 2016-11-04 16:16:38 +00:00
Guido Cossu 23666f20c1 Update of Gemfile 2016-11-04 16:14:11 +00:00
Guido Cossu 44f33e47d7 Cleaning the readme file 2016-11-04 16:10:40 +00:00
Guido Cossu b1bd88cfba Adding the initial documentation 2016-11-04 16:07:25 +00:00
Guido Cossu d63110d26f Revert pygments to rouge 2016-10-31 10:03:53 +00:00
Guido Cossu a170855d84 Adding local config file for testing purposes 2016-10-31 10:01:30 +00:00
Guido Cossu 416bd9a874 Correcting the quick start 2016-10-30 16:56:30 +00:00
Guido Cossu bc9427c38c Quick-start guide 2016-10-30 16:53:01 +00:00
Guido Cossu 188d9472da Base url 2016-10-26 17:03:32 +01:00
Guido Cossu dc6951f43e Other commit 2016-10-26 17:01:58 +01:00
Guido Cossu 2deeef622b Change in the config.yml 2016-10-26 16:45:33 +01:00
Guido Cossu 8ec1950718 Refactoring of the gh pages 2016-10-26 16:35:05 +01:00
Guido Cossu dc942d5d56 Added github pages support to Jekyll 2016-10-12 16:07:58 +01:00
Guido Cossu b3de0f922a More tests on jekyll 2016-10-12 12:21:42 +01:00
Guido Cossu 3c0931cca9 Adding full Jekyll site 2016-10-12 12:10:54 +01:00
Guido Cossu d75906f517 Adding Jekyll support 2016-10-11 17:12:54 +01:00
Guido Cossu c354838200 Deleting travis CI by now 2016-10-11 17:02:26 +01:00
Guido Cossu 3292924e6e First commit on gh-pages 2016-10-11 17:02:01 +01:00
1759 changed files with 24879 additions and 309730 deletions

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name: Bug report
description: Report a bug.
title: "<insert title>"
labels: [bug]
body:
- type: markdown
attributes:
value: >
Thank you for taking the time to file a bug report.
Please check that the code is pointing to the HEAD of develop
or any commit in master which is tagged with a version number.
- type: textarea
attributes:
label: "Describe the issue:"
description: >
Describe the issue and any previous attempt to solve it.
validations:
required: true
- type: textarea
attributes:
label: "Code example:"
description: >
If relevant, show how to reproduce the issue using a minimal working
example.
placeholder: |
<< your code here >>
render: shell
validations:
required: false
- type: textarea
attributes:
label: "Target platform:"
description: >
Give a description of the target platform (CPU, network, compiler).
Please give the full CPU part description, using for example
`cat /proc/cpuinfo | grep 'model name' | uniq` (Linux)
or `sysctl machdep.cpu.brand_string` (macOS) and the full output
the `--version` option of your compiler.
validations:
required: true
- type: textarea
attributes:
label: "Configure options:"
description: >
Please give the exact configure command used and attach
`config.log`, `grid.config.summary` and the output of `make V=1`.
render: shell
validations:
required: true
+6 -120
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# Doxygen stuff
html/*
latex/*
# Exclude directories
_site
.sass-cache
.jekyll-metadata
pdf
# Compiled Object files #
#########################
*.slo
*.lo
*.o
*.obj
# Editor files #
################
# Exclude backup files
*~
*#
*.sublime-*
# Precompiled Headers #
#######################
*.gch
*.pch
# Compiled Dynamic libraries #
##############################
*.so
*.dylib
*.dll
# Fortran module files #
########################
*.mod
# Compiled Static libraries #
#############################
*.lai
*.la
*.a
*.lib
# Executables #
###############
*.exe
*.out
*.app
# http://www.gnu.org/software/automake #
########################################
Makefile.in
Makefile
Config.h
Config.h.in
config.log
config.status
.deps
Make.inc
eigen.inc
Eigen.inc
# http://www.gnu.org/software/autoconf #
########################################
autom4te.cache
aclocal.m4
compile
configure
depcomp
install-sh
missing
stamp-h1
config.sub
config.guess
INSTALL
.dirstamp
ltmain.sh
# Logs and databases #
######################
*.log
*.sql
*.sqlite
# OS generated files #
######################
.DS_Store
.DS_Store?
._*
.Spotlight-V100
.Trashes
ehthumbs.db
Thumbs.db
.dirstamp
# build directory #
###################
build*/*
Documentation/_build
# IDE related files #
#####################
*.xcodeproj/*
build.sh
.vscode
*.code-workspace
# Eigen source #
################
Grid/Eigen
Eigen/*
# libtool macros #
##################
m4/lt*
m4/libtool.m4
# github pages #
################
gh-pages/
# generated sources #
#####################
Grid/qcd/spin/gamma-gen/*.h
Grid/qcd/spin/gamma-gen/*.cc
Grid/util/Version.h
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Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: Peter Boyle <peterboyle@MacBook-Pro.local>
Author: paboyle <paboyle@ph.ed.ac.uk>
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///////////////////////////////////////////////////////////////////////////////
// Which rocBLAS kernel does the coarse multigrid GEMM get, and is a better
// one available?
//
// The coarse operator issues a batched complex GEMM per stencil point with
// M = K = nbasis, N = Nrhs and batch = the local coarse volume. Traces of a
// production run show the complex-single kernel taking as long as the
// complex-double one while reading half the bytes, and the kernel names say
// why: the library picks a 64x64 macro tile for single and 16x16 for double,
// while the output block is only nbasis x Nrhs. At nbasis 16 single
// precision comes out absolutely slower than double.
//
// hipBLAS offers no way to override that choice, but rocBLAS's extended
// entry point takes a solution index. This walks the indices, keeps the ones
// the library accepts for this problem, times each, and prints them against
// the default heuristic. No Grid, no MPI: one GPU, a few seconds.
//
// hipcc -O3 -std=c++17 RocblasSolutionSweep.cc -lrocblas -lamdhip64 \
// -o RocblasSolutionSweep
// ./RocblasSolutionSweep [nbasis] [nrhs] [batch]
//
// If the accepted solutions include one roughly twice the double-precision
// rate, the application can select it by index and the tuning gap is ours to
// close. If none does, the gap is the library's, and this output is the
// report.
///////////////////////////////////////////////////////////////////////////////
#include <cstdio>
#include <cstdlib>
#include <vector>
#include <string>
#include <algorithm>
#include <sys/time.h>
#include <hip/hip_runtime.h>
#include <rocblas/rocblas.h>
static double usecond(void)
{
struct timeval tv; gettimeofday(&tv,NULL);
return 1.0e6*tv.tv_sec + 1.0*tv.tv_usec;
}
#define HIP_CHECK(x) do { hipError_t e=(x); if(e!=hipSuccess){ printf("HIP error %s at line %d\n",hipGetErrorString(e),__LINE__); exit(1);} } while(0)
struct Result { int index; double gflops; double gbs; };
// One shape, one datatype, every solution index the library accepts.
static void sweep(rocblas_handle handle,
rocblas_datatype type, const char *name, size_t elembytes,
int M,int N,int K,int BATCH,int maxindex,int ncall)
{
// Device data. Contents are irrelevant to the timing; the shapes are not.
void *A,*B,*C;
HIP_CHECK(hipMalloc(&A,(size_t)M*K*BATCH*elembytes));
HIP_CHECK(hipMalloc(&B,(size_t)K*N*BATCH*elembytes));
HIP_CHECK(hipMalloc(&C,(size_t)M*N*BATCH*elembytes));
HIP_CHECK(hipMemset(A,0,(size_t)M*K*BATCH*elembytes));
HIP_CHECK(hipMemset(B,0,(size_t)K*N*BATCH*elembytes));
HIP_CHECK(hipMemset(C,0,(size_t)M*N*BATCH*elembytes));
// Pointer arrays, as the batched interface wants them, on the device.
std::vector<void *> hA(BATCH),hB(BATCH),hC(BATCH);
for(int b=0;b<BATCH;b++){
hA[b] = (char *)A + (size_t)b*M*K*elembytes;
hB[b] = (char *)B + (size_t)b*K*N*elembytes;
hC[b] = (char *)C + (size_t)b*M*N*elembytes;
}
void **dA,**dB,**dC;
HIP_CHECK(hipMalloc(&dA,BATCH*sizeof(void*)));
HIP_CHECK(hipMalloc(&dB,BATCH*sizeof(void*)));
HIP_CHECK(hipMalloc(&dC,BATCH*sizeof(void*)));
HIP_CHECK(hipMemcpy(dA,&hA[0],BATCH*sizeof(void*),hipMemcpyHostToDevice));
HIP_CHECK(hipMemcpy(dB,&hB[0],BATCH*sizeof(void*),hipMemcpyHostToDevice));
HIP_CHECK(hipMemcpy(dC,&hC[0],BATCH*sizeof(void*),hipMemcpyHostToDevice));
// alpha = beta = 1: the stencil accumulates into C, so C is read as well
// as written and the traffic below counts it twice.
double alpha_d[2] = {1.0,0.0}, beta_d[2] = {1.0,0.0};
float alpha_f[2] = {1.0f,0.0f}, beta_f[2] = {1.0f,0.0f};
const void *alpha = (type==rocblas_datatype_f64_c) ? (const void *)alpha_d : (const void *)alpha_f;
const void *beta = (type==rocblas_datatype_f64_c) ? (const void *)beta_d : (const void *)beta_f;
double flops = 8.0*M*N*K*BATCH; // complex madd
double bytes = (double)elembytes*((double)M*K + (double)K*N + 2.0*(double)M*N)*BATCH;
auto run = [&](rocblas_gemm_algo algo,int solution)->double
{
rocblas_status st = rocblas_gemm_batched_ex(handle,
rocblas_operation_none, rocblas_operation_none,
M,N,K, alpha,
(const void *)dA, type, M,
(const void *)dB, type, K, beta,
(const void *)dC, type, M,
(void *)dC, type, M,
BATCH, type, algo, solution, 0);
if ( st != rocblas_status_success ) return -1.0;
HIP_CHECK(hipDeviceSynchronize());
double t0=usecond();
for(int i=0;i<ncall;i++){
rocblas_gemm_batched_ex(handle,
rocblas_operation_none, rocblas_operation_none,
M,N,K, alpha,
(const void *)dA, type, M,
(const void *)dB, type, K, beta,
(const void *)dC, type, M,
(void *)dC, type, M,
BATCH, type, algo, solution, 0);
}
HIP_CHECK(hipDeviceSynchronize());
return (usecond()-t0)/ncall;
};
printf("\n=== %s : M=%d N=%d K=%d batch=%d ===\n",name,M,N,K,BATCH);
double tdef = run(rocblas_gemm_algo_standard,0);
printf(" default heuristic : %8.1f Gflop/s %8.1f GB/s (%.3f ms)\n",
flops/tdef/1.0e3, bytes/tdef/1.0e3, tdef/1.0e3);
// The extended call only accepts indices the library has itself listed for
// this problem, so ask it for the list rather than guessing. If this does
// not compile, check the argument order in rocblas.h: the enumeration call
// has moved an argument or two between releases.
rocblas_int nsol = 0;
rocblas_status qst = rocblas_gemm_batched_ex_get_solutions(handle,
rocblas_operation_none, rocblas_operation_none,
M,N,K, alpha,
(const void *)dA, type, M,
(const void *)dB, type, K, beta,
(const void *)dC, type, M,
(void *)dC, type, M,
BATCH, type, rocblas_gemm_flags_none,
NULL, &nsol);
std::vector<rocblas_int> sols;
if ( qst == rocblas_status_success && nsol > 0 ) {
sols.resize(nsol);
rocblas_gemm_batched_ex_get_solutions(handle,
rocblas_operation_none, rocblas_operation_none,
M,N,K, alpha,
(const void *)dA, type, M,
(const void *)dB, type, K, beta,
(const void *)dC, type, M,
(void *)dC, type, M,
BATCH, type, rocblas_gemm_flags_none,
&sols[0], &nsol);
} else {
// Older library: fall back to probing indices.
for(int s=1;s<=maxindex;s++) sols.push_back(s);
}
std::vector<Result> ok;
for(size_t i=0;i<sols.size();i++){
double t = run(rocblas_gemm_algo_solution_index,sols[i]);
if ( t < 0 ) continue; // library rejects it for this problem
ok.push_back({(int)sols[i],flops/t/1.0e3,bytes/t/1.0e3});
}
printf(" library lists %d solution(s) for this problem\n",(int)sols.size());
std::sort(ok.begin(),ok.end(),[](const Result &a,const Result &b){ return a.gflops>b.gflops; });
printf(" %d solutions accepted of %d tried\n",(int)ok.size(),maxindex);
for(int i=0;i<(int)ok.size() && i<8;i++){
printf(" solution %5d : %8.1f Gflop/s %8.1f GB/s\n",
ok[i].index,ok[i].gflops,ok[i].gbs);
}
if ( ok.size() ) {
printf(" best/default : %.2f\n", ok[0].gflops*tdef*1.0e3/flops);
}
HIP_CHECK(hipFree(dA)); HIP_CHECK(hipFree(dB)); HIP_CHECK(hipFree(dC));
HIP_CHECK(hipFree(A)); HIP_CHECK(hipFree(B)); HIP_CHECK(hipFree(C));
}
int main(int argc,char **argv)
{
int nbasis = (argc>1) ? atoi(argv[1]) : 60;
int nrhs = (argc>2) ? atoi(argv[2]) : 12;
int batch = (argc>3) ? atoi(argv[3]) : 1024;
int maxidx = (argc>4) ? atoi(argv[4]) : 400;
rocblas_handle handle;
rocblas_create_handle(&handle);
rocblas_set_pointer_mode(handle,rocblas_pointer_mode_host);
printf("rocBLAS solution sweep: the coarse stencil GEMM shape\n");
printf("nbasis %d, Nrhs %d, batch %d, solution indices 1..%d\n",nbasis,nrhs,batch,maxidx);
printf("(batch is the LOCAL coarse volume; x9 is the grouped call)\n");
sweep(handle,rocblas_datatype_f32_c,"complex single",8, nbasis,nrhs,nbasis,batch,maxidx,20);
sweep(handle,rocblas_datatype_f64_c,"complex double",16,nbasis,nrhs,nbasis,batch,maxidx,20);
rocblas_destroy_handle(handle);
return 0;
}
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mpicxx -qmkl=parallel -fsycl BatchBlasBench.cc -o BatchBlasBench -DGRID_SYCL
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CXX=hipcc
MPICXX=mpicxx
CXXFLAGS="-fPIC -I{$ROCM_PATH}/include/ -I${MPICH_DIR}/include -L/lib64 -I/opt/cray/pe/mpich/8.1.28/ofi/gnu/12.3/include -DGRID_HIP"
LDFLAGS="-L/lib64 -L${MPICH_DIR}/lib -lmpi -L${CRAY_MPICH_ROOTDIR}/gtl/lib -lmpi_gtl_hsa -lamdhip64 -lhipblas -lrocblas -lmpi_gnu_123"
hipcc $CXXFLAGS $LDFLAGS BatchBlasBench.cc -o BatchBlasBench
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mpicxx -qmkl=parallel -fsycl BatchBlasBench.cc -o BatchBlasBench -DGRID_SYCL
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## [3.4.8](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.4.8)
### Enhancements
- Improve type readability for larger viewports by bumping up base `font-size`. [#533](https://github.com/mmistakes/minimal-mistakes/issues/533)
- Update Portuguese localized UI text. [#541](https://github.com/mmistakes/minimal-mistakes/pull/541)
- Add `page.title` and via parameter to Twitter share link. [#538](https://github.com/mmistakes/minimal-mistakes/pull/538)
### Bug Fixes
- Fix Last.fm author profile URL. [#540](https://github.com/mmistakes/minimal-mistakes/pull/540)
### Maintenance
- Move Brazilian Portuguese localized text under `pt-BR` key.
## [3.4.7](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.4.7)
### Enhancements
- Add `layout` based and user-defined class names to `<body>` element for added CSS hooks. [#526](https://github.com/mmistakes/minimal-mistakes/pull/526)
- Add simplified Chinese localized UI text. [#532](https://github.com/mmistakes/minimal-mistakes/pull/532)
### Bug Fixes
- Remove duplicate include of `base_path` in category-list.html [#522](https://github.com/mmistakes/minimal-mistakes/pull/522)
## [3.4.6](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.4.6)
### Enhancements
- Add Italian "comments" related localized UI text. [#514](https://github.com/mmistakes/minimal-mistakes/pull/514)
### Bug Fixes
- Disable `compress` HTML layout by default. To enable add `layout: compress` to `_layouts/default.html`.
## [3.4.5](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.4.5)
### Enhancements
- Improve line numbered code block styling when using `{% highlight linenos %}` tag. [#513](https://github.com/mmistakes/minimal-mistakes/issues/513)
- Add English fallback to "Follow" button label. [#496](https://github.com/mmistakes/minimal-mistakes/pull/496)
### Bug Fixes
- Fix Firefox alignment issues with code blocks generated with the `{% highlight %}` tag. [#512](https://github.com/mmistakes/minimal-mistakes/issues/512)
### Maintenance
- Clarified comment for `author.stackoverflow` value used in author sidebar links. [#487](https://github.com/mmistakes/minimal-mistakes/pull/487)
- Add list of localized text strings. [#488](https://github.com/mmistakes/minimal-mistakes/pull/488)
- Add `{% highlight %}` code block examples to demo site.
- Add documentation for using custom sidebar navigation menus. [#476](https://github.com/mmistakes/minimal-mistakes/issues/476)
## [3.4.4](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.4.4)
### Enhancements
- Add French "comments" related localized UI text. [#472](https://github.com/mmistakes/minimal-mistakes/pull/472)
### Bug Fixes
- Exclude `vendor` in Jekyll config file.
- Fix Liquid syntax error for offending parenthesis. [#479](https://github.com/mmistakes/minimal-mistakes/issues/479)
### Maintenance
- Update gems: `colorator` (1.1.0), `forwardable-extended` (2.6.0), `github-pages` (93), `jekyll` (= 3.2.1), `minima` (= 1.0.1).
## [3.4.3](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.4.3)
### Enhancements
- Make ["honeypot" `input`](https://github.com/mmistakes/minimal-mistakes/commit/06a8249a69a37dddda7e2a5bfbe32056c1a9a607) in Staticman comment form less obvious to spam bots
- Add padding to `.highlight` code blocks to better [align `overflow` scrollbar](https://github.com/mmistakes/minimal-mistakes/commit/e4abec0a6f7f8cff72505ca0754615df294fd5b3) to the bottom.
- Add additional image options for Twitter card social sharing meta tags. [#466](https://github.com/mmistakes/minimal-mistakes/pull/466)
- Add structured data markup for Staticman comments. [#458](https://github.com/mmistakes/minimal-mistakes/issues/458)
### Bug Fixes
- Format `og:locale` tag with `_` instead of `-`. [#462](https://github.com/mmistakes/minimal-mistakes/issues/462)
### Maintenance
- Add note to docs about using `url: http://localhost:4000` when working locally.
## [3.4.2](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.4.2)
### Enhancements
- Improve UX of static comment forms. [#448](https://github.com/mmistakes/minimal-mistakes/issues/448)
## [3.4.1](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.4.1)
### Enhancements
- Add `staticman.filename` configuration with UNIX timestamp for sorting data files. example ~> `comment-1470943149`.
### Bug Fixes
- Don't add `<a>` to author name if URL is blank.
## [3.4.0](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.4.0)
### Enhancements
- Support static-based commenting via [Staticman](https://staticman.net/) for sites hosted with GitHub Pages. [#424](https://github.com/mmistakes/minimal-mistakes/issues/424)
## [3.3.7](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.3.7)
### Bug Fixes
- Re-enabled Jekyll plugins in `_config.yml` in case they aren't autoloaded in `Gemfile`. [#417](https://github.com/mmistakes/minimal-mistakes/issues/417)
### Enhancements
- Fallback to `site.github.url` for use in `{{ base_path }}` when `site.url` is `nil`.
- Replace Sass and Autoprefixer `npm` build scripts with [Jekyll's built-in asset support](https://jekyllrb.com/docs/assets/). [#333](https://github.com/mmistakes/minimal-mistakes/issues/333)
### Maintenance
- Document `site.repository` and its role with [`github-metadata`](https://github.com/jekyll/github-metadata) gem.
- Add sample [archive page with content](https://mmistakes.github.io/minimal-mistakes/archive-layout-with-content/) for testing styles on demo site.
## [3.3.6](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.3.6)
### Bug Fixes
- Fix blank `site.teaser` bug. [#412](https://github.com/mmistakes/minimal-mistakes/issues/412)
## [3.3.5](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.3.5)
### Enhancements
- Add English default text `site.locale` strings. [#407](https://github.com/mmistakes/minimal-mistakes/issues/407)
- Add Portuguese localized UI text. [#411](https://github.com/mmistakes/minimal-mistakes/pull/411)
- Add Italian localized UI text. [#409](https://github.com/mmistakes/minimal-mistakes/pull/409)
### Maintenance
- Remove unused Google AdSense variables in `_config.yml`. [#404](https://github.com/mmistakes/minimal-mistakes/issues/404)
- Update `Gemfile` instructions for using `github-pages` vs. native `jekyll` gems.
- Disable `gems:` in `_config.yml` and enable plugins with Bundler instead.
- Add `repository` to `_config.yml` to suppress GitHub Pages error `Liquid Exception: No repo name found.`
## [3.3.4](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.3.4)
### Enhancements
- Add support for configurable feed URL to use a service like FeedBurner instead of linking directly to `feed.xml` in `<head>` and the site footer. [#378](https://github.com/mmistakes/minimal-mistakes/issues/378), [#379](https://github.com/mmistakes/minimal-mistakes/pull/379), [#406](https://github.com/mmistakes/minimal-mistakes/pull/406)
- Add Turkish localized UI text. [#403](https://github.com/mmistakes/minimal-mistakes/pull/403)
### Maintenance
- Update gems: `activesupport` (4.2.7), `ffi` (1.9.14), `github-pages` (88), `jekyll-redirect-from` (0.11.0), `jekyll-watch` (1.5.0).
## [3.3.3](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.3.3)
### Enhancements
- Make footer stick to the bottom of the page.
### Bug Fixes
- Fix `gallery` size bug [#402](https://github.com/mmistakes/minimal-mistakes/issues/402)
### Maintenance
- Set default `lang` to `en`.
## [3.3.2](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.3.2)
### Bug Fixes
- Fix JavaScript that triggers "sticky" sidebar to avoid layout issues on screen sizes < `1024px`. [#396](https://github.com/mmistakes/minimal-mistakes/issues/396)
## [3.3.1](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.3.1)
### Enhancements
- Enable image popup on < 500px wide screens. [#385](https://github.com/mmistakes/minimal-mistakes/issues/385)
- Indicate the relationship between component URLs in a paginated series by applying `rel="prev"` and `rel="next"` to pages that use `site.paginator`. [#253](https://github.com/mmistakes/minimal-mistakes/issues/253)
- Improve link posts in archive listings. [#276](https://github.com/mmistakes/minimal-mistakes/issues/276)
### Maintenance
- Update gems: `github-pages` (86), `ffi` 1.9.13, `jekyll-mentions` 1.1.3, and `rouge` 1.11.1
- Fix note about custom sidebar content appearing below author profile. [#388](https://github.com/mmistakes/minimal-mistakes/issues/388)
## [3.2.13](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.13)
### Enhancements
- Add English default UI text for Canada, Great Britain, and Australia. [#377](https://github.com/mmistakes/minimal-mistakes/issues/377)
- Switch default locale from `en-US` to `en`.
## [3.2.12](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.12)
### Enhancements
- Remove window width "magic number" from sticky sidebar check in `main.js` for improved flexibility. [#375](https://github.com/mmistakes/minimal-mistakes/pull/375)
### Bug Fixes
- Fix author override conditional where a missing `authors.yml` would show broken sidebar content. Defaults to `site.author`. [#376](https://github.com/mmistakes/minimal-mistakes/pull/376)
## [3.2.11](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.11)
### Bug Fixes
- Fix disappearing author sidebar links [#372](https://github.com/mmistakes/minimal-mistakes/issues/372)
### Maintenance
- Update gems: `github-pages` (84), `jekyll-github-metadata` 2.0.2, and `kramdown` 1.11.1
- Update vendor JavaScript: jQuery 1.12.4, Stickyfill.js 1.1.4
- Update Font Awesome 4.6.3
## [3.2.10](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.10)
### Maintenance
- Add `CONTRIBUTING.md`
## [3.2.9](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.9)
### Enhancements
- Add support for [header overlay images](https://mmistakes.github.io/minimal-mistakes/docs/layouts/#header-overlay) for Open Graph images. [#358](https://github.com/mmistakes/minimal-mistakes/pull/358)
### Bug Fixes
- Fix `Person` typo Schema.org type [#358](https://github.com/mmistakes/minimal-mistakes/pull/358)
### Maintenance
- Update `github-pages` gem and dependencies.
- Remove `minutes_read` to avoid awkward reading time wording [#356](https://github.com/mmistakes/minimal-mistakes/issues/356)
## [3.2.8](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.8)
### Bug Fixes
- Remove `cursor: pointer` that appears on white-space surrounding author side list items and links. [#354](https://github.com/mmistakes/minimal-mistakes/pull/354)
### Maintenance
- Add contributing information to `README.md`. [#357](https://github.com/mmistakes/minimal-mistakes/issues/357)
## [3.2.7](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.7)
### Enhancements
- Add French localized UI text. [#346](https://github.com/mmistakes/minimal-mistakes/pull/346)
### Bug Fixes
- Fix branch logic for Yandex and Alexa in `seo.html`. [#348](https://github.com/mmistakes/minimal-mistakes/pull/348)
## [3.2.6](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.6)
### Bug Fixes
- Fix error `Liquid Exception: divided by 0 in _includes/archive-single.html, included in _layouts/single.html` caused by null `words_per_minute` in `_config.yml`. [#345](https://github.com/mmistakes/minimal-mistakes/pull/345)
## [3.2.5](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.5)
### Bug Fixes
- Fix link color in hero overlay to be white.
- Remove underlines from archive item titles.
## [3.2.4](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.4)
### Enhancements
- Improve text alignment of masthead, hero overlay, page footer to be flush left and remove awkward white-space gaps. [#342](https://github.com/mmistakes/minimal-mistakes/issues/342)
- Add Spanish localized UI text. [#338](https://github.com/mmistakes/minimal-mistakes/pull/338)
### Bug Fixes
- Fix alignment of icons in author sidebar [#341](https://github.com/mmistakes/minimal-mistakes/issues/341)
### Maintenance
- Add background color to page footer to set it apart from main content. [#342](https://github.com/mmistakes/minimal-mistakes/issues/342)
- Add terms and privacy policy to theme's demo site. [#343](https://github.com/mmistakes/minimal-mistakes/issues/343)
- Update screenshots found in theme documentation.
## [3.2.3](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.3)
### Enhancements
- Add [Discourse](https://www.discourse.org/) as a commenting provider. [#335](https://github.com/mmistakes/minimal-mistakes/pull/335)
## [3.2.2](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.2)
### Enhancements
- Add support for image captions in Magnific Popup overlays via the [`gallery`](https://mmistakes.github.io/minimal-mistakes/docs/helpers/#gallery) helper. [#334](https://github.com/mmistakes/minimal-mistakes/issues/334)
## [3.2.1](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.1)
### Bug Fixes
- Remove need for "double tapping" masthead menu links on iOS devices. [#315](https://github.com/mmistakes/minimal-mistakes/issues/315)
### Maintenance
- Add `ISSUE_TEMPLATE.md` for improve issue submission process.
## [3.2.0](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.2.0)
### Bug Fixes
- Fix missing category/tag links in post footer due to possible conflict with `site.tags` and `site.categories`. [#329](https://github.com/mmistakes/minimal-mistakes/issues/329#issuecomment-222375568)
## [3.1.8](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.1.8)
### Bug Fixes
- Fix `Liquid Exception: undefined method 'gsub' for nil:NilClass in _layouts/single.html` error when `page.title` is null. `<h1>` element is now conditional if `title: ` is not set for a `page` or collection item. [#312](https://github.com/mmistakes/minimal-mistakes/issues/312)
### Maintenance
- Remove duplicate `fa-twitter` and `fa-twitter-square` classes from `_utilities.scss`. [#302](https://github.com/mmistakes/minimal-mistakes/issues/302)
- Document installing additional Jekyll gem dependencies when using `gem "jekyll"` instead of `gem "github-pages"` to avoid any errors on run. [#305](https://github.com/mmistakes/minimal-mistakes/issues/305)
## [3.1.7](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.1.7)
### Enhancements
- Add translation key for "Recent Posts" used in home page `index.html`. [#316](https://github.com/mmistakes/minimal-mistakes/pull/316)
### Maintenance
- Small fix to avoid underlying the whitespace between icons and related text when hovering. [#303](https://github.com/mmistakes/minimal-mistakes/pull/303)
## [3.1.6](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.1.6)
### Maintenance
- Update gem dependencies. Run `bundle` to update `Gemfile.lock`.
## [3.1.5](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.1.5)
### Maintenance
- Fix `www` and `https` links in author profile include [#293](https://github.com/mmistakes/minimal-mistakes/pull/293)
## [3.1.4](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.1.4)
### Enhancements
- Add overlay_filter param to hero headers [#298](https://github.com/mmistakes/minimal-mistakes/pull/298)
## [3.1.3](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.1.3)
### Enhancements
- Improve `site.locale` documentation [#284](https://github.com/mmistakes/minimal-mistakes/issues/284)
- Remove ProTip note about protocol-less `site.url` as it is an anti-pattern [#288](https://github.com/mmistakes/minimal-mistakes/issues/288)
### Bug Fixes
- Fix `og_image` URL in seo.html [#277](https://github.com/mmistakes/minimal-mistakes/issues/277)
- Fix `author_profile` toggle when assigned in a `_layout` [#285](https://github.com/mmistakes/minimal-mistakes/issues/285)
- Fix typo in `build:all` npm script [#283](https://github.com/mmistakes/minimal-mistakes/pull/283)
- Fix URL typo documentation [#287](https://github.com/mmistakes/minimal-mistakes/issues/287)
- SEO author bug. If `twitter.username` is set and `author.twitter` is `nil` bad things happen. [#289](https://github.com/mmistakes/minimal-mistakes/issues/289)
## [3.1.2](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.1.2)
### Enhancements
- Explain how to use `nav_list` helper in [documentation](https://mmistakes.github.io/minimal-mistakes/docs/helpers/#navigation-list).
- Reduce left/right padding on smaller screens to increase width of main content column.
### Bug Fixes
- Fix alignment issues with related posts [#273](https://github.com/mmistakes/minimal-mistakes/issues/273) and "Follow" button in author profile [#274](https://github.com/mmistakes/minimal-mistakes/issues/274).
## [3.1.1](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.1.1)
### Bug Fix
- Fixed reading time bug when `words_per_minute` wasn't set in `_config.yml` [#271](https://github.com/mmistakes/minimal-mistakes/issues/271)
## [3.1.0](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.1.0)
### Enhancements
- Updated [Font Awesome](https://fortawesome.github.io/Font-Awesome/whats-new/) to version 4.6.1
- Added optional GitHub and Bitbucket links to footer if set on `site.author` in `_config.yml`.
### Bug Fixes
- Fixed Bitbucket URL typo in author sidebar.
## [3.0.3](https://github.com/mmistakes/minimal-mistakes/releases/tag/3.0.3)
### Enhancements
- Rebuilt the entire theme: layouts, includes, stylesheets, scripts, you name it.
- Refreshed the look and feel while staying true to the original design of the theme (author sidebar/main content).
- Replaced grid system with [Susy](http://susy.oddbird.net/).
- Replaced Grunt tasks with `npm` scripts.
- Removed Google Fonts and replaced with system fonts to improve performance (they can be [added back](https://mmistakes.github.io/minimal-mistakes/docs/stylesheets/) if desired)
- Greatly improved [theme documentation](https://mmistakes.github.io/minimal-mistakes/docs/quick-start-guide/).
- Increased the amount of sample posts, sample pages, and sample collections to throughly test the theme and edge-cases.
- Moved all sample content and assets out of `master` to keep it as clean as possible for forking.
- Added new layouts for `splash` pages, archives for [`jekyll-archives`](https://github.com/jekyll/jekyll-archives) if enabled, and [`compress.html`](https://github.com/penibelst/jekyll-compress-html) to improve performance.
- Added taxonomy links to posts (tags and categories).
- Added optional "reading time" meta data.
- Improved Liquid used for Twitter Cards and Open Graph data in `<head>`.
- Improved `gallery` include helper and added `feature_row` for use with splash page layout.
- Added Keybase.io, author web URI, and Bitbucket optional links to sidebar.
- Add `feed.xml` link to footer.
- Added a [UI text data file](https://mmistakes.github.io/minimal-mistakes/docs/ui-text/) to easily change all text found in the theme.
- Added LinkedIn to optional social share buttons.
- Added Facebook, Google+, and custom commenting options in addition to Disqus.
- Added optional breadcrumb links.
## [2.2.1](https://github.com/mmistakes/minimal-mistakes/releases/tag/2.2.1)
## [2.2.0](https://github.com/mmistakes/minimal-mistakes/releases/tag/2.2.0)
### Enhancements
- Add support for Jekyll 3.0
- Minor updates to syntax highlighting CSS and theme documentation
## [2.1.3](https://github.com/mmistakes/minimal-mistakes/releases/tag/2.1.3)
### Enhancements
- Cleaner print styles that remove the top navigation, social sharing buttons, and other elements not needed when printed.
## [2.1.2](https://github.com/mmistakes/minimal-mistakes/releases/tag/2.1.2)
### Enhancements
- Add optional CodePen icon/url to author side bar [#156](https://github.com/mmistakes/minimal-mistakes/pull/156)
- Documented Stackoverflow username explanation in `_config.yml` [#157](https://github.com/mmistakes/minimal-mistakes/pull/157)
- Simplified Liquid in `post-index.html` to better handle year listings [#166](https://github.com/mmistakes/minimal-mistakes/pull/166)
### Bug Fixes
- Cleanup Facebook related Open Graph meta tags [#149](https://github.com/mmistakes/minimal-mistakes/issues/149)
- Corrected minor typos [#158](https://github.com/mmistakes/minimal-mistakes/pull/158) [#175](https://github.com/mmistakes/minimal-mistakes/issues/175)
## [2.1.1](https://github.com/mmistakes/minimal-mistakes/releases/tag/2.1.1)
### Enhancements
- Add optional XING profile link to author sidebar
- Include open graph meta tags for feature image (if assigned) [#149](https://github.com/mmistakes/minimal-mistakes/issues/149)
- Create an include for feed footer
### Bug Fixes
- Remove http protocol from Google search form on sample 404 page
- Only show related posts if there are one or more available
- Fix alignment of email address link in author sidebar
## [2.1.0](https://github.com/mmistakes/minimal-mistakes/releases/tag/2.1.0)
### Enhancements
- Add optional social sharing buttons ([#42](https://github.com/mmistakes/minimal-mistakes/issues/42))
![social sharing buttons](https://cloud.githubusercontent.com/assets/1376749/5860522/d9f28a96-a22f-11e4-9b83-940a3a9a766a.png)
- Add Soundcloud, YouTube ([#95](https://github.com/mmistakes/minimal-mistakes/pull/95)), Flickr ([#119](https://github.com/mmistakes/minimal-mistakes/pull/119)), and Weibo ([#116](https://github.com/mmistakes/minimal-mistakes/pull/116)) icons for use in author sidebar.
- Fix typos in posts and documentation and remove references to Less
- Include note about Octopress gem being optional
- Post author override support extended to the Atom feed ([#71](https://github.com/mmistakes/minimal-mistakes/pull/71))
- Only include email address in feed if specified in `_config.yml` or author `_data`
- Wrap all page content in `#main` to harmonize article and post index styles ([#86](https://github.com/mmistakes/minimal-mistakes/issues/86))
- Include new sample feature images for posts and pages
- Table of contents improvements: fix collapse toggle, indent nested elements, show on small screens, and create an `_include` for reusing in posts and pages.
- Include note about running Jekyll with `bundle exec` when using Bundler
- Fix home page path in top navigation
- Remove Google Authorship ([#120](https://github.com/mmistakes/minimal-mistakes/issues/120))
- Remove duplicate author content that displayed in `div.article-author-bottom`
- Removed unused `_sass/print.scss` styles
- Improve comments in `.scss` files
## [2.0.0](https://github.com/mmistakes/minimal-mistakes/releases/tag/v2.0)
## [1.3.3](https://github.com/mmistakes/minimal-mistakes/releases/tag/1.3.3)
### Enhancements
- Added new icons and profile links for Stackoverflow, Dribbble, Pinterest, Foursquare, and Steam to the author bio sidebar.
- Cleaned up the Kramdown auto table of contents styling to be more readable
- Removed page width specific .less stylesheets and created mixins for easier updating
- Removed Modernizr since it wasn't being used
- Added pages to sitemap.xml
- Added category: to rake new_post task
- Minor typographic changes
### Bug Fixes
- Corrected various broken links in README and Theme Setup.
## [1.3.1](https://github.com/mmistakes/minimal-mistakes/releases/tag/1.3.1)
### Enhancements
- Cleaned up table of contents styling
- Reworked top navigation to be a better experience on small screens. Nav items now display vertically when the menu button is tapped, revealing links with larger touch targets.
![menu animation](https://camo.githubusercontent.com/3fbd8c1326485f4b1ab32c0005c0fca7660b5d31/68747470733a2f2f662e636c6f75642e6769746875622e636f6d2f6173736574732f313337363734392f323136343037352f31653366303663322d393465372d313165332d383961612d6436623636376562306564662e676966)
## [1.2.0](https://github.com/mmistakes/minimal-mistakes/releases/tag/1.2.0)
### Bug Fixes
- Table weren't filling the entire width of the content container. They now scale at 100%. Thanks [@dhruvbhatia](https://github.com/dhruvbhatia)
### Enhancements
- Decreased spacing between Markdown footnotes
- Removed dark background on footer
- Removed UPPERCASE styling on post titles in the index listing
## [1.1.4](https://github.com/mmistakes/minimal-mistakes/releases/tag/1.1.4)
### Bug Fixes
- Fix top navigation bug issue ([#10](https://github.com/mmistakes/minimal-mistakes/issues/10)) for real this time. Remember to clear your floats kids.
## [1.1.3](https://github.com/mmistakes/minimal-mistakes/releases/tag/1.1.3)
### Bug Fixes
- Fix top navigation links that weren't click able on small viewports (Issue [#10](https://github.com/mmistakes/minimal-mistakes/issues/10)).
- Remove line wrap from top navigation links that may span multiple lines.
## [1.1.2](https://github.com/mmistakes/minimal-mistakes/releases/tag/1.1.2)
### Enhancements
- Added Grunt build script for compiling Less/JavaScript and optimizing image assets.
- Added support for large image summary Twitter card.
- Stylesheet adjustments
## [1.1.1](https://github.com/mmistakes/minimal-mistakes/releases/tag/1.1.1)
### Bug Fixes
- Removed [Typeplate](http://typeplate.com/) styles. Was [causing issues with newer versions of Less](https://github.com/typeplate/typeplate.github.io/issues/108) and is no longer maintained.
### Enhancements
- Added [image attribution](http://mmistakes.github.io/minimal-mistakes/theme-setup/#feature-images) for post and page feature images.
- Added [404 page](http://mmistakes.github.io/minimal-mistakes/404.html).
- Cleaned up various Less variables to better align with naming conventions used in other MM Jekyll themes.
- Removed Chrome Frame references.
- Added global CSS3 transitions to text and block elements.
- Improved typography in a few places.
## [1.0.2](https://github.com/mmistakes/minimal-mistakes/releases/tag/v1.0.2)
### Enhancements
- Google Analytics, Google Authorship, webmaster verifies, and Twitter card meta are now optional.
## [1.0.1](https://github.com/mmistakes/minimal-mistakes/releases/tag/v1.0.1)
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# CLAUDE.md
This file provides guidance to Claude Code (claude.ai/code) when working with code in this repository.
## What This Is
Grid is a data-parallel C++ library for lattice QCD. It provides SIMD-vectorised lattice containers, MPI-based domain decomposition, GPU acceleration (CUDA/HIP/SYCL), and a full suite of QCD algorithms including HMC.
## Build
Uses GNU Autotools. The bootstrap step only needs to run once (or after `configure.ac` changes).
```bash
./bootstrap.sh # downloads Eigen 3.4.0, generates configure
mkdir build && cd build
../configure [options]
make -j$(nproc)
make check # run root-level tests
make install
```
Key configure options:
| Option | Common values |
|--------|---------------|
| `--enable-simd=` | `AVX2`, `AVX512`, `KNL`, `A64FX`, `NEONv8`, `GPU` |
| `--enable-comms=` | `mpi-auto`, `mpi3-auto`, `none` |
| `--enable-accelerator=` | `cuda`, `hip`, `sycl` |
| `--enable-shm=` | `shmopen`, `hugetlbfs`, `nvlink` |
| `--enable-Nc=` | `3` (default), `2`, `4`, `5` |
| `--with-gmp=`, `--with-mpfr=`, `--with-fftw=`, `--with-lime=` | paths to libs |
| `--enable-hdf5`, `--enable-mkl`, `--enable-lapack` | optional features |
GPU builds additionally need `--enable-gen-simd-width=64` (sets 512-bit SIMD width for GPU warp/wavefront sizing) and `--enable-unified=no --enable-shm=nvlink` for multi-GPU runs.
To speed up compilation, `--disable-fermion-reps --disable-gparity` skips instantiating G-parity and higher-representation fermion operators.
Platform recipes from `README.md`:
- **KNL**: `--enable-simd=KNL --enable-comms=mpi3-auto --enable-mkl`
- **Skylake/Haswell**: `--enable-simd=AVX512` or `AVX2` + `--enable-comms=mpi3-auto`
- **AMD EPYC**: `--enable-simd=AVX2 --enable-comms=mpi3`
- **A64FX (Fugaku)**: `--enable-simd=A64FX --enable-comms=mpi3 --enable-shm=shmget` (see `SVE_README.txt`)
Complete, working `configure` invocations for specific HPC systems (Frontier/ROCm, Perlmutter/CUDA, Summit, SDCC-A100, etc.) live in `systems/<platform>/config-command`. These are the canonical references for production builds.
Required external libs: GMP, MPFR, OpenSSL, zlib.
### Use `systems/` for real machines
`systems/<machine>/` holds the known-good build for each production platform (`Frontier`, `Aurora`, `Perlmutter`, `Summit`, `Tursa`, `Lumi`, `Booster`, `Crusher`, `SDCC-*`, `mac-arm`, …). Each contains a `config-command` (the exact `../../configure` invocation) and a `sourceme.sh` (module loads and env). **Prefer copying/adapting these over hand-rolling configure flags** — they encode compiler workarounds, `LDFLAGS`, and shared-memory settings that are easy to get wrong. `systems/WorkArounds.txt` records known vendor bugs.
Note the GPU builds use `--enable-simd=GPU --enable-gen-simd-width=64`, so `Nsimd` is *not* 1 on device (it is `64/sizeof(scalar)`).
### Regenerating `Make.inc` — required after adding or deleting source files
`Make.inc` files are generated, not tracked in git (`.gitignore`d). `scripts/filelist` walks `Grid/`, `tests/*`, `benchmarks/`, `examples/`, and `HMC/` and writes the file lists and per-test `bin_PROGRAMS` rules. Every new `.cc`/`.h` in `Grid/`, and every new `Test_*.cc` / `Benchmark_*.cc` / `Example_*.cc`, is invisible to the build until you run:
```bash
./scripts/filelist # from the source root, then re-run configure/make
```
`bootstrap.sh` runs it for you on the first setup.
## Running Tests and Benchmarks
```bash
# From build directory
make check # root-level tests (Test_simd, Test_cshift, etc.)
make -C tests/<subdir> tests # build tests in a subdirectory
make tests # build all tests across all subdirectories
./tests/core/Test_simd # run a single test binary directly
mpirun -n 4 ./tests/core/Test_cshift --grid 16.16.16.16 --mpi 1.1.1.4
```
`make check` is a thin smoke test — building a subdirectory with `make -C tests/<subdir> tests` and running the relevant binaries directly is the normal development loop. Test binaries take Grid's standard command-line arguments (`--grid`, `--mpi`, `--accelerator-threads`, `--threads`, `--debug-signals`, `--log`); see `Grid/util/Init.cc`.
Test subdirectories and their focus: `core` (SIMD, stencil, comms), `solver` (CG, GMRES, eigensolvers), `hmc` (MD integrators), `forces` (fermion forces), `lanczos`, `IO`, `smearing`, `sp2n`, `debug`.
Tests and benchmarks that need optional fermion representations are guarded by `disable_tests_without_instantiations.h` / `disable_benchmarks_without_instantiations.h`, so a `--disable-fermion-reps --disable-gparity` build silently compiles them to no-ops.
## Architecture
### Layer stack (bottom to top)
1. **SIMD layer** (`Grid/simd/`) — platform-specific intrinsics wrapped into `vRealF`, `vComplexD`, etc. The SIMD width and layout are compile-time constants controlled by `--enable-simd`.
2. **Tensor layer** (`Grid/tensors/`) — Lorentz/colour/spin tensor algebra built on top of SIMD types. `iMatrix`, `iVector`, `iScalar` templates compose into QCD types like `ColourMatrix`, `SpinColourVector`.
3. **Lattice layer** (`Grid/lattice/`) — `Lattice<T>` container: a site-local tensor replicated across a distributed Cartesian grid. All arithmetic is site-parallel and expression-template-fused.
4. **Cartesian/comms layer** (`Grid/cartesian/`, `Grid/communicator/`) — `GridCartesian` holds the MPI topology and local/global geometry. `Grid/cshift/` implements nearest-neighbour halo exchange; `Grid/stencil/` is the optimised multi-hop stencil used by Dirac operators.
5. **Algorithm layer** (`Grid/algorithms/`) — iterative solvers (CG, GMRES, BiCGSTAB, mixed-precision), eigensolvers (Lanczos, LAPACK), FFT, smearing, and multigrid.
6. **QCD layer** (`Grid/qcd/`) — gauge and fermion actions, HMC integrators, observables.
### QCD subsystem (`Grid/qcd/`)
- `action/fermion/` — Wilson, Clover, DWF (Mobius), Staggered, twisted-mass, G-parity variants
- `action/gauge/` — Wilson gauge, Symanzik, Iwasaki, DBW2, plaquette+rect
- `representations/` — Fundamental, Adjoint, Two-index, Sp(2n)
- `hmc/` — Leapfrog, OMF2/OMF4 integrators; pseudofermion refreshment; Metropolis accept/reject
- `smearing/` — APE, Stout, HEX, gradient flow
- `observables/` — Polyakov loop, plaquette, topological charge
### GPU acceleration and the view/memory-manager discipline
### Multigrid (`Grid/algorithms/multigrid/`)
Aggregation-based algebraic multigrid for Wilson-type fermions. Key files: `GeneralCoarsenedMatrixMultiRHS.h` (`MultiGeneralCoarsenedOperator`, the coarse operator for any number of right-hand sides: coarsening by Fourier probing, batched-GEMM apply on a D+1 grid with rhs innermost and unvectorised), `MultiRHSBlockProject.h` (in `deflation/`; the batched-GEMM transfer operators), `PVdagMMultiGrid.h` (three-level non-Hermitian PVdagM chain with dense bottom) and `HDCGMultiGrid.h` (two-level Hermitian HDCG chain) with their `*Params.h` (XML-serialisable parameters), `MrhsMultiGrid.h` (mrhs V-cycle, preconditioner interface, fp64/fp32 seam), `Smoothers.h`, `MultiGridIO.h`, `Aggregates.h` (near-null vector construction), `Geometry.h` (coarse stencils: max-norm-1 boxes of Manhattan radius 1, 2 or 4), `CoarsenedMatrix.h` (the original nearest-neighbour Wilson multigrid). `deprecated/` holds the superseded coarse operators and the Aggregation-based single-RHS ADEF-2, with class names prefixed `Deprecated` (`DeprecatedGeneralCoarsenedMatrix`, `DeprecatedMultiGeneralCoarsenedMatrix`, `DeprecatedTwoLevelADEF2`); nothing in the library uses them, only older drivers in `examples/` and `tests/debug/`. `MultiGrid.h` is the top-level include.
### GPU acceleration
GPU support is injected via macros in `Grid/threads/Accelerator.h` — `accelerator_for(i, n, nsimd, {...})`, `accelerator_forNB` (non-blocking, must be followed by `accelerator_barrier()`), `accelerator_for2dNB`, and `accelerator_inline`. On a CPU build these degrade to `thread_for` (OpenMP). Unified virtual memory is on by default (`--enable-unified=yes`); device-aware MPI (`--enable-accelerator-aware-mpi`) avoids device→host copies on transfers.
Lattice data is **not** directly addressable inside a kernel. You must open a view with the correct access mode so `Grid/allocator/MemoryManager.h` can move/mark the data:
```cpp
autoView(out_v, out, AcceleratorWriteDiscard); // RAII; closes at end of scope
autoView(in_v, in, AcceleratorRead);
accelerator_for(ss, grid->oSites(), Nsimd, {
coalescedWrite(out_v[ss], coalescedRead(in_v[ss]));
});
```
Modes are `AcceleratorRead/Write/WriteDiscard` and `CpuRead/Write/WriteDiscard`. Getting the mode wrong (e.g. `AcceleratorRead` on a field you write) produces stale-data bugs that only appear on GPU builds. Inside kernels use `coalescedRead`/`coalescedWrite` rather than raw `operator[]` — they map the SIMD lane onto `threadIdx.x` so accesses stay coalesced.
### Repo-local debugging skills (`skills/`)
`skills/` contains hard-won, Grid-specific playbooks written as invocable skill files. Consult them before debugging in these areas rather than reasoning from first principles:
| File | Covers |
|---|---|
| `gpu-memory-performance.md` | `acceleratorThreads()`, LambdaApply thread mapping, `coalescedRead` idiom, fused vs staged HBM access |
| `gpu-runtime-correctness.md` | GPU runtime returning early from sync, silent wrong answers |
| `communication-overlap.md` | 7-phase halo pipeline, per-packet events, host-staging vs GPU-direct RDMA |
| `mpi-heterogeneous.md` | `MPI_Sendrecv` device-buffer aliasing, deterministic reductions |
| `compiler-validation.md` | Isolating GPU compiler codegen bugs, minimal reproducers |
| `correctness-verification.md` | Double-run fingerprinting, per-packet checksums, flight recorder |
| `hang-diagnosis.md` | Diagnosing MPI/accelerator hangs |
The key loop macros (defined in `Grid/threads/Accelerator.h`) are:
- `accelerator_for(iter, num, nsimd, {...})` — maps to CUDA/HIP kernel or OpenMP loop; `nsimd` is the innermost SIMD lane count
- `accelerator_forNB(...)` — non-blocking variant (no implicit barrier)
- `accelerator_for2dNB(iter1, num1, iter2, num2, nsimd, {...})` — 2D kernel launch
- `thread_for(iter, num, {...})` — CPU OpenMP loop (never dispatches to GPU)
On CPU builds, `accelerator_for` aliases to `thread_for`.
### Solver patterns
`SchurRedBlack` (`Grid/algorithms/iterative/SchurRedBlack.h`) implements red-black (even/odd) preconditioning for fermion operators. Most production fermion solves use `SchurRedBlackDiagMooeeSolve` or similar wrappers that internally call a `ConjugateGradient` on the Schur complement.
Mixed-precision solvers (`ConjugateGradientMixedPrec`, `BiCGSTABMixedPrec`) drive a double-precision outer loop with single-precision inner solves.
### Memory and I/O
- `Grid/allocator/` — aligned/NUMA-aware allocators; caching allocator via `--enable-alloc-cache`
- `Grid/parallelIO/` — distributed parallel reader/writer for ILDG (via LIME), SciDAC, and native binary formats
- `Grid/serialisation/` — text, binary, HDF5, XML/JSON serialisation of arbitrary Grid objects
### Executables
- `HMC/` — production HMC driver programmes (e.g. `Mobius2p1f.cc`, `DWF_plus_DSDR_nf2plus1_Shamir_Gparity.cc`)
- `benchmarks/` — `Benchmark_dwf`, `Benchmark_ITT`, `Benchmark_comms`, `Benchmark_memory_bandwidth`, … used to qualify a new machine
- `examples/` — small, readable programmes (`Example_plaquette.cc`, `Example_Mobius_spectrum.cc`) that are the best starting point for learning the API
Each of these directories auto-builds every top-level `.cc` as its own binary via `scripts/filelist`.
Every programme is wrapped in `Grid_init(&argc, &argv)` / `Grid_finalize()` (`Grid/util/Init.h`).
## Key Conventions
- **C++17** is required throughout.
- Template structure: most classes are templated on `<_FImpl>` (fermion impl) or `<Gimpl>` (gauge impl), which encode the representation and precision. Instantiation is controlled by `--enable-fermion-instantiations`.
- **Tensor indices are positional, not labelled.** The `Grid/tensors/` arithmetic recurses structurally over the `iScalar`/`iVector`/`iMatrix` nest: each level defines only the {scalar,vector,matrix}² products at its own level, with element types resolved by automatic type deduction, so every colour/spin/lorentz combination composes from ~200 lines (versus the pre-C++11 QDP++/PETE approach of machine-generating every case). An index's meaning derives entirely from its nesting depth counted from the outside; `iScalar` is the identity/broadcast case at every level. Never insert or remove a nesting level casually — the multiplication tables contract by position.
- **Multigrid coarsening deepens the tensor nest by one level.** A coarse site vector is `iVector<CComplex,nbasis>`, and `innerProduct` on it returns `iScalar<CComplex>` — one level deeper than the fine block scalar. So the block-inner-product scalar type gains one `iScalar` wrapper per MG level (fine: `vTComplex`; level 2: `iScalar<vTComplex>`; see `examples/Example_pvdagm_3level.cc`). When calling `blockInnerProduct`/`blockZAXPY`/`blockOrthogonalise` on coarse fields, the coarse scalar type must match `decltype(innerProduct(siteVector(),siteVector()))` exactly; a wrong depth fails to compile (no viable `operator=` deep in the instantiation chain) rather than mis-contracting.
- **Grids are borrowed, never owned.** `conformable` is pointer identity, so every object that interoperates must hold the *same* `GridCartesian *`; a class that minted its own grid internally could never conform with anything else. Ownership is therefore not available, and lifetime is managed by scope discipline instead of reference counting: whoever creates a grid retains it beyond every object it handed a reference to. Anything *derived* from a grid inherits this — `~PaddedCell` dereferences its `unpadded_grid`, so a `PaddedCell` cannot even be **destroyed** after its parent grid, only used. Where a consumer must let go early, it offers an explicit hand-back (`MultiGeneralCoarsenedOperator::ReleaseGrid()`) to be called *before* the grid is destroyed.
- The `RealD`/`RealF`/`ComplexD`/`ComplexF` typedefs are used everywhere; avoid raw `double`/`float`.
- Use `GRID_ASSERT(cond)` (defined in `Grid/GridStd.h`), not bare `assert` — it prints a Grid-formatted message and aborts cleanly under MPI.
- Logging is stream-based, not macro-based: `std::cout << GridLogMessage << ... << std::endl;`. Channels declared in `Grid/log/Log.h` include `GridLogError`, `GridLogWarning`, `GridLogDebug`, `GridLogPerformance`, `GridLogIterative`, `GridLogSolver`, `GridLogHMC`, `GridLogComms`, `GridLogMemory`, `GridLogDslash`, `GridLogIRL`, `GridLogMG`. A subset is switched on at runtime with e.g. `--log Error,Warning,Message,Performance,Iterative,Integrator,Debug,Colours` (names given without the `GridLog` prefix).
- Performance-critical paths use `GRID_TRACE(name)` from `Grid/perfmon/Tracing.h` (compiled out unless `--enable-tracing` selects a backend) and the `GridStopWatch` timers in `Grid/perfmon/Timer.h`.
- Reductions across MPI ranks go through `GridBase::GlobalSum` / `GlobalMax`; never reduce with bare MPI calls inside library code.
- Everything lives in `NAMESPACE_BEGIN(Grid)` / `NAMESPACE_END(Grid)` macros; follow the surrounding file rather than writing `namespace Grid { }`.
- British spelling is used in identifiers and comments (`colour`, `neighbour`, `serialisation`).
-5
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Version : 0.8.0
- Clang 3.5 and above, ICPC v16 and above, GCC 6.3 and above recommended
- MPI and MPI3 comms optimisations for KNL and OPA finished
- Half precision comms
+27
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source "https://rubygems.org"
# Hello! This is where you manage which Jekyll version is used to run.
# When you want to use a different version, change it below, save the
# file and run `bundle install`. Run Jekyll with `bundle exec`, like so:
#
# bundle exec jekyll serve
#
# This will help ensure the proper Jekyll version is running.
# Happy Jekylling!
gem "github-pages", group: :jekyll_plugins
# If you want to use Jekyll native, uncomment the line below.
# To upgrade, run `bundle update`.
# gem "jekyll"
gem "wdm", "~> 0.1.0" if Gem.win_platform?
# If you have any plugins, put them here!
group :jekyll_plugins do
# gem "jekyll-archives"
gem 'jekyll-octicons'
end
+155
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GEM
remote: https://rubygems.org/
specs:
activesupport (4.2.7)
i18n (~> 0.7)
json (~> 1.7, >= 1.7.7)
minitest (~> 5.1)
thread_safe (~> 0.3, >= 0.3.4)
tzinfo (~> 1.1)
addressable (2.4.0)
coffee-script (2.4.1)
coffee-script-source
execjs
coffee-script-source (1.10.0)
colorator (1.1.0)
ethon (0.9.1)
ffi (>= 1.3.0)
execjs (2.7.0)
faraday (0.9.2)
multipart-post (>= 1.2, < 3)
ffi (1.9.14)
ffi (1.9.14-x64-mingw32)
forwardable-extended (2.6.0)
gemoji (2.1.0)
github-pages (104)
activesupport (= 4.2.7)
github-pages-health-check (= 1.2.0)
jekyll (= 3.3.0)
jekyll-avatar (= 0.4.2)
jekyll-coffeescript (= 1.0.1)
jekyll-feed (= 0.8.0)
jekyll-gist (= 1.4.0)
jekyll-github-metadata (= 2.2.0)
jekyll-mentions (= 1.2.0)
jekyll-paginate (= 1.1.0)
jekyll-redirect-from (= 0.11.0)
jekyll-sass-converter (= 1.3.0)
jekyll-seo-tag (= 2.1.0)
jekyll-sitemap (= 0.12.0)
jekyll-swiss (= 0.4.0)
jemoji (= 0.7.0)
kramdown (= 1.11.1)
liquid (= 3.0.6)
listen (= 3.0.6)
mercenary (~> 0.3)
minima (= 2.0.0)
rouge (= 1.11.1)
terminal-table (~> 1.4)
github-pages-health-check (1.2.0)
addressable (~> 2.3)
net-dns (~> 0.8)
octokit (~> 4.0)
public_suffix (~> 1.4)
typhoeus (~> 0.7)
html-pipeline (2.4.2)
activesupport (>= 2)
nokogiri (>= 1.4)
i18n (0.7.0)
jekyll (3.3.0)
addressable (~> 2.4)
colorator (~> 1.0)
jekyll-sass-converter (~> 1.0)
jekyll-watch (~> 1.1)
kramdown (~> 1.3)
liquid (~> 3.0)
mercenary (~> 0.3.3)
pathutil (~> 0.9)
rouge (~> 1.7)
safe_yaml (~> 1.0)
jekyll-avatar (0.4.2)
jekyll (~> 3.0)
jekyll-coffeescript (1.0.1)
coffee-script (~> 2.2)
jekyll-feed (0.8.0)
jekyll (~> 3.3)
jekyll-gist (1.4.0)
octokit (~> 4.2)
jekyll-github-metadata (2.2.0)
jekyll (~> 3.1)
octokit (~> 4.0, != 4.4.0)
jekyll-mentions (1.2.0)
activesupport (~> 4.0)
html-pipeline (~> 2.3)
jekyll (~> 3.0)
jekyll-octicons (3.0.1)
jekyll (~> 3.1)
octicons (~> 3.0)
jekyll-paginate (1.1.0)
jekyll-redirect-from (0.11.0)
jekyll (>= 2.0)
jekyll-sass-converter (1.3.0)
sass (~> 3.2)
jekyll-seo-tag (2.1.0)
jekyll (~> 3.3)
jekyll-sitemap (0.12.0)
jekyll (~> 3.3)
jekyll-swiss (0.4.0)
jekyll-watch (1.5.0)
listen (~> 3.0, < 3.1)
jemoji (0.7.0)
activesupport (~> 4.0)
gemoji (~> 2.0)
html-pipeline (~> 2.2)
jekyll (>= 3.0)
json (1.8.3)
kramdown (1.11.1)
liquid (3.0.6)
listen (3.0.6)
rb-fsevent (>= 0.9.3)
rb-inotify (>= 0.9.7)
mercenary (0.3.6)
mini_portile2 (2.1.0)
minima (2.0.0)
minitest (5.9.1)
multipart-post (2.0.0)
net-dns (0.8.0)
nokogiri (1.6.8.1)
mini_portile2 (~> 2.1.0)
nokogiri (1.6.8.1-x64-mingw32)
mini_portile2 (~> 2.1.0)
octicons (3.0.1)
nokogiri (>= 1.6.3.1)
octokit (4.4.1)
sawyer (~> 0.7.0, >= 0.5.3)
pathutil (0.14.0)
forwardable-extended (~> 2.6)
public_suffix (1.5.3)
rb-fsevent (0.9.8)
rb-inotify (0.9.7)
ffi (>= 0.5.0)
rouge (1.11.1)
safe_yaml (1.0.4)
sass (3.4.22)
sawyer (0.7.0)
addressable (>= 2.3.5, < 2.5)
faraday (~> 0.8, < 0.10)
terminal-table (1.7.3)
unicode-display_width (~> 1.1.1)
thread_safe (0.3.5)
typhoeus (0.8.0)
ethon (>= 0.8.0)
tzinfo (1.2.2)
thread_safe (~> 0.1)
unicode-display_width (1.1.1)
PLATFORMS
ruby
x64-mingw32
DEPENDENCIES
github-pages
jekyll-octicons
BUNDLED WITH
1.13.3
-75
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/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/DisableWarnings.h
Copyright (C) 2016
Author: Guido Cossu <guido.cossu@ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#ifndef DISABLE_WARNINGS_H
#define DISABLE_WARNINGS_H
#if defined __GNUC__ && __GNUC__>=6
#pragma GCC diagnostic ignored "-Wignored-attributes"
#endif
//disables and intel compiler specific warning (in json.hpp)
#ifdef __ICC
#pragma warning disable 488
#endif
#ifdef __NVCC__
//disables nvcc specific warning in json.hpp
#pragma clang diagnostic ignored "-Wdeprecated-register"
#ifdef __NVCC_DIAG_PRAGMA_SUPPORT__
//disables nvcc specific warning in json.hpp
#pragma nv_diag_suppress unsigned_compare_with_zero
#pragma nv_diag_suppress cast_to_qualified_type
//disables nvcc specific warning in many files
#pragma nv_diag_suppress esa_on_defaulted_function_ignored
#pragma nv_diag_suppress declared_but_not_referenced
#pragma nv_diag_suppress extra_semicolon
#else
//disables nvcc specific warning in json.hpp
#pragma diag_suppress unsigned_compare_with_zero
#pragma diag_suppress cast_to_qualified_type
#pragma diag_suppress declared_but_not_referenced
//disables nvcc specific warning in many files
#pragma diag_suppress esa_on_defaulted_function_ignored
#pragma diag_suppress extra_semicolon
#endif
#endif
// Disable vectorisation in Eigen on the Power8/9 and PowerPC
#ifdef __ALTIVEC__
#define EIGEN_DONT_VECTORIZE
#endif
#ifdef __VSX__
#define EIGEN_DONT_VECTORIZE
#endif
#endif
-50
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@@ -1,50 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/Grid.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: azusayamaguchi <ayamaguc@YAMAKAZE.local>
Author: paboyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
//
// Grid.h
// simd
//
// Created by Peter Boyle on 09/05/2014.
// Copyright (c) 2014 University of Edinburgh. All rights reserved.
//
#ifndef GRID_H
#define GRID_H
#include <Grid/GridCore.h>
#include <Grid/GridQCDcore.h>
#include <Grid/qcd/action/Action.h>
#include <Grid/qcd/utils/GaugeFix.h>
#include <Grid/qcd/utils/CovariantSmearing.h>
#include <Grid/qcd/smearing/Smearing.h>
#include <Grid/parallelIO/MetaData.h>
#include <Grid/qcd/hmc/HMC_aggregate.h>
#endif
-68
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@@ -1,68 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/Grid.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: azusayamaguchi <ayamaguc@YAMAKAZE.local>
Author: paboyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
//
// Grid.h
// simd
//
// Created by Peter Boyle on 09/05/2014.
// Copyright (c) 2014 University of Edinburgh. All rights reserved.
//
#ifndef GRID_BASE_H
#define GRID_BASE_H
#include <Grid/DisableWarnings.h>
#include <Grid/Namespace.h>
#include <Grid/GridStd.h>
#include <Grid/threads/Pragmas.h>
#include <Grid/perfmon/Timer.h>
//#include <Grid/perfmon/PerfCount.h>
#include <Grid/util/Util.h>
#include <Grid/log/Log.h>
#include <Grid/perfmon/Tracing.h>
#include <Grid/allocator/Allocator.h>
#include <Grid/simd/Simd.h>
#include <Grid/threads/ThreadReduction.h>
#include <Grid/serialisation/Serialisation.h>
#include <Grid/util/Sha.h>
#include <Grid/communicator/Communicator.h>
#include <Grid/communicator/RingAllReduce.h>
#include <Grid/cartesian/Cartesian.h>
#include <Grid/tensors/Tensors.h>
#include <Grid/lattice/Lattice.h>
#include <Grid/cshift/Cshift.h>
#include <Grid/stencil/Stencil.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/parallelIO/BinaryIO.h>
#include <Grid/algorithms/Algorithms.h>
NAMESPACE_CHECK(GridCore)
#endif
-44
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@@ -1,44 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/Grid.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: azusayamaguchi <ayamaguc@YAMAKAZE.local>
Author: paboyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_QCD_CORE_H
#define GRID_QCD_CORE_H
/////////////////////////
// Core Grid QCD headers
/////////////////////////
#include <Grid/GridCore.h>
#include <Grid/qcd/QCD.h>
#include <Grid/qcd/spin/Spin.h>
#include <Grid/qcd/gparity/Gparity.h>
#include <Grid/qcd/utils/Utils.h>
#include <Grid/qcd/representations/Representations.h>
NAMESPACE_CHECK(GridQCDCore);
#endif
-70
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@@ -1,70 +0,0 @@
#ifndef GRID_STD_H
#define GRID_STD_H
///////////////////
// Grid config
///////////////////
#include "Config.h"
///////////////////
// Std C++ dependencies
///////////////////
#define _NBACKTRACE (256)
extern void * Grid_backtrace_buffer[_NBACKTRACE];
#include <cassert>
#include <complex>
#include <memory>
#include <vector>
#include <array>
#include <string>
#include <iostream>
#include <iomanip>
#include <random>
#include <functional>
#include <stdio.h>
#include <string.h>
#include <stdlib.h>
#include <unistd.h>
#include <strings.h>
#include <stdio.h>
#include <signal.h>
#include <ctime>
#include <sys/time.h>
#include <chrono>
#include <zlib.h>
#ifdef HAVE_EXECINFO_H
#include <execinfo.h>
#endif
void GridAbort(void);
#define ASSLOG(A) ::write(STDERR_FILENO,A,::strlen(A));
#ifdef HAVE_EXECINFO_H
#define GRID_ASSERT(b) if(!(b)) { \
fflush(stdout); \
ASSLOG(" GRID_ASSERT failure: "); \
ASSLOG(__FILE__); \
ASSLOG(" : "); \
ASSLOG(#b); \
ASSLOG(" : "); \
int symbols = backtrace(Grid_backtrace_buffer,_NBACKTRACE); \
backtrace_symbols_fd(Grid_backtrace_buffer,symbols,STDERR_FILENO); \
GridAbort(); \
};
#else
#define GRID_ASSERT(b) if(!(b)) { \
ASSLOG(" GRID_ASSERT failure: "); \
ASSLOG(__FILE__); \
ASSLOG(" : "); \
ASSLOG(#b); \
ASSLOG(" : "); \
GridAbort(); \
};
#endif
#ifdef TOFU
#undef GRID_COMMS_THREADS
#endif
#endif /* GRID_STD_H */
-75
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@@ -1,75 +0,0 @@
#include <Grid/GridCore.h>
#pragma once
// Force Eigen to use MKL if Grid has been configured with --enable-mkl
#ifdef USE_MKL
#define EIGEN_USE_MKL_ALL
#endif
#if defined __GNUC__
#pragma GCC diagnostic push
#pragma GCC diagnostic ignored "-Wdeprecated-declarations"
#endif
/* NVCC save and restore compile environment*/
#ifdef __NVCC__
#pragma push
#ifdef __NVCC_DIAG_PRAGMA_SUPPORT__
#pragma nv_diag_suppress code_is_unreachable
#else
#pragma diag_suppress code_is_unreachable
#endif
#pragma push_macro("__CUDA_ARCH__")
#pragma push_macro("__NVCC__")
#pragma push_macro("__CUDACC__")
#undef __CUDA_ARCH__
#undef __NVCC__
#undef __CUDACC__
#define __NVCC__REDEFINE__
#endif
/* SYCL save and restore compile environment*/
#ifdef GRID_SYCL
#pragma push
#pragma push_macro("__SYCL_DEVICE_ONLY__")
#undef __SYCL_DEVICE_ONLY__
#define EIGEN_DONT_VECTORIZE
#undef EIGEN_USE_SYCL
#define __SYCL__REDEFINE__
#endif
/* HIP save and restore compile environment*/
#ifdef GRID_HIP
#pragma push
#pragma push_macro("__HIP_DEVICE_COMPILE__")
#endif
#define EIGEN_NO_HIP
#include <Grid/Eigen/Dense>
#include <Grid/Eigen/unsupported/CXX11/Tensor>
/* NVCC restore */
#ifdef __NVCC__REDEFINE__
#pragma pop_macro("__CUDACC__")
#pragma pop_macro("__NVCC__")
#pragma pop_macro("__CUDA_ARCH__")
#pragma pop
#endif
/*SYCL restore*/
#ifdef __SYCL__REDEFINE__
#pragma pop_macro("__SYCL_DEVICE_ONLY__")
#pragma pop
#endif
/*HIP restore*/
#ifdef __HIP__REDEFINE__
#pragma pop_macro("__HIP_DEVICE_COMPILE__")
#pragma pop
#endif
#if defined __GNUC__
#pragma GCC diagnostic pop
#endif
-1
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@@ -1 +0,0 @@
#include <Grid/Grid_Eigen_Dense.h>
-85
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@@ -1,85 +0,0 @@
extra_sources=
extra_headers=
if BUILD_COMMS_MPI3
extra_sources+=communicator/Communicator_mpi3.cc
extra_sources+=communicator/Communicator_base.cc
extra_sources+=communicator/SharedMemoryMPI.cc
extra_sources+=communicator/SharedMemory.cc
endif
if BUILD_COMMS_NONE
extra_sources+=communicator/Communicator_none.cc
extra_sources+=communicator/Communicator_base.cc
extra_sources+=communicator/SharedMemoryNone.cc
extra_sources+=communicator/SharedMemory.cc
endif
if BUILD_HDF5
extra_sources+=serialisation/Hdf5IO.cc
extra_headers+=serialisation/Hdf5IO.h
extra_headers+=serialisation/Hdf5Type.h
endif
all: version-cache Version.h
version-cache:
@if [ `git status --porcelain | grep -v '??' | wc -l` -gt 0 ]; then\
a="uncommited changes";\
else\
a="clean";\
fi;\
echo "`git log -n 1 --format=format:"#define GITHASH \\"%H:%d $$a\\"%n" HEAD`" > vertmp;\
if [ -e version-cache ]; then\
d=`diff vertmp version-cache`;\
if [ "$${d}" != "" ]; then\
mv vertmp version-cache;\
rm -f Version.h;\
fi;\
else\
mv vertmp version-cache;\
rm -f Version.h;\
fi;\
rm -f vertmp
Version.h: version-cache
cp version-cache Version.h
.PHONY: version-cache
#
# Libraries
#
include Make.inc
include Eigen.inc
if BUILD_FERMION_INSTANTIATIONS
extra_sources+=$(WILS_FERMION_FILES)
extra_sources+=$(STAG_FERMION_FILES)
if BUILD_ZMOBIUS
extra_sources+=$(ZWILS_FERMION_FILES)
endif
if BUILD_GPARITY
extra_sources+=$(GP_FERMION_FILES)
endif
if BUILD_FERMION_REPS
extra_sources+=$(ADJ_FERMION_FILES)
extra_sources+=$(TWOIND_FERMION_FILES)
endif
if BUILD_SP
extra_sources+=$(SP_FERMION_FILES)
if BUILD_FERMION_REPS
extra_sources+=$(SP_TWOIND_FERMION_FILES)
endif
endif
endif
lib_LIBRARIES = libGrid.a
CCFILES += $(extra_sources)
HFILES += $(extra_headers) Config.h Version.h
libGrid_a_SOURCES = $(CCFILES)
libGrid_adir = $(includedir)/Grid
nobase_dist_pkginclude_HEADERS = $(HFILES) $(eigen_files) $(eigen_unsupp_files)
-43
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@@ -1,43 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/Namespace.h
Copyright (C) 2016
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <type_traits>
#include <exception>
#include <cassert>
#define NAMESPACE_BEGIN(A) namespace A {
#define NAMESPACE_END(A) }
#define GRID_NAMESPACE_BEGIN NAMESPACE_BEGIN(Grid)
#define GRID_NAMESPACE_END NAMESPACE_END(Grid)
#define NAMESPACE_CHECK(x) struct namespaceTEST##x {}; static_assert(std::is_same<namespaceTEST##x, ::namespaceTEST##x>::value,"Not in :: at" );
#define EXCEPTION_CHECK_BEGIN(A) try {
#define EXCEPTION_CHECK_END(A) } catch ( std::exception e ) { BACKTRACEFP(stderr); std::cerr << __PRETTY_FUNCTION__ << " : " <<__LINE__<< " Caught exception "<<e.what()<<std::endl; throw; }
-86
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@@ -1,86 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/Algorithms.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_ALGORITHMS_H
#define GRID_ALGORITHMS_H
NAMESPACE_CHECK(blas);
#include <Grid/algorithms/blas/BatchedBlas.h>
NAMESPACE_CHECK(algorithms);
#include <Grid/algorithms/SparseMatrix.h>
#include <Grid/algorithms/LinearOperator.h>
#include <Grid/algorithms/Preconditioner.h>
NAMESPACE_CHECK(SparseMatrix);
#include <Grid/algorithms/approx/Zolotarev.h>
#include <Grid/algorithms/approx/Chebyshev.h>
#include <Grid/algorithms/approx/JacobiPolynomial.h>
#include <Grid/algorithms/approx/Remez.h>
#include <Grid/algorithms/approx/MultiShiftFunction.h>
#include <Grid/algorithms/approx/Forecast.h>
#include <Grid/algorithms/approx/RemezGeneral.h>
#include <Grid/algorithms/approx/ZMobius.h>
NAMESPACE_CHECK(approx);
#include <Grid/algorithms/deflation/Deflation.h>
#include <Grid/algorithms/deflation/MultiRHSBlockProject.h>
#include <Grid/algorithms/deflation/MultiRHSDeflation.h>
#include <Grid/algorithms/deflation/MultiRHSBlockCGLinalg.h>
// Not really deflation, but useful
#include <Grid/algorithms/blas/MomentumProject.h>
NAMESPACE_CHECK(deflation);
#include <Grid/algorithms/iterative/ConjugateGradient.h>
NAMESPACE_CHECK(ConjGrad);
#include <Grid/algorithms/iterative/BiCGSTAB.h>
NAMESPACE_CHECK(BiCGSTAB);
#include <Grid/algorithms/iterative/ConjugateResidual.h>
#include <Grid/algorithms/iterative/NormalEquations.h>
#include <Grid/algorithms/iterative/SchurRedBlack.h>
#include <Grid/algorithms/iterative/ConjugateGradientMultiShift.h>
#include <Grid/algorithms/iterative/ConjugateGradientMixedPrec.h>
#include <Grid/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h>
#include <Grid/algorithms/iterative/ConjugateGradientMixedPrecBatched.h>
#include <Grid/algorithms/iterative/BiCGSTABMixedPrec.h>
#include <Grid/algorithms/iterative/BlockConjugateGradient.h>
#include <Grid/algorithms/iterative/ConjugateGradientReliableUpdate.h>
#include <Grid/algorithms/iterative/MinimalResidual.h>
#include <Grid/algorithms/iterative/GeneralisedMinimalResidual.h>
#include <Grid/algorithms/iterative/CommunicationAvoidingGeneralisedMinimalResidual.h>
#include <Grid/algorithms/iterative/FlexibleGeneralisedMinimalResidual.h>
#include <Grid/algorithms/iterative/FlexibleCommunicationAvoidingGeneralisedMinimalResidual.h>
#include <Grid/algorithms/iterative/MixedPrecisionFlexibleGeneralisedMinimalResidual.h>
#include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
#include <Grid/algorithms/iterative/PowerMethod.h>
#include <Grid/algorithms/iterative/AdefGeneric.h>
#include <Grid/algorithms/iterative/AdefMrhs.h>
NAMESPACE_CHECK(PowerMethod);
#include <Grid/algorithms/multigrid/MultiGrid.h>
NAMESPACE_CHECK(multigrid);
#include <Grid/algorithms/FFT.h>
#endif
-710
View File
@@ -1,710 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/Cshift.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef _GRID_FFT_H_
#define _GRID_FFT_H_
#ifdef GRID_CUDA
#include <cufft.h>
#endif
#ifdef GRID_HIP
#include <hipfft/hipfft.h>
#endif
#if !defined(GRID_CUDA) && !defined(GRID_HIP)
#ifdef HAVE_FFTW
#if defined(USE_MKL) || defined(GRID_SYCL)
#include <fftw/fftw3.h>
#else
#include <fftw3.h>
#endif
#endif
#endif
NAMESPACE_BEGIN(Grid);
#ifndef FFTW_FORWARD
#define FFTW_FORWARD (-1)
#define FFTW_BACKWARD (+1)
#define FFTW_ESTIMATE (0)
#endif
template<class scalar> struct FFTW {
};
#ifdef GRID_HIP
template<> struct FFTW<ComplexD> {
public:
static const int forward=FFTW_FORWARD;
static const int backward=FFTW_BACKWARD;
typedef hipfftDoubleComplex FFTW_scalar;
typedef hipfftHandle FFTW_plan;
static FFTW_plan fftw_plan_many_dft(int rank, int *n,int howmany,
FFTW_scalar *in, int *inembed,
int istride, int idist,
FFTW_scalar *out, int *onembed,
int ostride, int odist,
int sign, unsigned flags) {
FFTW_plan p;
auto rv = hipfftPlanMany(&p,rank,n,n,istride,idist,n,ostride,odist,HIPFFT_Z2Z,howmany);
GRID_ASSERT(rv==HIPFFT_SUCCESS);
return p;
}
inline static void fftw_execute_dft(const FFTW_plan p,FFTW_scalar *in,FFTW_scalar *out, int sign) {
hipfftResult rv;
if ( sign == forward ) rv =hipfftExecZ2Z(p,in,out,HIPFFT_FORWARD);
else rv =hipfftExecZ2Z(p,in,out,HIPFFT_BACKWARD);
accelerator_barrier();
GRID_ASSERT(rv==HIPFFT_SUCCESS);
}
inline static void fftw_destroy_plan(const FFTW_plan p) { hipfftDestroy(p); }
};
template<> struct FFTW<ComplexF> {
public:
static const int forward=FFTW_FORWARD;
static const int backward=FFTW_BACKWARD;
typedef hipfftComplex FFTW_scalar;
typedef hipfftHandle FFTW_plan;
static FFTW_plan fftw_plan_many_dft(int rank, int *n,int howmany,
FFTW_scalar *in, int *inembed,
int istride, int idist,
FFTW_scalar *out, int *onembed,
int ostride, int odist,
int sign, unsigned flags) {
FFTW_plan p;
auto rv = hipfftPlanMany(&p,rank,n,n,istride,idist,n,ostride,odist,HIPFFT_C2C,howmany);
GRID_ASSERT(rv==HIPFFT_SUCCESS);
return p;
}
inline static void fftw_execute_dft(const FFTW_plan p,FFTW_scalar *in,FFTW_scalar *out, int sign) {
hipfftResult rv;
if ( sign == forward ) rv =hipfftExecC2C(p,in,out,HIPFFT_FORWARD);
else rv =hipfftExecC2C(p,in,out,HIPFFT_BACKWARD);
accelerator_barrier();
GRID_ASSERT(rv==HIPFFT_SUCCESS);
}
inline static void fftw_destroy_plan(const FFTW_plan p) { hipfftDestroy(p); }
};
#endif
#ifdef GRID_CUDA
template<> struct FFTW<ComplexD> {
public:
static const int forward=FFTW_FORWARD;
static const int backward=FFTW_BACKWARD;
typedef cufftDoubleComplex FFTW_scalar;
typedef cufftHandle FFTW_plan;
static FFTW_plan fftw_plan_many_dft(int rank, int *n,int howmany,
FFTW_scalar *in, int *inembed,
int istride, int idist,
FFTW_scalar *out, int *onembed,
int ostride, int odist,
int sign, unsigned flags) {
FFTW_plan p;
cufftPlanMany(&p,rank,n,n,istride,idist,n,ostride,odist,CUFFT_Z2Z,howmany);
return p;
}
inline static void fftw_execute_dft(const FFTW_plan p,FFTW_scalar *in,FFTW_scalar *out, int sign) {
if ( sign == forward ) cufftExecZ2Z(p,in,out,CUFFT_FORWARD);
else cufftExecZ2Z(p,in,out,CUFFT_INVERSE);
accelerator_barrier();
}
inline static void fftw_destroy_plan(const FFTW_plan p) { cufftDestroy(p); }
};
template<> struct FFTW<ComplexF> {
public:
static const int forward=FFTW_FORWARD;
static const int backward=FFTW_BACKWARD;
typedef cufftComplex FFTW_scalar;
typedef cufftHandle FFTW_plan;
static FFTW_plan fftw_plan_many_dft(int rank, int *n,int howmany,
FFTW_scalar *in, int *inembed,
int istride, int idist,
FFTW_scalar *out, int *onembed,
int ostride, int odist,
int sign, unsigned flags) {
FFTW_plan p;
cufftPlanMany(&p,rank,n,n,istride,idist,n,ostride,odist,CUFFT_C2C,howmany);
return p;
}
inline static void fftw_execute_dft(const FFTW_plan p,FFTW_scalar *in,FFTW_scalar *out, int sign) {
if ( sign == forward ) cufftExecC2C(p,in,out,CUFFT_FORWARD);
else cufftExecC2C(p,in,out,CUFFT_INVERSE);
accelerator_barrier();
}
inline static void fftw_destroy_plan(const FFTW_plan p) { cufftDestroy(p); }
};
#endif
#if !defined(GRID_CUDA) && !defined(GRID_HIP)
#ifdef HAVE_FFTW
template<> struct FFTW<ComplexD> {
public:
typedef fftw_complex FFTW_scalar;
typedef fftw_plan FFTW_plan;
static FFTW_plan fftw_plan_many_dft(int rank, int *n,int howmany,
FFTW_scalar *in, int *inembed,
int istride, int idist,
FFTW_scalar *out, int *onembed,
int ostride, int odist,
int sign, unsigned flags) {
return ::fftw_plan_many_dft(rank,n,howmany,in,inembed,istride,idist,out,onembed,ostride,odist,sign,flags);
}
inline static void fftw_execute_dft(const FFTW_plan p,FFTW_scalar *in,FFTW_scalar *out, int sign) {
::fftw_execute_dft(p,in,out);
}
inline static void fftw_destroy_plan(const FFTW_plan p) { ::fftw_destroy_plan(p); }
};
template<> struct FFTW<ComplexF> {
public:
typedef fftwf_complex FFTW_scalar;
typedef fftwf_plan FFTW_plan;
static FFTW_plan fftw_plan_many_dft(int rank, int *n,int howmany,
FFTW_scalar *in, int *inembed,
int istride, int idist,
FFTW_scalar *out, int *onembed,
int ostride, int odist,
int sign, unsigned flags) {
return ::fftwf_plan_many_dft(rank,n,howmany,in,inembed,istride,idist,out,onembed,ostride,odist,sign,flags);
}
inline static void fftw_execute_dft(const FFTW_plan p,FFTW_scalar *in,FFTW_scalar *out, int sign) {
::fftwf_execute_dft(p,in,out);
}
inline static void fftw_destroy_plan(const FFTW_plan p) { ::fftwf_destroy_plan(p); }
};
#endif
#endif
struct FFTbase {
double flops;
double flops_call;
uint64_t usec;
GridCartesian *_grid;
static const int forward = FFTW_FORWARD;
static const int backward = FFTW_BACKWARD;
double Flops(void) { return flops; }
double MFlops(void) { return flops / usec; }
double USec(void) { return (double)usec; }
FFTbase(GridCartesian *grid) : _grid(grid), flops(0), flops_call(0), usec(0) {}
};
// Barrel-shift gather, FFT execute, and insert. Called by both FFT and PlannedFFT.
// The caller is responsible for plan acquisition and destruction.
template<class vobj>
static void FFT_dim_execute(
Lattice<vobj> &result,
const Lattice<vobj> &source,
int dim, int sign,
typename FFTW<typename vobj::scalar_type>::FFTW_plan p,
GridCartesian *grid,
double &flops, double &flops_call, uint64_t &usec)
{
typedef typename vobj::scalar_type scalar;
typedef typename vobj::scalar_object sobj;
typedef typename vobj::scalar_type scalar_type;
typedef typename vobj::vector_type vector_type;
typedef typename FFTW<scalar>::FFTW_scalar FFTW_scalar;
#if 0
// ======================= ORIGINAL barrel-shift path =======================
// Preserved for reference. Superseded by the transpose / all-to-all path
// below (the single active path for ALL P): the barrel is a P-fold redundant
// all-gather -- every rank assembles and transforms all Nperp lines of length
// G, keeping only its own L points. The transpose partitions the Nperp
// perpendicular lines across the P ranks along dim, so each rank transforms
// only ceil(Nperp/P) lines and moves (P-1)/P of its data instead of P-1
// redundant copies. See CartesianRingAllToAll in communicator/RingAllReduce.h.
const int Ndim = grid->Nd();
int L = grid->_ldimensions[dim];
int G = grid->_fdimensions[dim];
int Ncomp = sizeof(sobj) / sizeof(scalar);
int64_t Nlow = 1, Nhigh = 1;
for (int d = 0; d < dim; d++) Nlow *= grid->_ldimensions[d];
for (int d = dim+1; d < Ndim; d++) Nhigh *= grid->_ldimensions[d];
int64_t Nperp = Nlow * Nhigh;
deviceVector<scalar> pgbuf(Nperp * Ncomp * G);
scalar *pgbuf_v = &pgbuf[0];
int howmany = Ncomp * Nperp;
scalar div;
if (sign == FFTW_BACKWARD) div = 1.0 / G;
else if (sign == FFTW_FORWARD) div = 1.0;
else GRID_ASSERT(0);
double t_pencil = 0, t_fft = 0, t_copy = 0, t_shift = 0;
double t_total = -usecond();
result = source;
int pc = grid->_processor_coor[dim];
const Coordinate ldims = grid->_ldimensions;
const Coordinate rdims = grid->_rdimensions;
const Coordinate sdims = grid->_simd_layout;
const Coordinate processors = grid->_processors;
Coordinate pgdims(Ndim);
pgdims[0] = G;
for (int d = 0, dd = 1; d < Ndim; d++)
if (d != dim) pgdims[dd++] = ldims[d];
int64_t pgvol = 1;
for (int d = 0; d < Ndim; d++) pgvol *= pgdims[d];
const int Nsimd = vobj::Nsimd();
t_pencil = -usecond();
for (int p_idx = 0; p_idx < processors[dim]; p_idx++) {
t_copy -= usecond();
autoView(r_v, result, AcceleratorRead);
accelerator_for(idx, grid->oSites(), vobj::Nsimd(), {
#ifdef GRID_SIMT
{
int lane = acceleratorSIMTlane(Nsimd);
#else
for (int lane = 0; lane < Nsimd; lane++) {
#endif
Coordinate icoor, ocoor, pgcoor;
Lexicographic::CoorFromIndex(icoor, lane, sdims);
Lexicographic::CoorFromIndex(ocoor, idx, rdims);
pgcoor[0] = ocoor[dim] + icoor[dim]*rdims[dim] + ((pc+p_idx)%processors[dim])*L;
for (int d = 0, dd = 1; d < Ndim; d++)
if (d != dim) { pgcoor[dd] = ocoor[d] + icoor[d]*rdims[d]; dd++; }
int64_t pgidx;
Lexicographic::IndexFromCoor(pgcoor, pgidx, pgdims);
vector_type *from = (vector_type *)&r_v[idx];
scalar_type stmp;
for (int w = 0; w < Ncomp; w++) {
stmp = getlane(from[w], lane);
pgbuf_v[pgidx + w*pgvol] = stmp;
}
#ifdef GRID_SIMT
}
#else
}
#endif
});
t_copy += usecond();
if (p_idx != processors[dim] - 1) {
Lattice<vobj> temp(grid);
t_shift -= usecond();
temp = Cshift(result, dim, L); result = temp;
t_shift += usecond();
}
}
t_pencil += usecond();
FFTW_scalar *in = (FFTW_scalar *)pgbuf_v;
FFTW_scalar *out = (FFTW_scalar *)pgbuf_v;
t_fft = -usecond();
FFTW<scalar>::fftw_execute_dft(p, in, out, sign);
t_fft += usecond();
flops_call = 5.0 * howmany * G * log2(G);
usec = t_fft;
flops = flops_call;
result = Zero();
double t_insert = -usecond();
{
autoView(r_v, result, AcceleratorWrite);
accelerator_for(idx, grid->oSites(), Nsimd, {
#ifdef GRID_SIMT
{
int lane = acceleratorSIMTlane(Nsimd);
#else
for (int lane = 0; lane < Nsimd; lane++) {
#endif
Coordinate icoor(Ndim), ocoor(Ndim), pgcoor(Ndim);
Lexicographic::CoorFromIndex(icoor, lane, sdims);
Lexicographic::CoorFromIndex(ocoor, idx, rdims);
pgcoor[0] = ocoor[dim] + icoor[dim]*rdims[dim] + pc*L;
for (int d = 0, dd = 1; d < Ndim; d++)
if (d != dim) { pgcoor[dd] = ocoor[d] + icoor[d]*rdims[d]; dd++; }
int64_t pgidx;
Lexicographic::IndexFromCoor(pgcoor, pgidx, pgdims);
vector_type *to = (vector_type *)&r_v[idx];
scalar_type stmp;
for (int w = 0; w < Ncomp; w++) {
stmp = pgbuf_v[pgidx + w*pgvol];
putlane(to[w], stmp, lane);
}
#ifdef GRID_SIMT
}
#else
}
#endif
});
}
result = result * div;
t_insert += usecond();
t_total += usecond();
std::cout << GridLogPerformance << " FFT took " << t_total/1.0e6 << " s" << std::endl;
std::cout << GridLogPerformance << " FFT pencil " << t_pencil/1.0e6 << " s" << std::endl;
std::cout << GridLogPerformance << " of which copy " << t_copy/1.0e6 << " s" << std::endl;
std::cout << GridLogPerformance << " of which shift" << t_shift/1.0e6 << " s" << std::endl;
std::cout << GridLogPerformance << " FFT kernels " << t_fft/1.0e6 << " s" << std::endl;
std::cout << GridLogPerformance << " FFT insert " << t_insert/1.0e6 << " s" << std::endl;
#endif
// ==================== transpose / all-to-all pencil FFT ====================
//
// P ranks lie along dim; each holds a local L-slab (L=ldim) of every global
// line (length G=fdim=L*P) and Nperp perpendicular lines. We partition the
// Nperp lines across the P ranks: the rank at coord `own` owns the lines with
// olin/Oloc == own, gathers their full G points via a cartesian all-to-all,
// transforms only Oloc = ceil(Nperp/P) of them, then scatters the result back
// with the inverse all-to-all.
//
// The owned-line count is CEIL-padded to a multiple of P (Oloc*P >= Nperp) so
// the all-to-all stays SYMMETRIC (one uniform chunk) for ANY (P,Nperp) -- in
// particular a P carrying a factor absent from Nperp, e.g. P=3 on the T axis
// of 128^3x288 whose perpendicular volume is a pure power of two. This keeps
// the transpose as total over decompositions as the barrel it replaces (no
// new geometry constraint), at a cost of <= (P-1) padded lines out of Nperp.
// Padding slots olin in [Nperp, Oloc*P) are never packed and never unpacked.
//
// The load-bearing identity: the all-to-all block index == cartesian coord
// along dim == which L-slab [c*L, c*L+L) of the global line -- so the block a
// rank receives carries the global-x tag needed to order the FFT input.
//
// Degenerate P: P=1 -> both all-to-alls are self-copies and the reorders are
// the identity (G=L), i.e. a pure local FFT. P=2 -> each all-to-all moves
// half a field, two of them one field, equal to the barrel's single Cshift.
{
const int Ndim = grid->Nd();
int L = grid->_ldimensions[dim];
int G = grid->_fdimensions[dim];
int Ncomp = sizeof(sobj) / sizeof(scalar);
int P = grid->_processors[dim];
int64_t Nperp = 1;
for (int d = 0; d < Ndim; d++)
if (d != dim) Nperp *= grid->_ldimensions[d];
int64_t Oloc = (Nperp + P - 1) / P; // ceil: owned (padded) lines/rank
int64_t chunk = (int64_t)L * Oloc * Ncomp; // one all-to-all block (uniform)
int64_t nbuf = (int64_t)P * chunk; // == Ncomp*Oloc*G, one field's worth
int64_t howmany_local = (int64_t)Ncomp * Oloc;
scalar div;
if (sign == FFTW_BACKWARD) div = 1.0 / G;
else if (sign == FFTW_FORWARD) div = 1.0;
else GRID_ASSERT(0);
double t_total = -usecond();
double t_pack = 0, t_a2a = 0, t_reorder = 0, t_fft = 0, t_unpack = 0;
deviceVector<scalar> sbuf(nbuf);
deviceVector<scalar> rbuf(nbuf);
deviceVector<scalar> pgbuf(nbuf); // FFTW pencil buffer, Ncomp*Oloc lines of G
scalar *sbuf_v = &sbuf[0];
scalar *rbuf_v = &rbuf[0];
scalar *pgbuf_v = &pgbuf[0];
// Pad slots (olin in [Nperp, Oloc*P)) are never packed, so they would carry
// garbage device memory into the FFT. Zero them so the padded lines stay
// finite -- but ONLY when padding is actually present. In the common
// Nperp % P == 0 case pack writes every sbuf entry bijectively, so skip the
// whole-buffer memset and its device sync entirely.
if ( (int64_t)Oloc*P != Nperp )
acceleratorMemSet(sbuf_v, 0, nbuf*sizeof(scalar));
const Coordinate ldims = grid->_ldimensions;
const Coordinate rdims = grid->_rdimensions;
const Coordinate sdims = grid->_simd_layout;
const int Nsimd = vobj::Nsimd();
// ---- 1. pack: source -> sbuf. block = owner coord; payload xloc + L*(slot + Oloc*w)
t_pack -= usecond();
{
autoView(s_v, source, AcceleratorRead);
accelerator_for(idx, grid->oSites(), Nsimd, {
#ifdef GRID_SIMT
{
int lane = acceleratorSIMTlane(Nsimd);
#else
for (int lane = 0; lane < Nsimd; lane++) {
#endif
Coordinate icoor(Ndim), ocoor(Ndim);
Lexicographic::CoorFromIndex(icoor, lane, sdims);
Lexicographic::CoorFromIndex(ocoor, idx, rdims);
int64_t xloc = ocoor[dim] + icoor[dim]*rdims[dim];
int64_t olin = 0, str = 1;
for (int d = 0; d < Ndim; d++) {
if (d == dim) continue;
int64_t c = ocoor[d] + icoor[d]*rdims[d];
olin += str * c;
str *= ldims[d];
}
int64_t own = olin / Oloc;
int64_t slot = olin - own*Oloc;
vector_type *from = (vector_type *)&s_v[idx];
for (int w = 0; w < Ncomp; w++) {
scalar_type stmp = getlane(from[w], lane);
sbuf_v[ own*chunk + xloc + L*(slot + Oloc*w) ] = stmp;
}
#ifdef GRID_SIMT
}
#else
}
#endif
});
}
t_pack += usecond();
// ---- 2. forward all-to-all: gather my owned lines' L-slabs from every rank
t_a2a -= usecond();
CartesianRingAllToAll(grid, sbuf_v, rbuf_v, (uint64_t)chunk, dim);
t_a2a += usecond();
// ---- 3. reorder rbuf -> pgbuf: contiguous G-lines (w,slot), xpos = src*L + xloc
t_reorder -= usecond();
accelerator_for(q, nbuf, 1, {
int64_t xpos = q % G;
int64_t t = q / G; // = w*Oloc + slot
int64_t slot = t % Oloc;
int64_t w = t / Oloc;
int64_t src = xpos / L;
int64_t xloc = xpos % L;
pgbuf_v[q] = rbuf_v[ src*chunk + xloc + L*(slot + Oloc*w) ];
});
t_reorder += usecond();
// ---- 4. FFT: Ncomp*Oloc contiguous lines of length G (istride 1, idist G)
{
FFTW_scalar *in = (FFTW_scalar *)pgbuf_v;
FFTW_scalar *out = (FFTW_scalar *)pgbuf_v;
t_fft -= usecond();
FFTW<scalar>::fftw_execute_dft(p, in, out, sign);
t_fft += usecond();
}
flops_call = 5.0 * (double)howmany_local * G * log2(G);
usec = (uint64_t)t_fft;
flops = flops_call;
// ---- 5a. reorder pgbuf -> sbuf: block = destination coord; xpos = dst*L + xloc
t_reorder -= usecond();
accelerator_for(j, nbuf, 1, {
int64_t dst = j / chunk;
int64_t r = j % chunk;
int64_t xloc = r % L;
int64_t u = r / L; // = slot + Oloc*w
int64_t slot = u % Oloc;
int64_t w = u / Oloc;
int64_t xpos = dst*L + xloc;
sbuf_v[j] = pgbuf_v[ w*Oloc*G + slot*G + xpos ];
});
t_reorder += usecond();
// ---- 5b. inverse all-to-all: scatter transformed L-slabs back
t_a2a -= usecond();
CartesianRingAllToAll(grid, sbuf_v, rbuf_v, (uint64_t)chunk, dim);
t_a2a += usecond();
// ---- 5c. unpack rbuf -> result (x div); block = owner coord of each line
t_unpack -= usecond();
{
autoView(r_v, result, AcceleratorWrite);
accelerator_for(idx, grid->oSites(), Nsimd, {
#ifdef GRID_SIMT
{
int lane = acceleratorSIMTlane(Nsimd);
#else
for (int lane = 0; lane < Nsimd; lane++) {
#endif
Coordinate icoor(Ndim), ocoor(Ndim);
Lexicographic::CoorFromIndex(icoor, lane, sdims);
Lexicographic::CoorFromIndex(ocoor, idx, rdims);
int64_t xloc = ocoor[dim] + icoor[dim]*rdims[dim];
int64_t olin = 0, str = 1;
for (int d = 0; d < Ndim; d++) {
if (d == dim) continue;
int64_t c = ocoor[d] + icoor[d]*rdims[d];
olin += str * c;
str *= ldims[d];
}
int64_t own = olin / Oloc;
int64_t slot = olin - own*Oloc;
vector_type *to = (vector_type *)&r_v[idx];
for (int w = 0; w < Ncomp; w++) {
scalar_type stmp = div * rbuf_v[ own*chunk + xloc + L*(slot + Oloc*w) ];
putlane(to[w], stmp, lane);
}
#ifdef GRID_SIMT
}
#else
}
#endif
});
}
t_unpack += usecond();
t_total += usecond();
std::cout << GridLogPerformance << " FFT took " << t_total/1.0e6 << " s (transpose P=" << P << ")" << std::endl;
std::cout << GridLogPerformance << " FFT pack " << t_pack/1.0e6 << " s" << std::endl;
std::cout << GridLogPerformance << " FFT alltoall " << t_a2a/1.0e6 << " s" << std::endl;
std::cout << GridLogPerformance << " FFT reorder " << t_reorder/1.0e6 << " s" << std::endl;
std::cout << GridLogPerformance << " FFT kernels " << t_fft/1.0e6 << " s" << std::endl;
std::cout << GridLogPerformance << " FFT unpack " << t_unpack/1.0e6 << " s" << std::endl;
}
}
class FFT : public FFTbase {
public:
FFT(GridCartesian *grid) : FFTbase(grid) {}
~FFT() {}
template<class vobj>
void FFT_dim_mask(Lattice<vobj> &result, const Lattice<vobj> &source, Coordinate mask, int sign) {
const int Ndim = _grid->Nd();
Lattice<vobj> tmp = source;
for (int d = 0; d < Ndim; d++) {
if (mask[d]) {
FFT_dim(result, tmp, d, sign);
tmp = result;
}
}
}
template<class vobj>
void FFT_all_dim(Lattice<vobj> &result, const Lattice<vobj> &source, int sign) {
Coordinate mask(_grid->Nd(), 1);
FFT_dim_mask(result, source, mask, sign);
}
template<class vobj>
void FFT_dim(Lattice<vobj> &result, const Lattice<vobj> &source, int dim, int sign) {
GRID_ASSERT(source.Grid() == _grid);
GRID_ASSERT(result.Grid() == _grid);
conformable(result.Grid(), source.Grid());
typedef typename vobj::scalar_type scalar;
typedef typename vobj::scalar_object sobj;
typedef typename FFTW<scalar>::FFTW_scalar FFTW_scalar;
typedef typename FFTW<scalar>::FFTW_plan FFTW_plan;
const int Ndim = _grid->Nd();
int G = _grid->_fdimensions[dim];
int Ncomp = sizeof(sobj) / sizeof(scalar);
int64_t Nperp = 1;
for (int d = 0; d < Ndim; d++)
if (d != dim) Nperp *= _grid->_ldimensions[d];
int P = _grid->_processors[dim];
int64_t Oloc = (Nperp + P - 1) / P; // ceil-padded owned lines/rank (see FFT_dim_execute)
int n[] = {G};
int howmany = Ncomp * (int)Oloc;
deviceVector<scalar> dummy(2);
FFTW_scalar *buf = (FFTW_scalar *)&dummy[0];
FFTW_plan p = FFTW<scalar>::fftw_plan_many_dft(1, n, howmany,
buf, n, 1, G,
buf, n, 1, G,
sign, FFTW_ESTIMATE);
FFT_dim_execute(result, source, dim, sign, p, _grid, flops, flops_call, usec);
FFTW<scalar>::fftw_destroy_plan(p);
}
};
template<class vobj>
class PlannedFFT : public FFTbase {
private:
typedef typename vobj::scalar_type scalar;
typedef typename vobj::scalar_object sobj;
typedef typename vobj::vector_type vector_type;
typedef typename FFTW<scalar>::FFTW_scalar FFTW_scalar;
typedef typename FFTW<scalar>::FFTW_plan FFTW_plan;
std::vector<FFTW_plan> forward_plans;
std::vector<FFTW_plan> backward_plans;
void PlanCreate() {
const int Ndim = _grid->Nd();
forward_plans.resize(Ndim);
backward_plans.resize(Ndim);
for (int d = 0; d < Ndim; d++) {
int G = _grid->_fdimensions[d];
int Ncomp = sizeof(sobj) / sizeof(scalar);
int64_t Nperp = 1;
for (int dd = 0; dd < Ndim; dd++)
if (dd != d) Nperp *= _grid->_ldimensions[dd];
int P = _grid->_processors[d];
int64_t Oloc = (Nperp + P - 1) / P; // ceil-padded owned lines/rank (see FFT_dim_execute)
int howmany = Ncomp * (int)Oloc;
int n[] = {G};
deviceVector<scalar> dummy(2);
FFTW_scalar *buf = (FFTW_scalar *)&dummy[0];
forward_plans[d] = FFTW<scalar>::fftw_plan_many_dft(1, n, howmany, buf, n, 1, G, buf, n, 1, G, FFTW_FORWARD, FFTW_ESTIMATE);
backward_plans[d] = FFTW<scalar>::fftw_plan_many_dft(1, n, howmany, buf, n, 1, G, buf, n, 1, G, FFTW_BACKWARD, FFTW_ESTIMATE);
}
}
void PlanDestroy() {
for (auto p : forward_plans) FFTW<scalar>::fftw_destroy_plan(p);
for (auto p : backward_plans) FFTW<scalar>::fftw_destroy_plan(p);
forward_plans.clear();
backward_plans.clear();
}
public:
PlannedFFT(GridCartesian *grid) : FFTbase(grid) { PlanCreate(); }
~PlannedFFT() { PlanDestroy(); }
void FFT_dim_mask(Lattice<vobj> &result, const Lattice<vobj> &source, Coordinate mask, int sign) {
const int Ndim = _grid->Nd();
Lattice<vobj> tmp = source;
for (int d = 0; d < Ndim; d++) {
if (mask[d]) {
FFT_dim(result, tmp, d, sign);
tmp = result;
}
}
}
void FFT_all_dim(Lattice<vobj> &result, const Lattice<vobj> &source, int sign) {
Coordinate mask(_grid->Nd(), 1);
FFT_dim_mask(result, source, mask, sign);
}
void FFT_dim(Lattice<vobj> &result, const Lattice<vobj> &source, int dim, int sign) {
GRID_ASSERT(source.Grid() == _grid);
GRID_ASSERT(result.Grid() == _grid);
GRID_ASSERT((int)forward_plans.size() == _grid->Nd());
conformable(result.Grid(), source.Grid());
FFTW_plan p = (sign == forward ? forward_plans : backward_plans)[dim];
FFT_dim_execute(result, source, dim, sign, p, _grid, flops, flops_call, usec);
}
};
NAMESPACE_END(Grid);
#endif
-769
View File
@@ -1,769 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/LinearOperator.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
/////////////////////////////////////////////////////////////////////////////////////////////
// LinearOperators Take a something and return a something.
/////////////////////////////////////////////////////////////////////////////////////////////
//
// Hopefully linearity is satisfied and the AdjOp is indeed the Hermitian Conjugateugate (transpose if real):
//SBase
// i) F(a x + b y) = aF(x) + b F(y).
// ii) <x|Op|y> = <y|AdjOp|x>^\ast
//
// Would be fun to have a test linearity & Herm Conj function!
/////////////////////////////////////////////////////////////////////////////////////////////
template<class Field> class LinearOperatorBase {
public:
// Support for coarsening to a multigrid
virtual void OpDiag (const Field &in, Field &out) = 0; // Abstract base
virtual void OpDir (const Field &in, Field &out,int dir,int disp) = 0; // Abstract base
virtual void OpDirAll (const Field &in, std::vector<Field> &out) = 0; // Abstract base
virtual void Op (const Field &in, Field &out) = 0; // Abstract base
virtual void AdjOp (const Field &in, Field &out) = 0; // Abstract base
virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2)=0;
virtual void HermOp(const Field &in, Field &out)=0;
virtual ~LinearOperatorBase(){};
};
/////////////////////////////////////////////////////////////////////////////////////////////
// By sharing the class for Sparse Matrix across multiple operator wrappers, we can share code
// between RB and non-RB variants. Sparse matrix is like the fermion action def, and then
// the wrappers implement the specialisation of "Op" and "AdjOp" to the cases minimising
// replication of code.
//
// I'm not entirely happy with implementation; to share the Schur code between herm and non-herm
// while still having a "OpAndNorm" in the abstract base I had to implement it in both cases
// with an GRID_ASSERT trap in the non-herm. This isn't right; there must be a better C++ way to
// do it, but I fear it required multiple inheritance and mixed in abstract base classes
/////////////////////////////////////////////////////////////////////////////////////////////
////////////////////////////////////////////////////////////////////
// Construct herm op from non-herm matrix
////////////////////////////////////////////////////////////////////
template<class Matrix,class Field>
class MdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
public:
MdagMLinearOperator(Matrix &Mat): _Mat(Mat){};
// Support for coarsening to a multigrid
void OpDiag (const Field &in, Field &out) {
_Mat.Mdiag(in,out);
}
void OpDir (const Field &in, Field &out,int dir,int disp) {
_Mat.Mdir(in,out,dir,disp);
}
void OpDirAll (const Field &in, std::vector<Field> &out){
_Mat.MdirAll(in,out);
};
void Op (const Field &in, Field &out){
_Mat.M(in,out);
}
void AdjOp (const Field &in, Field &out){
_Mat.Mdag(in,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
_Mat.MdagM(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
_Mat.MdagM(in,out);
}
};
template<class Matrix,class Field>
class MMdagLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
public:
MMdagLinearOperator(Matrix &Mat): _Mat(Mat){};
// Support for coarsening to a multigrid
void OpDiag (const Field &in, Field &out) {
_Mat.Mdiag(in,out);
}
void OpDir (const Field &in, Field &out,int dir,int disp) {
_Mat.Mdir(in,out,dir,disp);
}
void OpDirAll (const Field &in, std::vector<Field> &out){
_Mat.MdirAll(in,out);
};
void Op (const Field &in, Field &out){
_Mat.M(in,out);
}
void AdjOp (const Field &in, Field &out){
_Mat.Mdag(in,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
_Mat.MMdag(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
_Mat.MMdag(in,out);
}
};
////////////////////////////////////////////////////////////////////
// Construct herm op and shift it for mgrid smoother
////////////////////////////////////////////////////////////////////
template<class Matrix,class Field>
class ShiftedMdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
RealD _shift;
public:
ShiftedMdagMLinearOperator(Matrix &Mat,RealD shift): _Mat(Mat), _shift(shift){};
// Support for coarsening to a multigrid
void OpDiag (const Field &in, Field &out) {
_Mat.Mdiag(in,out);
GRID_ASSERT(0);
}
void OpDir (const Field &in, Field &out,int dir,int disp) {
_Mat.Mdir(in,out,dir,disp);
GRID_ASSERT(0);
}
void OpDirAll (const Field &in, std::vector<Field> &out){
GRID_ASSERT(0);
};
void Op (const Field &in, Field &out){
_Mat.M(in,out);
GRID_ASSERT(0);
}
void AdjOp (const Field &in, Field &out){
_Mat.Mdag(in,out);
GRID_ASSERT(0);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
_Mat.MdagM(in,out);
out = out + _shift*in;
}
};
////////////////////////////////////////////////////////////////////
// Create a shifted HermOp
////////////////////////////////////////////////////////////////////
template<class Field>
class ShiftedHermOpLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Mat;
RealD _shift;
public:
ShiftedHermOpLinearOperator(LinearOperatorBase<Field> &Mat,RealD shift): _Mat(Mat), _shift(shift){};
// Support for coarsening to a multigrid
void OpDiag (const Field &in, Field &out) {
GRID_ASSERT(0);
}
void OpDir (const Field &in, Field &out,int dir,int disp) {
GRID_ASSERT(0);
}
void OpDirAll (const Field &in, std::vector<Field> &out){
GRID_ASSERT(0);
};
void Op (const Field &in, Field &out){
HermOp(in,out);
}
void AdjOp (const Field &in, Field &out){
HermOp(in,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
_Mat.HermOp(in,out);
out = out + _shift*in;
}
};
////////////////////////////////////////////////////////////////////
// Present any LinearOperatorBase as Hermitian: Op = AdjOp = HermOp.
// For coarsening (CoarsenOperator applies Op) an HPD operator whose
// Op is a factor and HermOp the product, e.g. SchurDiagMooee or MdagM.
////////////////////////////////////////////////////////////////////
template<class Field>
class HermOpAdaptor : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Mat;
public:
HermOpAdaptor(LinearOperatorBase<Field> &Mat): _Mat(Mat){};
void OpDiag (const Field &in, Field &out) { GRID_ASSERT(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { GRID_ASSERT(0); }
void OpDirAll(const Field &in, std::vector<Field> &out) { GRID_ASSERT(0); }
void Op (const Field &in, Field &out){ _Mat.HermOp(in,out); }
void AdjOp (const Field &in, Field &out){ _Mat.HermOp(in,out); }
void HermOp (const Field &in, Field &out){ _Mat.HermOp(in,out); }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
};
////////////////////////////////////////////////////////////////////
// Wrap an already herm matrix
////////////////////////////////////////////////////////////////////
template<class Matrix,class Field>
class HermitianLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
public:
HermitianLinearOperator(Matrix &Mat): _Mat(Mat){};
// Support for coarsening to a multigrid
void OpDiag (const Field &in, Field &out) {
_Mat.Mdiag(in,out);
}
void OpDir (const Field &in, Field &out,int dir,int disp) {
_Mat.Mdir(in,out,dir,disp);
}
void OpDirAll (const Field &in, std::vector<Field> &out){
_Mat.MdirAll(in,out);
};
void Op (const Field &in, Field &out){
_Mat.M(in,out);
}
void AdjOp (const Field &in, Field &out){
_Mat.M(in,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot= innerProduct(in,out); n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
_Mat.M(in,out);
}
};
template<class Matrix,class Field>
class NonHermitianLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
public:
NonHermitianLinearOperator(Matrix &Mat): _Mat(Mat){};
// Support for coarsening to a multigrid
void OpDiag (const Field &in, Field &out) {
_Mat.Mdiag(in,out);
}
void OpDir (const Field &in, Field &out,int dir,int disp) {
_Mat.Mdir(in,out,dir,disp);
}
void OpDirAll (const Field &in, std::vector<Field> &out){
_Mat.MdirAll(in,out);
};
void Op (const Field &in, Field &out){
_Mat.M(in,out);
}
void AdjOp (const Field &in, Field &out){
_Mat.Mdag(in,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
GRID_ASSERT(0);
}
void HermOp(const Field &in, Field &out){
GRID_ASSERT(0);
}
};
template<class Matrix,class Field>
class ShiftedNonHermitianLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
RealD shift;
public:
ShiftedNonHermitianLinearOperator(Matrix &Mat,RealD shft): _Mat(Mat),shift(shft){};
// Support for coarsening to a multigrid
void OpDiag (const Field &in, Field &out) {
_Mat.Mdiag(in,out);
out = out + shift*in;
}
void OpDir (const Field &in, Field &out,int dir,int disp) {
_Mat.Mdir(in,out,dir,disp);
}
void OpDirAll (const Field &in, std::vector<Field> &out){
_Mat.MdirAll(in,out);
};
void Op (const Field &in, Field &out){
_Mat.M(in,out);
out = out + shift * in;
}
void AdjOp (const Field &in, Field &out){
_Mat.Mdag(in,out);
out = out + shift * in;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
GRID_ASSERT(0);
}
void HermOp(const Field &in, Field &out){
GRID_ASSERT(0);
}
};
//////////////////////////////////////////////////////////
// Even Odd Schur decomp operators; there are several
// ways to introduce the even odd checkerboarding
//////////////////////////////////////////////////////////
template<class Field>
class SchurOperatorBase : public LinearOperatorBase<Field> {
public:
virtual void Mpc (const Field &in, Field &out) =0;
virtual void MpcDag (const Field &in, Field &out) =0;
virtual void MpcDagMpc(const Field &in, Field &out) {
Field tmp(in.Grid());
tmp.Checkerboard() = in.Checkerboard();
Mpc(in,tmp);
MpcDag(tmp,out);
}
virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
out.Checkerboard() = in.Checkerboard();
MpcDagMpc(in,out);
ComplexD dot= innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
virtual void HermOp(const Field &in, Field &out){
out.Checkerboard() = in.Checkerboard();
MpcDagMpc(in,out);
}
void Op (const Field &in, Field &out){
Mpc(in,out);
}
void AdjOp (const Field &in, Field &out){
MpcDag(in,out);
}
// Support for coarsening to a multigrid
void OpDiag (const Field &in, Field &out) {
GRID_ASSERT(0); // must coarsen the unpreconditioned system
}
void OpDir (const Field &in, Field &out,int dir,int disp) {
GRID_ASSERT(0);
}
void OpDirAll (const Field &in, std::vector<Field> &out){
GRID_ASSERT(0);
};
};
template<class Matrix,class Field>
class SchurDiagMooeeOperator : public SchurOperatorBase<Field> {
public:
Matrix &_Mat;
SchurDiagMooeeOperator (Matrix &Mat): _Mat(Mat){};
virtual void Mpc (const Field &in, Field &out) {
Field tmp(in.Grid());
tmp.Checkerboard() = !in.Checkerboard();
_Mat.Meooe(in,tmp);
_Mat.MooeeInv(tmp,out);
_Mat.Meooe(out,tmp);
_Mat.Mooee(in,out);
axpy(out,-1.0,tmp,out);
}
virtual void MpcDag (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.MeooeDag(in,tmp);
_Mat.MooeeInvDag(tmp,out);
_Mat.MeooeDag(out,tmp);
_Mat.MooeeDag(in,out);
axpy(out,-1.0,tmp,out);
}
};
template<class Matrix,class Field>
class SchurDiagOneOperator : public SchurOperatorBase<Field> {
protected:
Matrix &_Mat;
public:
SchurDiagOneOperator (Matrix &Mat): _Mat(Mat){};
virtual void Mpc (const Field &in, Field &out) {
Field tmp(in.Grid());
_Mat.Meooe(in,out);
_Mat.MooeeInv(out,tmp);
_Mat.Meooe(tmp,out);
_Mat.MooeeInv(out,tmp);
axpy(out,-1.0,tmp,in);
}
virtual void MpcDag (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.MooeeInvDag(in,out);
_Mat.MeooeDag(out,tmp);
_Mat.MooeeInvDag(tmp,out);
_Mat.MeooeDag(out,tmp);
axpy(out,-1.0,tmp,in);
}
};
template<class Matrix,class Field>
class SchurDiagTwoOperator : public SchurOperatorBase<Field> {
protected:
Matrix &_Mat;
public:
SchurDiagTwoOperator (Matrix &Mat): _Mat(Mat){};
virtual void Mpc (const Field &in, Field &out) {
Field tmp(in.Grid());
_Mat.MooeeInv(in,out);
_Mat.Meooe(out,tmp);
_Mat.MooeeInv(tmp,out);
_Mat.Meooe(out,tmp);
axpy(out,-1.0,tmp,in);
}
virtual void MpcDag (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.MeooeDag(in,out);
_Mat.MooeeInvDag(out,tmp);
_Mat.MeooeDag(tmp,out);
_Mat.MooeeInvDag(out,tmp);
axpy(out,-1.0,tmp,in);
}
};
template<class Field>
class NonHermitianSchurOperatorBase : public LinearOperatorBase<Field>
{
public:
virtual void Mpc (const Field& in, Field& out) = 0;
virtual void MpcDag (const Field& in, Field& out) = 0;
virtual void MpcDagMpc(const Field& in, Field& out) {
Field tmp(in.Grid());
tmp.Checkerboard() = in.Checkerboard();
Mpc(in,tmp);
MpcDag(tmp,out);
}
virtual void HermOpAndNorm(const Field& in, Field& out, RealD& n1, RealD& n2) {
GRID_ASSERT(0);
}
virtual void HermOp(const Field& in, Field& out) {
GRID_ASSERT(0);
}
void Op(const Field& in, Field& out) {
Mpc(in, out);
}
void AdjOp(const Field& in, Field& out) {
MpcDag(in, out);
}
// Support for coarsening to a multigrid
void OpDiag(const Field& in, Field& out) {
GRID_ASSERT(0); // must coarsen the unpreconditioned system
}
void OpDir(const Field& in, Field& out, int dir, int disp) {
GRID_ASSERT(0);
}
void OpDirAll(const Field& in, std::vector<Field>& out){
GRID_ASSERT(0);
};
};
template<class Matrix, class Field>
class NonHermitianSchurDiagMooeeOperator : public NonHermitianSchurOperatorBase<Field>
{
public:
Matrix& _Mat;
NonHermitianSchurDiagMooeeOperator(Matrix& Mat): _Mat(Mat){};
virtual void Mpc(const Field& in, Field& out) {
Field tmp(in.Grid());
tmp.Checkerboard() = !in.Checkerboard();
_Mat.Meooe(in, tmp);
_Mat.MooeeInv(tmp, out);
_Mat.Meooe(out, tmp);
_Mat.Mooee(in, out);
axpy(out, -1.0, tmp, out);
}
virtual void MpcDag(const Field& in, Field& out) {
Field tmp(in.Grid());
_Mat.MeooeDag(in, tmp);
_Mat.MooeeInvDag(tmp, out);
_Mat.MeooeDag(out, tmp);
_Mat.MooeeDag(in, out);
axpy(out, -1.0, tmp, out);
}
};
template<class Matrix,class Field>
class NonHermitianSchurDiagOneOperator : public NonHermitianSchurOperatorBase<Field>
{
protected:
Matrix &_Mat;
public:
NonHermitianSchurDiagOneOperator (Matrix& Mat): _Mat(Mat){};
virtual void Mpc(const Field& in, Field& out) {
Field tmp(in.Grid());
_Mat.Meooe(in, out);
_Mat.MooeeInv(out, tmp);
_Mat.Meooe(tmp, out);
_Mat.MooeeInv(out, tmp);
axpy(out, -1.0, tmp, in);
}
virtual void MpcDag(const Field& in, Field& out) {
Field tmp(in.Grid());
_Mat.MooeeInvDag(in, out);
_Mat.MeooeDag(out, tmp);
_Mat.MooeeInvDag(tmp, out);
_Mat.MeooeDag(out, tmp);
axpy(out, -1.0, tmp, in);
}
};
template<class Matrix, class Field>
class NonHermitianSchurDiagTwoOperator : public NonHermitianSchurOperatorBase<Field>
{
protected:
Matrix& _Mat;
public:
NonHermitianSchurDiagTwoOperator(Matrix& Mat): _Mat(Mat){};
virtual void Mpc(const Field& in, Field& out) {
Field tmp(in.Grid());
_Mat.MooeeInv(in, out);
_Mat.Meooe(out, tmp);
_Mat.MooeeInv(tmp, out);
_Mat.Meooe(out, tmp);
axpy(out, -1.0, tmp, in);
}
virtual void MpcDag(const Field& in, Field& out) {
Field tmp(in.Grid());
_Mat.MeooeDag(in, out);
_Mat.MooeeInvDag(out, tmp);
_Mat.MeooeDag(tmp, out);
_Mat.MooeeInvDag(out, tmp);
axpy(out, -1.0, tmp, in);
}
};
///////////////////////////////////////////////////////////////////////////////////////////////////
// Left handed Moo^-1 ; (Moo - Moe Mee^-1 Meo) psi = eta --> ( 1 - Moo^-1 Moe Mee^-1 Meo ) psi = Moo^-1 eta
// Right handed Moo^-1 ; (Moo - Moe Mee^-1 Meo) Moo^-1 Moo psi = eta --> ( 1 - Moe Mee^-1 Meo Moo^-1) phi=eta ; psi = Moo^-1 phi
///////////////////////////////////////////////////////////////////////////////////////////////////
template<class Matrix,class Field> using SchurDiagOneRH = SchurDiagTwoOperator<Matrix,Field> ;
template<class Matrix,class Field> using SchurDiagOneLH = SchurDiagOneOperator<Matrix,Field> ;
///////////////////////////////////////////////////////////////////////////////////////////////////
// Staggered use
///////////////////////////////////////////////////////////////////////////////////////////////////
template<class Matrix,class Field>
class SchurStaggeredOperator : public SchurOperatorBase<Field> {
protected:
Matrix &_Mat;
Field tmp;
RealD mass;
public:
SchurStaggeredOperator (Matrix &Mat): _Mat(Mat), tmp(_Mat.RedBlackGrid())
{
GRID_ASSERT( _Mat.isTrivialEE() );
mass = _Mat.Mass();
}
virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
Mpc(in,out);
ComplexD dot= innerProduct(in,out);
n1 = real(dot);
n2 =0.0;
}
virtual void HermOp(const Field &in, Field &out){
Mpc(in,out);
// _Mat.Meooe(in,out);
// _Mat.Meooe(out,tmp);
// axpby(out,-1.0,mass*mass,tmp,in);
}
virtual void Mpc (const Field &in, Field &out)
{
Field tmp(in.Grid());
Field tmp2(in.Grid());
// _Mat.Mooee(in,out);
// _Mat.Mooee(out,tmp);
_Mat.Meooe(in,out);
_Mat.Meooe(out,tmp);
axpby(out,-1.0,mass*mass,tmp,in);
}
virtual void MpcDag (const Field &in, Field &out){
Mpc(in,out);
}
virtual void MpcDagMpc(const Field &in, Field &out) {
GRID_ASSERT(0);// Never need with staggered
}
};
template<class Matrix,class Field> using SchurStagOperator = SchurStaggeredOperator<Matrix,Field>;
/////////////////////////////////////////////////////////////
// Base classes for functions of operators
/////////////////////////////////////////////////////////////
template<class Field> class OperatorFunction {
public:
virtual void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) = 0;
virtual void operator() (LinearOperatorBase<Field> &Linop, const std::vector<Field> &in,std::vector<Field> &out) {
GRID_ASSERT(in.size()==out.size());
for(int k=0;k<in.size();k++){
(*this)(Linop,in[k],out[k]);
}
};
virtual ~OperatorFunction(){};
};
template<class Field> class LinearFunction {
public:
virtual void operator() (const Field &in, Field &out) = 0;
virtual void operator() (const std::vector<Field> &in, std::vector<Field> &out)
{
GRID_ASSERT(in.size() == out.size());
for (unsigned int i = 0; i < in.size(); ++i)
{
(*this)(in[i], out[i]);
}
}
// The identity, if a derived class says so. A caller can then use its input
// where it would otherwise have materialised the output, and skip the copy.
virtual int isTrivial(void) { return 0; };
virtual ~LinearFunction(){};
};
template<class Field> class IdentityLinearFunction : public LinearFunction<Field> {
public:
void operator() (const Field &in, Field &out){
out = in;
};
};
/////////////////////////////////////////////////////////////
// Base classes for Multishift solvers for operators
/////////////////////////////////////////////////////////////
template<class Field> class OperatorMultiFunction {
public:
virtual void operator() (LinearOperatorBase<Field> &Linop, const Field &in, std::vector<Field> &out) = 0;
};
// FIXME : To think about
// Chroma functionality list defining LinearOperator
/*
virtual void operator() (T& chi, const T& psi, enum PlusMinus isign) const = 0;
virtual void operator() (T& chi, const T& psi, enum PlusMinus isign, Real epsilon) const
virtual const Subset& subset() const = 0;
virtual unsigned long nFlops() const { return 0; }
virtual void deriv(P& ds_u, const T& chi, const T& psi, enum PlusMinus isign) const
class UnprecLinearOperator : public DiffLinearOperator<T,P,Q>
const Subset& subset() const {return all;}
};
*/
////////////////////////////////////////////////////////////////////////////////////////////
// Hermitian operator Linear function and operator function
////////////////////////////////////////////////////////////////////////////////////////////
template<class Field>
class HermOpOperatorFunction : public OperatorFunction<Field> {
void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
Linop.HermOp(in,out);
};
};
template<typename Field>
class PlainHermOp : public LinearFunction<Field> {
public:
using LinearFunction<Field>::operator();
LinearOperatorBase<Field> &_Linop;
PlainHermOp(LinearOperatorBase<Field>& linop) : _Linop(linop)
{}
void operator()(const Field& in, Field& out) {
_Linop.HermOp(in,out);
}
};
template<typename Field>
class FunctionHermOp : public LinearFunction<Field> {
public:
using LinearFunction<Field>::operator();
OperatorFunction<Field> & _poly;
LinearOperatorBase<Field> &_Linop;
FunctionHermOp(OperatorFunction<Field> & poly,LinearOperatorBase<Field>& linop)
: _poly(poly), _Linop(linop) {};
void operator()(const Field& in, Field& out) {
_poly(_Linop,in,out);
}
};
template<class Field>
class Polynomial : public OperatorFunction<Field> {
private:
std::vector<RealD> Coeffs;
public:
using OperatorFunction<Field>::operator();
Polynomial(std::vector<RealD> &_Coeffs) : Coeffs(_Coeffs) { };
// Implement the required interface
void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
Field AtoN(in.Grid());
Field Mtmp(in.Grid());
AtoN = in;
out = AtoN*Coeffs[0];
for(int n=1;n<Coeffs.size();n++){
Mtmp = AtoN;
Linop.HermOp(Mtmp,AtoN);
out=out+AtoN*Coeffs[n];
}
};
};
NAMESPACE_END(Grid);
-53
View File
@@ -1,53 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/Preconditioner.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_PRECONDITIONER_H
#define GRID_PRECONDITIONER_H
NAMESPACE_BEGIN(Grid);
template<class Field> using Preconditioner = LinearFunction<Field> ;
/*
template<class Field> class Preconditioner : public LinearFunction<Field> {
using LinearFunction<Field>::operator();
virtual void operator()(const Field &src, Field & psi)=0;
};
*/
template<class Field> class TrivialPrecon : public Preconditioner<Field> {
public:
using Preconditioner<Field>::operator();
virtual void operator()(const Field &src, Field & psi){
psi = src;
}
virtual int isTrivial(void) { return 1; };
TrivialPrecon(void){};
};
NAMESPACE_END(Grid);
#endif
-86
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@@ -1,86 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/SparseMatrix.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_ALGORITHM_SPARSE_MATRIX_H
#define GRID_ALGORITHM_SPARSE_MATRIX_H
NAMESPACE_BEGIN(Grid);
/////////////////////////////////////////////////////////////////////////////////////////////
// Interface defining what I expect of a general sparse matrix, such as a Fermion action
/////////////////////////////////////////////////////////////////////////////////////////////
template<class Field> class SparseMatrixBase {
public:
virtual GridBase *Grid(void) =0;
// Full checkerboar operations
virtual void M (const Field &in, Field &out)=0;
virtual void Mdag (const Field &in, Field &out)=0;
virtual void MdagM(const Field &in, Field &out) {
Field tmp (in.Grid());
M(in,tmp);
Mdag(tmp,out);
}
virtual void MMdag(const Field &in, Field &out) {
Field tmp (in.Grid());
Mdag(in,tmp);
M(tmp,out);
}
virtual void Mdiag (const Field &in, Field &out)=0;
virtual void Mdir (const Field &in, Field &out,int dir, int disp)=0;
virtual void MdirAll (const Field &in, std::vector<Field> &out)=0;
virtual ~SparseMatrixBase() {};
};
/////////////////////////////////////////////////////////////////////////////////////////////
// Interface augmented by a red black sparse matrix, such as a Fermion action
/////////////////////////////////////////////////////////////////////////////////////////////
template<class Field> class CheckerBoardedSparseMatrixBase : public SparseMatrixBase<Field> {
public:
virtual GridBase *RedBlackGrid(void)=0;
//////////////////////////////////////////////////////////////////////
// Query the even even properties to make algorithmic decisions
//////////////////////////////////////////////////////////////////////
virtual RealD Mass(void) { return 0.0; };
virtual int ConstEE(void) { return 1; }; // Disable assumptions unless overridden
virtual int isTrivialEE(void) { return 0; }; // by a derived class that knows better
// half checkerboard operaions
virtual void Meooe (const Field &in, Field &out)=0;
virtual void Mooee (const Field &in, Field &out)=0;
virtual void MooeeInv (const Field &in, Field &out)=0;
virtual void MeooeDag (const Field &in, Field &out)=0;
virtual void MooeeDag (const Field &in, Field &out)=0;
virtual void MooeeInvDag (const Field &in, Field &out)=0;
virtual ~CheckerBoardedSparseMatrixBase() {};
};
NAMESPACE_END(Grid);
#endif
-416
View File
@@ -1,416 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/approx/Chebyshev.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: paboyle <paboyle@ph.ed.ac.uk>
Author: Christoph Lehner <clehner@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_CHEBYSHEV_H
#define GRID_CHEBYSHEV_H
#include <Grid/algorithms/LinearOperator.h>
NAMESPACE_BEGIN(Grid);
struct ChebyParams : Serializable {
GRID_SERIALIZABLE_CLASS_MEMBERS(ChebyParams,
RealD, alpha,
RealD, beta,
int, Npoly);
};
////////////////////////////////////////////////////////////////////////////////////////////
// Generic Chebyshev approximations
////////////////////////////////////////////////////////////////////////////////////////////
template<class Field>
class Chebyshev : public OperatorFunction<Field> {
private:
using OperatorFunction<Field>::operator();
std::vector<RealD> Coeffs;
int order;
RealD hi;
RealD lo;
public:
void csv(std::ostream &out){
RealD diff = hi-lo;
RealD delta = diff*1.0e-9;
for (RealD x=lo; x<hi; x+=delta) {
delta*=1.02;
RealD f = approx(x);
out<< x<<" "<<f<<std::endl;
}
return;
}
// Convenience for plotting the approximation
void PlotApprox(std::ostream &out) {
out<<"Polynomial approx ["<<lo<<","<<hi<<"]"<<std::endl;
for(RealD x=lo;x<hi;x+=(hi-lo)/50.0){
out <<x<<"\t"<<approx(x)<<std::endl;
}
};
Chebyshev(){};
Chebyshev(ChebyParams p){ Init(p.alpha,p.beta,p.Npoly);};
Chebyshev(RealD _lo,RealD _hi,int _order, RealD (* func)(RealD) ) {Init(_lo,_hi,_order,func);};
Chebyshev(RealD _lo,RealD _hi,int _order) {Init(_lo,_hi,_order);};
////////////////////////////////////////////////////////////////////////////////////////////////////
// c.f. numerical recipes "chebft"/"chebev". This is sec 5.8 "Chebyshev approximation".
////////////////////////////////////////////////////////////////////////////////////////////////////
// CJ: the one we need for Lanczos
void Init(RealD _lo,RealD _hi,int _order)
{
lo=_lo;
hi=_hi;
order=_order;
if(order < 2) exit(-1);
Coeffs.resize(order,0.0);
Coeffs[order-1] = 1.0;
};
// PB - more efficient low pass drops high modes above the low as 1/x uses all Chebyshev's.
// Similar kick effect below the threshold as Lanczos filter approach
void InitLowPass(RealD _lo,RealD _hi,int _order)
{
lo=_lo;
hi=_hi;
order=_order;
if(order < 2) exit(-1);
Coeffs.resize(order);
for(int j=0;j<order;j++){
RealD k=(order-1.0);
RealD s=std::cos( j*M_PI*(k+0.5)/order );
Coeffs[j] = s * 2.0/order;
}
};
void Init(RealD _lo,RealD _hi,int _order, RealD (* func)(RealD))
{
lo=_lo;
hi=_hi;
order=_order;
if(order < 2) exit(-1);
Coeffs.resize(order);
for(int j=0;j<order;j++){
RealD s=0;
for(int k=0;k<order;k++){
RealD y=std::cos(M_PI*(k+0.5)/order);
RealD x=0.5*(y*(hi-lo)+(hi+lo));
RealD f=func(x);
s=s+f*std::cos( j*M_PI*(k+0.5)/order );
}
Coeffs[j] = s * 2.0/order;
}
};
template<class functor>
void Init(RealD _lo,RealD _hi,int _order, functor & func)
{
lo=_lo;
hi=_hi;
order=_order;
if(order < 2) exit(-1);
Coeffs.resize(order);
for(int j=0;j<order;j++){
RealD s=0;
for(int k=0;k<order;k++){
RealD y=std::cos(M_PI*(k+0.5)/order);
RealD x=0.5*(y*(hi-lo)+(hi+lo));
RealD f=func(x);
s=s+f*std::cos( j*M_PI*(k+0.5)/order );
}
Coeffs[j] = s * 2.0/order;
}
};
void JacksonSmooth(void){
RealD M=order;
RealD alpha = M_PI/(M+2);
RealD lmax = std::cos(alpha);
RealD sumUsq =0;
std::vector<RealD> U(M);
std::vector<RealD> a(M);
std::vector<RealD> g(M);
for(int n=0;n<=M;n++){
U[n] = std::sin((n+1)*std::acos(lmax))/std::sin(std::acos(lmax));
sumUsq += U[n]*U[n];
}
sumUsq = std::sqrt(sumUsq);
for(int i=1;i<=M;i++){
a[i] = U[i]/sumUsq;
}
g[0] = 1.0;
for(int m=1;m<=M;m++){
g[m] = 0;
for(int i=0;i<=M-m;i++){
g[m]+= a[i]*a[m+i];
}
}
for(int m=1;m<=M;m++){
Coeffs[m]*=g[m];
}
}
RealD approx(RealD x) // Convenience for plotting the approximation
{
RealD Tn;
RealD Tnm;
RealD Tnp;
RealD y=( x-0.5*(hi+lo))/(0.5*(hi-lo));
RealD T0=1;
RealD T1=y;
RealD sum;
sum = 0.5*Coeffs[0]*T0;
sum+= Coeffs[1]*T1;
Tn =T1;
Tnm=T0;
for(int i=2;i<order;i++){
Tnp=2*y*Tn-Tnm;
Tnm=Tn;
Tn =Tnp;
sum+= Tn*Coeffs[i];
}
return sum;
};
RealD approxD(RealD x)
{
RealD Un;
RealD Unm;
RealD Unp;
RealD y=( x-0.5*(hi+lo))/(0.5*(hi-lo));
RealD U0=1;
RealD U1=2*y;
RealD sum;
sum = Coeffs[1]*U0;
sum+= Coeffs[2]*U1*2.0;
Un =U1;
Unm=U0;
for(int i=2;i<order-1;i++){
Unp=2*y*Un-Unm;
Unm=Un;
Un =Unp;
sum+= Un*Coeffs[i+1]*(i+1.0);
}
return sum/(0.5*(hi-lo));
};
RealD approxInv(RealD z, RealD x0, int maxiter, RealD resid) {
RealD x = x0;
RealD eps;
int i;
for (i=0;i<maxiter;i++) {
eps = approx(x) - z;
if (fabs(eps / z) < resid)
return x;
x = x - eps / approxD(x);
}
return std::numeric_limits<double>::quiet_NaN();
}
// Implement the required interface
void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
GridBase *grid=in.Grid();
int vol=grid->gSites();
typedef typename Field::vector_type vector_type;
Field T0(grid); T0 = in;
Field T1(grid);
Field T2(grid);
Field y(grid);
Field *Tnm = &T0;
Field *Tn = &T1;
Field *Tnp = &T2;
// Tn=T1 = (xscale M + mscale)in
RealD xscale = 2.0/(hi-lo);
RealD mscale = -(hi+lo)/(hi-lo);
Linop.HermOp(T0,y);
grid->Barrier();
axpby(T1,xscale,mscale,y,in);
grid->Barrier();
// sum = .5 c[0] T0 + c[1] T1
// out = ()*T0 + Coeffs[1]*T1;
axpby(out,0.5*Coeffs[0],Coeffs[1],T0,T1);
for(int n=2;n<order;n++){
Linop.HermOp(*Tn,y);
axpby(y,xscale,mscale,y,(*Tn));
axpby(*Tnp,2.0,-1.0,y,(*Tnm));
if ( Coeffs[n] != 0.0) {
axpy(out,Coeffs[n],*Tnp,out);
}
// Cycle pointers to avoid copies
Field *swizzle = Tnm;
Tnm =Tn;
Tn =Tnp;
Tnp =swizzle;
}
}
};
template<class Field>
class ChebyshevLanczos : public Chebyshev<Field> {
private:
std::vector<RealD> Coeffs;
int order;
RealD alpha;
RealD beta;
RealD mu;
public:
ChebyshevLanczos(RealD _alpha,RealD _beta,RealD _mu,int _order) :
alpha(_alpha),
beta(_beta),
mu(_mu)
{
order=_order;
Coeffs.resize(order);
for(int i=0;i<_order;i++){
Coeffs[i] = 0.0;
}
Coeffs[order-1]=1.0;
};
void csv(std::ostream &out){
for (RealD x=-1.2*alpha; x<1.2*alpha; x+=(2.0*alpha)/10000) {
RealD f = approx(x);
out<< x<<" "<<f<<std::endl;
}
return;
}
RealD approx(RealD xx) // Convenience for plotting the approximation
{
RealD Tn;
RealD Tnm;
RealD Tnp;
Real aa = alpha * alpha;
Real bb = beta * beta;
RealD x = ( 2.0 * (xx-mu)*(xx-mu) - (aa+bb) ) / (aa-bb);
RealD y= x;
RealD T0=1;
RealD T1=y;
RealD sum;
sum = 0.5*Coeffs[0]*T0;
sum+= Coeffs[1]*T1;
Tn =T1;
Tnm=T0;
for(int i=2;i<order;i++){
Tnp=2*y*Tn-Tnm;
Tnm=Tn;
Tn =Tnp;
sum+= Tn*Coeffs[i];
}
return sum;
};
// shift_Multiply in Rudy's code
void AminusMuSq(LinearOperatorBase<Field> &Linop, const Field &in, Field &out)
{
GridBase *grid=in.Grid();
Field tmp(grid);
RealD aa= alpha*alpha;
RealD bb= beta * beta;
Linop.HermOp(in,out);
out = out - mu*in;
Linop.HermOp(out,tmp);
tmp = tmp - mu * out;
out = (2.0/ (aa-bb) ) * tmp - ((aa+bb)/(aa-bb))*in;
};
// Implement the required interface
void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
GridBase *grid=in.Grid();
int vol=grid->gSites();
Field T0(grid); T0 = in;
Field T1(grid);
Field T2(grid);
Field y(grid);
Field *Tnm = &T0;
Field *Tn = &T1;
Field *Tnp = &T2;
// Tn=T1 = (xscale M )*in
AminusMuSq(Linop,T0,T1);
// sum = .5 c[0] T0 + c[1] T1
out = (0.5*Coeffs[0])*T0 + Coeffs[1]*T1;
for(int n=2;n<order;n++){
AminusMuSq(Linop,*Tn,y);
*Tnp=2.0*y-(*Tnm);
out=out+Coeffs[n]* (*Tnp);
// Cycle pointers to avoid copies
Field *swizzle = Tnm;
Tnm =Tn;
Tn =Tnp;
Tnp =swizzle;
}
}
};
NAMESPACE_END(Grid);
#endif
-152
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@@ -1,152 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/approx/Forecast.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: paboyle <paboyle@ph.ed.ac.uk>
Author: David Murphy <dmurphy@phys.columbia.edu>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef INCLUDED_FORECAST_H
#define INCLUDED_FORECAST_H
NAMESPACE_BEGIN(Grid);
// Abstract base class.
// Takes a matrix (Mat), a source (phi), and a vector of Fields (chi)
// and returns a forecasted solution to the system D*psi = phi (psi).
template<class Matrix, class Field>
class Forecast
{
public:
virtual Field operator()(Matrix &Mat, const Field& phi, const std::vector<Field>& chi) = 0;
};
// Implementation of Brower et al.'s chronological inverter (arXiv:hep-lat/9509012),
// used to forecast solutions across poles of the EOFA heatbath.
//
// Modified from CPS (cps_pp/src/util/dirac_op/d_op_base/comsrc/minresext.C)
template<class Matrix, class Field>
class ChronoForecast : public Forecast<Matrix,Field>
{
public:
Field operator()(Matrix &Mat, const Field& phi, const std::vector<Field>& prev_solns)
{
int degree = prev_solns.size();
Field chi(phi); // forecasted solution
// Trivial cases
if(degree == 0){ chi = Zero(); return chi; }
else if(degree == 1){ return prev_solns[0]; }
// RealD dot;
ComplexD xp;
Field r(phi); // residual
Field Mv(phi);
std::vector<Field> v(prev_solns); // orthonormalized previous solutions
std::vector<Field> MdagMv(degree,phi);
// Array to hold the matrix elements
std::vector<std::vector<ComplexD>> G(degree, std::vector<ComplexD>(degree));
// Solution and source vectors
std::vector<ComplexD> a(degree);
std::vector<ComplexD> b(degree);
// Orthonormalize the vector basis
for(int i=0; i<degree; i++){
v[i] *= 1.0/std::sqrt(norm2(v[i]));
for(int j=i+1; j<degree; j++){ v[j] -= innerProduct(v[i],v[j]) * v[i]; }
}
// Perform sparse matrix multiplication and construct rhs
for(int i=0; i<degree; i++){
b[i] = innerProduct(v[i],phi);
Mat.M(v[i],Mv);
Mat.Mdag(Mv,MdagMv[i]);
G[i][i] = innerProduct(v[i],MdagMv[i]);
}
// Construct the matrix
for(int j=0; j<degree; j++){
for(int k=j+1; k<degree; k++){
G[j][k] = innerProduct(v[j],MdagMv[k]);
G[k][j] = conjugate(G[j][k]);
}}
// Gauss-Jordan elimination with partial pivoting
for(int i=0; i<degree; i++){
// Perform partial pivoting
int k = i;
for(int j=i+1; j<degree; j++){ if(abs(G[j][j]) > abs(G[k][k])){ k = j; } }
if(k != i){
xp = b[k];
b[k] = b[i];
b[i] = xp;
for(int j=0; j<degree; j++){
xp = G[k][j];
G[k][j] = G[i][j];
G[i][j] = xp;
}
}
// Convert matrix to upper triangular form
for(int j=i+1; j<degree; j++){
xp = G[j][i]/G[i][i];
b[j] -= xp * b[i];
for(int k=0; k<degree; k++){ G[j][k] -= xp*G[i][k]; }
}
}
// Use Gaussian elimination to solve equations and calculate initial guess
chi = Zero();
r = phi;
for(int i=degree-1; i>=0; i--){
a[i] = 0.0;
for(int j=i+1; j<degree; j++){ a[i] += G[i][j] * a[j]; }
a[i] = (b[i]-a[i])/G[i][i];
chi += a[i]*v[i];
r -= a[i]*MdagMv[i];
}
RealD true_r(0.0);
ComplexD tmp;
for(int i=0; i<degree; i++){
tmp = -b[i];
for(int j=0; j<degree; j++){ tmp += G[i][j]*a[j]; }
tmp = conjugate(tmp)*tmp;
true_r += std::sqrt(tmp.real());
}
RealD error = std::sqrt(norm2(r)/norm2(phi));
std::cout << GridLogMessage << "ChronoForecast: |res|/|src| = " << error << std::endl;
return chi;
};
};
NAMESPACE_END(Grid);
#endif
-129
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#ifndef GRID_JACOBIPOLYNOMIAL_H
#define GRID_JACOBIPOLYNOMIAL_H
#include <Grid/algorithms/LinearOperator.h>
NAMESPACE_BEGIN(Grid);
template<class Field>
class JacobiPolynomial : public OperatorFunction<Field> {
private:
using OperatorFunction<Field>::operator();
int order;
RealD hi;
RealD lo;
RealD alpha;
RealD beta;
public:
void csv(std::ostream &out){
csv(out,lo,hi);
}
void csv(std::ostream &out,RealD llo,RealD hhi){
RealD diff = hhi-llo;
RealD delta = diff*1.0e-5;
for (RealD x=llo-delta; x<=hhi; x+=delta) {
RealD f = approx(x);
out<< x<<" "<<f <<std::endl;
}
return;
}
JacobiPolynomial(){};
JacobiPolynomial(RealD _lo,RealD _hi,int _order,RealD _alpha, RealD _beta)
{
lo=_lo;
hi=_hi;
alpha=_alpha;
beta=_beta;
order=_order;
};
RealD approx(RealD x) // Convenience for plotting the approximation
{
RealD Tn;
RealD Tnm;
RealD Tnp;
RealD y=( x-0.5*(hi+lo))/(0.5*(hi-lo));
RealD T0=1.0;
RealD T1=(alpha-beta)*0.5+(alpha+beta+2.0)*0.5*y;
Tn =T1;
Tnm=T0;
for(int n=2;n<=order;n++){
RealD cnp = 2.0*n*(n+alpha+beta)*(2.0*n-2.0+alpha+beta);
RealD cny = (2.0*n-2.0+alpha+beta)*(2.0*n-1.0+alpha+beta)*(2.0*n+alpha+beta);
RealD cn1 = (2.0*n+alpha+beta-1.0)*(alpha*alpha-beta*beta);
RealD cnm = - 2.0*(n+alpha-1.0)*(n+beta-1.0)*(2.0*n+alpha+beta);
Tnp= ( cny * y *Tn + cn1 * Tn + cnm * Tnm )/ cnp;
Tnm=Tn;
Tn =Tnp;
}
return Tnp;
};
// Implement the required interface
void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
GridBase *grid=in.Grid();
int vol=grid->gSites();
Field T0(grid);
Field T1(grid);
Field T2(grid);
Field y(grid);
Field *Tnm = &T0;
Field *Tn = &T1;
Field *Tnp = &T2;
// RealD T0=1.0;
T0=in;
// RealD y=( x-0.5*(hi+lo))/(0.5*(hi-lo));
// = x * 2/(hi-lo) - (hi+lo)/(hi-lo)
Linop.HermOp(T0,y);
RealD xscale = 2.0/(hi-lo);
RealD mscale = -(hi+lo)/(hi-lo);
Linop.HermOp(T0,y);
y=y*xscale+in*mscale;
// RealD T1=(alpha-beta)*0.5+(alpha+beta+2.0)*0.5*y;
RealD halfAmB = (alpha-beta)*0.5;
RealD halfApBp2= (alpha+beta+2.0)*0.5;
T1 = halfAmB * in + halfApBp2*y;
for(int n=2;n<=order;n++){
Linop.HermOp(*Tn,y);
y=xscale*y+mscale*(*Tn);
RealD cnp = 2.0*n*(n+alpha+beta)*(2.0*n-2.0+alpha+beta);
RealD cny = (2.0*n-2.0+alpha+beta)*(2.0*n-1.0+alpha+beta)*(2.0*n+alpha+beta);
RealD cn1 = (2.0*n+alpha+beta-1.0)*(alpha*alpha-beta*beta);
RealD cnm = - 2.0*(n+alpha-1.0)*(n+beta-1.0)*(2.0*n+alpha+beta);
// Tnp= ( cny * y *Tn + cn1 * Tn + cnm * Tnm )/ cnp;
cny=cny/cnp;
cn1=cn1/cnp;
cn1=cn1/cnp;
cnm=cnm/cnp;
*Tnp=cny*y + cn1 *(*Tn) + cnm * (*Tnm);
// Cycle pointers to avoid copies
Field *swizzle = Tnm;
Tnm =Tn;
Tn =Tnp;
Tnp =swizzle;
}
out=*Tnp;
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,57 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/approx/MultiShiftFunction.cc
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#include <Grid/GridCore.h>
NAMESPACE_BEGIN(Grid);
double MultiShiftFunction::approx(double x)
{
double a = norm;
for(int n=0;n<poles.size();n++){
a = a + residues[n]/(x+poles[n]);
}
return a;
}
void MultiShiftFunction::gnuplot(std::ostream &out)
{
out<<"f(x) = "<<norm<<"";
for(int n=0;n<poles.size();n++){
out<<"+("<<residues[n]<<"/(x+"<<poles[n]<<"))";
}
out<<";"<<std::endl;
}
void MultiShiftFunction::csv(std::ostream &out)
{
for (double x=lo; x<hi; x*=1.05) {
double f = approx(x);
double r = sqrt(x);
out<< x<<","<<r<<","<<f<<","<<r-f<<std::endl;
}
return;
}
NAMESPACE_END(Grid);
@@ -1,67 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/approx/MultiShiftFunction.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef MULTI_SHIFT_FUNCTION
#define MULTI_SHIFT_FUNCTION
NAMESPACE_BEGIN(Grid);
class MultiShiftFunction {
public:
int order;
std::vector<RealD> poles;
std::vector<RealD> residues;
std::vector<RealD> tolerances;
RealD norm;
RealD lo,hi;
MultiShiftFunction(int n,RealD _lo,RealD _hi): poles(n), residues(n), tolerances(n), lo(_lo), hi(_hi) {;};
RealD approx(RealD x);
void csv(std::ostream &out);
void gnuplot(std::ostream &out);
void Init(AlgRemez & remez,double tol,bool inverse)
{
order=remez.getDegree();
tolerances.resize(remez.getDegree(),tol);
poles.resize(remez.getDegree());
residues.resize(remez.getDegree());
remez.getBounds(lo,hi);
if ( inverse ) remez.getIPFE (&residues[0],&poles[0],&norm);
else remez.getPFE (&residues[0],&poles[0],&norm);
}
// Allow deferred initialisation
MultiShiftFunction(void){};
MultiShiftFunction(AlgRemez & remez,double tol,bool inverse)
{
Init(remez,tol,inverse);
}
};
NAMESPACE_END(Grid);
#endif
-80
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@@ -1,80 +0,0 @@
-----------------------------------------------------------------------------------
PAB. Took Mike Clark's AlgRemez from GitHub and (modified a little) include.
This is open source and license and readme and comments are preserved consistent
with the license. Mike, thankyou!
-----------------------------------------------------------------------------------
-----------------------------------------------------------------------------------
AlgRemez
The archive downloadable here contains an implementation of the Remez
algorithm which calculates optimal rational (and polynomial)
approximations to the nth root over a given spectral range. The Remez
algorithm, although in principle is extremely straightforward to
program, is quite difficult to get completely correct, e.g., the Maple
implementation of the algorithm does not always converge to the
correct answer.
To use this algorithm you need to install GMP, the GNU Multiple
Precision Library, and when configuring the install, you must include
the --enable-mpfr option (see the GMP manual for more details). You
also have to edit the Makefile for AlgRemez appropriately for your
system, namely to point corrrectly to the location of the GMP library.
The simple main program included with this archive invokes the
AlgRemez class to calculate an approximation given by command line
arguments. It is invoked by the following
./test y z n d lambda_low lambda_high precision,
where the function to be approximated is f(x) = x^(y/z), with degree
(n,d) over the spectral range [lambda_low, lambda_high], using
precision digits of precision in the arithmetic. So an example would
be
./test 1 2 5 5 0.0004 64 40
which corresponds to constructing a rational approximation to the
square root function, with degree (5,5) over the range [0.0004,64]
with 40 digits of precision used for the arithmetic. The parameters y
and z must be positive, the approximation to f(x) = x^(-y/z) is simply
the inverse of the approximation to f(x) = x^(y/z). After the
approximation has been constructed, the roots and poles of the
rational function are found, and then the partial fraction expansion
of both the rational function and it's inverse are found, the results
of which are output to a file called "approx.dat". In addition, the
error function of the approximation is output to "error.dat", where it
can be checked that the resultant approximation satisfies Chebychev's
criterion, namely all error maxima are equal in magnitude, and
adjacent maxima are oppostie in sign. There are some caveats here
however, the optimal polynomial approximation has complex roots, and
the root finding implemented here cannot (yet) handle complex roots.
In addition, the partial fraction expansion of rational approximations
is only found for the case n = d, i.e., the degree of numerator
polynomial equals that of the denominator polynomial. The convention
for the partial fraction expansion is that polar shifts are always
written added to x, not subtracted.
To do list
1. Include an exponential dampening factor in the function to be
approximated. This may sound trivial to implement, but for some
parameters, the algorithm seems to breakdown. Also, the roots in the
rational approximation sometimes become complex, which currently
breaks the stupidly simple root finding code.
2. Make the algorithm faster - it's too slow when running on qcdoc.
3. Add complex root finding.
4. Add more options for error minimisation - currently the code
minimises the relative error, should add options for absolute error,
and other norms.
There will be a forthcoming publication concerning the results
generated by this software, but in the meantime, if you use this
software, please cite it as
"M.A. Clark and A.D. Kennedy, https://github.com/mikeaclark/AlgRemez, 2005".
If you have any problems using the software, then please email scientist.mike@gmail.com.
-759
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@@ -1,759 +0,0 @@
/*
Mike Clark - 25th May 2005
alg_remez.C
AlgRemez is an implementation of the Remez algorithm, which in this
case is used for generating the optimal nth root rational
approximation.
Note this class requires the gnu multiprecision (GNU MP) library.
*/
#include<math.h>
#include<stdio.h>
#include<stdlib.h>
#include<string>
#include<iostream>
#include<iomanip>
#include<cassert>
#include<Grid/algorithms/approx/Remez.h>
// Constructor
AlgRemez::AlgRemez(double lower, double upper, long precision)
{
prec = precision;
bigfloat::setDefaultPrecision(prec);
apstrt = lower;
apend = upper;
apwidt = apend - apstrt;
std::cout<<"Approximation bounds are ["<<apstrt<<","<<apend<<"]\n";
std::cout<<"Precision of arithmetic is "<<precision<<std::endl;
alloc = 0;
n = 0;
d = 0;
foundRoots = 0;
// Only require the approximation spread to be less than 1 ulp
tolerance = 1e-15;
}
// Destructor
AlgRemez::~AlgRemez()
{
if (alloc) {
delete [] param;
delete [] roots;
delete [] poles;
delete [] xx;
delete [] mm;
delete [] a_power;
delete [] a;
}
}
// Free memory and reallocate as necessary
void AlgRemez::allocate(int num_degree, int den_degree)
{
// Arrays have previously been allocated, deallocate first, then allocate
if (alloc) {
delete [] param;
delete [] roots;
delete [] poles;
delete [] xx;
delete [] mm;
}
// Note use of new and delete in memory allocation - cannot run on qcdsp
param = new bigfloat[num_degree+den_degree+1];
roots = new bigfloat[num_degree];
poles = new bigfloat[den_degree];
xx = new bigfloat[num_degree+den_degree+3];
mm = new bigfloat[num_degree+den_degree+2];
if (!alloc) {
// The coefficients of the sum in the exponential
a = new bigfloat[SUM_MAX];
a_power = new int[SUM_MAX];
}
alloc = 1;
}
// Reset the bounds of the approximation
void AlgRemez::setBounds(double lower, double upper)
{
apstrt = lower;
apend = upper;
apwidt = apend - apstrt;
}
// Generate the rational approximation x^(pnum/pden)
double AlgRemez::generateApprox(int degree, unsigned long pnum,
unsigned long pden)
{
return generateApprox(degree, degree, pnum, pden);
}
double AlgRemez::generateApprox(int num_degree, int den_degree,
unsigned long pnum, unsigned long pden)
{
double *a_param = 0;
int *a_pow = 0;
return generateApprox(num_degree, den_degree, pnum, pden, 0, a_param, a_pow);
}
// Generate the rational approximation x^(pnum/pden)
double AlgRemez::generateApprox(int num_degree, int den_degree,
unsigned long pnum, unsigned long pden,
int a_len, double *a_param, int *a_pow)
{
std::cout<<"Degree of the approximation is ("<<num_degree<<","<<den_degree<<")\n";
std::cout<<"Approximating the function x^("<<pnum<<"/"<<pden<<")\n";
// Reallocate arrays, since degree has changed
if (num_degree != n || den_degree != d) allocate(num_degree,den_degree);
GRID_ASSERT(a_len<=SUM_MAX);
step = new bigfloat[num_degree+den_degree+2];
a_length = a_len;
for (int j=0; j<a_len; j++) {
a[j]= a_param[j];
a_power[j] = a_pow[j];
}
power_num = pnum;
power_den = pden;
spread = 1.0e37;
iter = 0;
n = num_degree;
d = den_degree;
neq = n + d + 1;
initialGuess();
stpini(step);
while (spread > tolerance) { //iterate until convergance
if (iter++%100==0)
std::cout<<"Iteration " <<iter-1<<" spread "<<(double)spread<<" delta "<<(double)delta<<std::endl;
equations();
if (delta < tolerance) {
std::cout<<"Delta too small, try increasing precision\n";
GRID_ASSERT(0);
};
GRID_ASSERT( delta>= tolerance);
search(step);
}
int sign;
double error = (double)getErr(mm[0],&sign);
std::cout<<"Converged at "<<iter<<" iterations; error = "<<error<<std::endl;
// Once the approximation has been generated, calculate the roots
if(!root()) {
std::cout<<"Root finding failed\n";
} else {
foundRoots = 1;
}
delete [] step;
// Return the maximum error in the approximation
return error;
}
// Return the partial fraction expansion of the approximation x^(pnum/pden)
int AlgRemez::getPFE(double *Res, double *Pole, double *Norm) {
if (n!=d) {
std::cout<<"Cannot handle case: Numerator degree neq Denominator degree\n";
return 0;
}
if (!alloc) {
std::cout<<"Approximation not yet generated\n";
return 0;
}
if (!foundRoots) {
std::cout<<"Roots not found, so PFE cannot be taken\n";
return 0;
}
bigfloat *r = new bigfloat[n];
bigfloat *p = new bigfloat[d];
for (int i=0; i<n; i++) r[i] = roots[i];
for (int i=0; i<d; i++) p[i] = poles[i];
// Perform a partial fraction expansion
pfe(r, p, norm);
// Convert to double and return
*Norm = (double)norm;
for (int i=0; i<n; i++) Res[i] = (double)r[i];
for (int i=0; i<d; i++) Pole[i] = (double)p[i];
delete [] r;
delete [] p;
// Where the smallest shift is located
return 0;
}
// Return the partial fraction expansion of the approximation x^(-pnum/pden)
int AlgRemez::getIPFE(double *Res, double *Pole, double *Norm) {
if (n!=d) {
std::cout<<"Cannot handle case: Numerator degree neq Denominator degree\n";
return 0;
}
if (!alloc) {
std::cout<<"Approximation not yet generated\n";
return 0;
}
if (!foundRoots) {
std::cout<<"Roots not found, so PFE cannot be taken\n";
return 0;
}
bigfloat *r = new bigfloat[d];
bigfloat *p = new bigfloat[n];
// Want the inverse function
for (int i=0; i<n; i++) {
r[i] = poles[i];
p[i] = roots[i];
}
// Perform a partial fraction expansion
pfe(r, p, (bigfloat)1l/norm);
// Convert to double and return
*Norm = (double)((bigfloat)1l/(norm));
for (int i=0; i<n; i++) {
Res[i] = (double)r[i];
Pole[i] = (double)p[i];
}
delete [] r;
delete [] p;
// Where the smallest shift is located
return 0;
}
// Initial values of maximal and minimal errors
void AlgRemez::initialGuess() {
// Supply initial guesses for solution points
long ncheb = neq; // Degree of Chebyshev error estimate
bigfloat a, r;
// Find ncheb+1 extrema of Chebyshev polynomial
a = ncheb;
mm[0] = apstrt;
for (long i = 1; i < ncheb; i++) {
r = 0.5 * (1 - cos((M_PI * i)/(double) a));
//r *= sqrt_bf(r);
r = (exp((double)r)-1.0)/(exp(1.0)-1.0);
mm[i] = apstrt + r * apwidt;
}
mm[ncheb] = apend;
a = 2.0 * ncheb;
for (long i = 0; i <= ncheb; i++) {
r = 0.5 * (1 - cos(M_PI * (2*i+1)/(double) a));
//r *= sqrt_bf(r); // Squeeze to low end of interval
r = (exp((double)r)-1.0)/(exp(1.0)-1.0);
xx[i] = apstrt + r * apwidt;
}
}
// Initialise step sizes
void AlgRemez::stpini(bigfloat *step) {
xx[neq+1] = apend;
delta = 0.25;
step[0] = xx[0] - apstrt;
for (int i = 1; i < neq; i++) step[i] = xx[i] - xx[i-1];
step[neq] = step[neq-1];
}
// Search for error maxima and minima
void AlgRemez::search(bigfloat *step) {
bigfloat a, q, xm, ym, xn, yn, xx0, xx1;
int i, meq, emsign, ensign, steps;
meq = neq + 1;
bigfloat *yy = new bigfloat[meq];
bigfloat eclose = 1.0e30;
bigfloat farther = 0l;
xx0 = apstrt;
for (i = 0; i < meq; i++) {
steps = 0;
xx1 = xx[i]; // Next zero
if (i == meq-1) xx1 = apend;
xm = mm[i];
ym = getErr(xm,&emsign);
q = step[i];
xn = xm + q;
if (xn < xx0 || xn >= xx1) { // Cannot skip over adjacent boundaries
q = -q;
xn = xm;
yn = ym;
ensign = emsign;
} else {
yn = getErr(xn,&ensign);
if (yn < ym) {
q = -q;
xn = xm;
yn = ym;
ensign = emsign;
}
}
while(yn >= ym) { // March until error becomes smaller.
if (++steps > 10) break;
ym = yn;
xm = xn;
emsign = ensign;
a = xm + q;
if (a == xm || a <= xx0 || a >= xx1) break;// Must not skip over the zeros either side.
xn = a;
yn = getErr(xn,&ensign);
}
mm[i] = xm; // Position of maximum
yy[i] = ym; // Value of maximum
if (eclose > ym) eclose = ym;
if (farther < ym) farther = ym;
xx0 = xx1; // Walk to next zero.
} // end of search loop
q = (farther - eclose); // Decrease step size if error spread increased
if (eclose != 0.0) q /= eclose; // Relative error spread
if (q >= spread) delta *= 0.5; // Spread is increasing; decrease step size
spread = q;
for (i = 0; i < neq; i++) {
q = yy[i+1];
if (q != 0.0) q = yy[i] / q - (bigfloat)1l;
else q = 0.0625;
if (q > (bigfloat)0.25) q = 0.25;
q *= mm[i+1] - mm[i];
step[i] = q * delta;
}
step[neq] = step[neq-1];
for (i = 0; i < neq; i++) { // Insert new locations for the zeros.
xm = xx[i] - step[i];
if (xm <= apstrt) continue;
if (xm >= apend) continue;
if (xm <= mm[i]) xm = (bigfloat)0.5 * (mm[i] + xx[i]);
if (xm >= mm[i+1]) xm = (bigfloat)0.5 * (mm[i+1] + xx[i]);
xx[i] = xm;
}
delete [] yy;
}
// Solve the equations
void AlgRemez::equations(void) {
bigfloat x, y, z;
int i, j, ip;
bigfloat *aa;
bigfloat *AA = new bigfloat[(neq)*(neq)];
bigfloat *BB = new bigfloat[neq];
for (i = 0; i < neq; i++) { // set up the equations for solution by simq()
ip = neq * i; // offset to 1st element of this row of matrix
x = xx[i]; // the guess for this row
y = func(x); // right-hand-side vector
z = (bigfloat)1l;
aa = AA+ip;
for (j = 0; j <= n; j++) {
*aa++ = z;
z *= x;
}
z = (bigfloat)1l;
for (j = 0; j < d; j++) {
*aa++ = -y * z;
z *= x;
}
BB[i] = y * z; // Right hand side vector
}
// Solve the simultaneous linear equations.
if (simq(AA, BB, param, neq)) {
std::cout<<"simq failed\n";
exit(0);
}
delete [] AA;
delete [] BB;
}
// Evaluate the rational form P(x)/Q(x) using coefficients
// from the solution vector param
bigfloat AlgRemez::approx(const bigfloat x) {
bigfloat yn, yd;
int i;
// Work backwards toward the constant term.
yn = param[n]; // Highest order numerator coefficient
for (i = n-1; i >= 0; i--) yn = x * yn + param[i];
yd = x + param[n+d]; // Highest degree coefficient = 1.0
for (i = n+d-1; i > n; i--) yd = x * yd + param[i];
return(yn/yd);
}
// Compute size and sign of the approximation error at x
bigfloat AlgRemez::getErr(bigfloat x, int *sign) {
bigfloat e, f;
f = func(x);
e = approx(x) - f;
if (f != 0) e /= f;
if (e < (bigfloat)0.0) {
*sign = -1;
e = -e;
}
else *sign = 1;
return(e);
}
// Calculate function required for the approximation.
bigfloat AlgRemez::func(const bigfloat x) {
bigfloat z = (bigfloat)power_num / (bigfloat)power_den;
bigfloat y;
if (x == (bigfloat)1.0) y = (bigfloat)1.0;
else y = pow_bf(x,z);
if (a_length > 0) {
bigfloat sum = 0l;
for (int j=0; j<a_length; j++) sum += a[j]*pow_bf(x,a_power[j]);
return y * exp_bf(sum);
} else {
return y;
}
}
// Solve the system AX=B
int AlgRemez::simq(bigfloat A[], bigfloat B[], bigfloat X[], int n) {
int i, j, ij, ip, ipj, ipk, ipn;
int idxpiv, iback;
int k, kp, kp1, kpk, kpn;
int nip, nkp, nm1;
bigfloat em, q, rownrm, big, size, pivot, sum;
bigfloat *aa;
// simq() work vector
int *IPS = new int[(neq) * sizeof(int)];
nm1 = n - 1;
// Initialize IPS and X
ij = 0;
for (i = 0; i < n; i++) {
IPS[i] = i;
rownrm = 0.0;
for(j = 0; j < n; j++) {
q = abs_bf(A[ij]);
if(rownrm < q) rownrm = q;
++ij;
}
if (rownrm == (bigfloat)0l) {
std::cout<<"simq rownrm=0\n";
delete [] IPS;
return(1);
}
X[i] = (bigfloat)1.0 / rownrm;
}
for (k = 0; k < nm1; k++) {
big = 0.0;
idxpiv = 0;
for (i = k; i < n; i++) {
ip = IPS[i];
ipk = n*ip + k;
size = abs_bf(A[ipk]) * X[ip];
if (size > big) {
big = size;
idxpiv = i;
}
}
if (big == (bigfloat)0l) {
std::cout<<"simq big=0\n";
delete [] IPS;
return(2);
}
if (idxpiv != k) {
j = IPS[k];
IPS[k] = IPS[idxpiv];
IPS[idxpiv] = j;
}
kp = IPS[k];
kpk = n*kp + k;
pivot = A[kpk];
kp1 = k+1;
for (i = kp1; i < n; i++) {
ip = IPS[i];
ipk = n*ip + k;
em = -A[ipk] / pivot;
A[ipk] = -em;
nip = n*ip;
nkp = n*kp;
aa = A+nkp+kp1;
for (j = kp1; j < n; j++) {
ipj = nip + j;
A[ipj] = A[ipj] + em * *aa++;
}
}
}
kpn = n * IPS[n-1] + n - 1; // last element of IPS[n] th row
if (A[kpn] == (bigfloat)0l) {
std::cout<<"simq A[kpn]=0\n";
delete [] IPS;
return(3);
}
ip = IPS[0];
X[0] = B[ip];
for (i = 1; i < n; i++) {
ip = IPS[i];
ipj = n * ip;
sum = 0.0;
for (j = 0; j < i; j++) {
sum += A[ipj] * X[j];
++ipj;
}
X[i] = B[ip] - sum;
}
ipn = n * IPS[n-1] + n - 1;
X[n-1] = X[n-1] / A[ipn];
for (iback = 1; iback < n; iback++) {
//i goes (n-1),...,1
i = nm1 - iback;
ip = IPS[i];
nip = n*ip;
sum = 0.0;
aa = A+nip+i+1;
for (j= i + 1; j < n; j++)
sum += *aa++ * X[j];
X[i] = (X[i] - sum) / A[nip+i];
}
delete [] IPS;
return(0);
}
// Calculate the roots of the approximation
int AlgRemez::root() {
long i,j;
bigfloat x,dx=0.05;
bigfloat upper=1, lower=-100000;
bigfloat tol = 1e-20;
bigfloat *poly = new bigfloat[neq+1];
// First find the numerator roots
for (i=0; i<=n; i++) poly[i] = param[i];
for (i=n-1; i>=0; i--) {
roots[i] = rtnewt(poly,i+1,lower,upper,tol);
if (roots[i] == 0.0) {
std::cout<<"Failure to converge on root "<<i+1<<"/"<<n<<"\n";
return 0;
}
poly[0] = -poly[0]/roots[i];
for (j=1; j<=i; j++) poly[j] = (poly[j-1] - poly[j])/roots[i];
}
// Now find the denominator roots
poly[d] = 1l;
for (i=0; i<d; i++) poly[i] = param[n+1+i];
for (i=d-1; i>=0; i--) {
poles[i]=rtnewt(poly,i+1,lower,upper,tol);
if (poles[i] == 0.0) {
std::cout<<"Failure to converge on pole "<<i+1<<"/"<<d<<"\n";
return 0;
}
poly[0] = -poly[0]/poles[i];
for (j=1; j<=i; j++) poly[j] = (poly[j-1] - poly[j])/poles[i];
}
norm = param[n];
delete [] poly;
return 1;
}
// Evaluate the polynomial
bigfloat AlgRemez::polyEval(bigfloat x, bigfloat *poly, long size) {
bigfloat f = poly[size];
for (int i=size-1; i>=0; i--) f = f*x + poly[i];
return f;
}
// Evaluate the differential of the polynomial
bigfloat AlgRemez::polyDiff(bigfloat x, bigfloat *poly, long size) {
bigfloat df = (bigfloat)size*poly[size];
for (int i=size-1; i>0; i--) df = df*x + (bigfloat)i*poly[i];
return df;
}
// Newton's method to calculate roots
bigfloat AlgRemez::rtnewt(bigfloat *poly, long i, bigfloat x1,
bigfloat x2, bigfloat xacc) {
int j;
bigfloat df, dx, f, rtn;
rtn=(bigfloat)0.5*(x1+x2);
for (j=1; j<=JMAX;j++) {
f = polyEval(rtn, poly, i);
df = polyDiff(rtn, poly, i);
dx = f/df;
rtn -= dx;
if (abs_bf(dx) < xacc) return rtn;
}
std::cout<<"Maximum number of iterations exceeded in rtnewt\n";
return 0.0;
}
// Evaluate the partial fraction expansion of the rational function
// with res roots and poles poles. Result is overwritten on input
// arrays.
void AlgRemez::pfe(bigfloat *res, bigfloat *poles, bigfloat norm) {
int i,j,small;
bigfloat temp;
bigfloat *numerator = new bigfloat[n];
bigfloat *denominator = new bigfloat[d];
// Construct the polynomials explicitly
for (i=1; i<n; i++) {
numerator[i] = 0l;
denominator[i] = 0l;
}
numerator[0]=1l;
denominator[0]=1l;
for (j=0; j<n; j++) {
for (i=n-1; i>=0; i--) {
numerator[i] *= -res[j];
denominator[i] *= -poles[j];
if (i>0) {
numerator[i] += numerator[i-1];
denominator[i] += denominator[i-1];
}
}
}
// Convert to proper fraction form.
// Fraction is now in the form 1 + n/d, where O(n)+1=O(d)
for (i=0; i<n; i++) numerator[i] -= denominator[i];
// Find the residues of the partial fraction expansion and absorb the
// coefficients.
for (i=0; i<n; i++) {
res[i] = 0l;
for (j=n-1; j>=0; j--) {
res[i] = poles[i]*res[i]+numerator[j];
}
for (j=n-1; j>=0; j--) {
if (i!=j) res[i] /= poles[i]-poles[j];
}
res[i] *= norm;
}
// res now holds the residues
j = 0;
for (i=0; i<n; i++) poles[i] = -poles[i];
// Move the ordering of the poles from smallest to largest
for (j=0; j<n; j++) {
small = j;
for (i=j+1; i<n; i++) {
if (poles[i] < poles[small]) small = i;
}
if (small != j) {
temp = poles[small];
poles[small] = poles[j];
poles[j] = temp;
temp = res[small];
res[small] = res[j];
res[j] = temp;
}
}
delete [] numerator;
delete [] denominator;
}
double AlgRemez::evaluateApprox(double x) {
return (double)approx((bigfloat)x);
}
double AlgRemez::evaluateInverseApprox(double x) {
return 1.0/(double)approx((bigfloat)x);
}
double AlgRemez::evaluateFunc(double x) {
return (double)func((bigfloat)x);
}
double AlgRemez::evaluateInverseFunc(double x) {
return 1.0/(double)func((bigfloat)x);
}
void AlgRemez::csv(std::ostream & os)
{
double lambda_low = apstrt;
double lambda_high= apend;
for (double x=lambda_low; x<lambda_high; x*=1.05) {
double f = evaluateFunc(x);
double r = evaluateApprox(x);
os<< x<<","<<r<<","<<f<<","<<r-f<<std::endl;
}
return;
}
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/*
Mike Clark - 25th May 2005
alg_remez.h
AlgRemez is an implementation of the Remez algorithm, which in this
case is used for generating the optimal nth root rational
approximation.
Note this class requires the gnu multiprecision (GNU MP) library.
*/
#ifndef INCLUDED_ALG_REMEZ_H
#define INCLUDED_ALG_REMEZ_H
#include <stddef.h>
#include <Grid/GridStd.h>
#ifdef HAVE_LIBGMP
#include "bigfloat.h"
#else
#include "bigfloat_double.h"
#endif
#define JMAX 10000 //Maximum number of iterations of Newton's approximation
#define SUM_MAX 10 // Maximum number of terms in exponential
/*
*Usage examples
AlgRemez remez(lambda_low,lambda_high,precision);
error = remez.generateApprox(n,d,y,z);
remez.getPFE(res,pole,&norm);
remez.getIPFE(res,pole,&norm);
remez.csv(ostream &os);
*/
class AlgRemez
{
private:
char *cname;
// The approximation parameters
bigfloat *param, *roots, *poles;
bigfloat norm;
// The numerator and denominator degree (n=d)
int n, d;
// The bounds of the approximation
bigfloat apstrt, apwidt, apend;
// the numerator and denominator of the power we are approximating
unsigned long power_num;
unsigned long power_den;
// Flag to determine whether the arrays have been allocated
int alloc;
// Flag to determine whether the roots have been found
int foundRoots;
// Variables used to calculate the approximation
int nd1, iter;
bigfloat *xx, *mm, *step;
bigfloat delta, spread, tolerance;
// The exponential summation coefficients
bigfloat *a;
int *a_power;
int a_length;
// The number of equations we must solve at each iteration (n+d+1)
int neq;
// The precision of the GNU MP library
long prec;
// Initial values of maximal and minmal errors
void initialGuess();
// Solve the equations
void equations();
// Search for error maxima and minima
void search(bigfloat *step);
// Initialise step sizes
void stpini(bigfloat *step);
// Calculate the roots of the approximation
int root();
// Evaluate the polynomial
bigfloat polyEval(bigfloat x, bigfloat *poly, long size);
//complex_bf polyEval(complex_bf x, complex_bf *poly, long size);
// Evaluate the differential of the polynomial
bigfloat polyDiff(bigfloat x, bigfloat *poly, long size);
//complex_bf polyDiff(complex_bf x, complex_bf *poly, long size);
// Newton's method to calculate roots
bigfloat rtnewt(bigfloat *poly, long i, bigfloat x1, bigfloat x2, bigfloat xacc);
//complex_bf rtnewt(complex_bf *poly, long i, bigfloat x1, bigfloat x2, bigfloat xacc);
// Evaluate the partial fraction expansion of the rational function
// with res roots and poles poles. Result is overwritten on input
// arrays.
void pfe(bigfloat *res, bigfloat* poles, bigfloat norm);
// Calculate function required for the approximation
bigfloat func(bigfloat x);
// Compute size and sign of the approximation error at x
bigfloat getErr(bigfloat x, int *sign);
// Solve the system AX=B
int simq(bigfloat *A, bigfloat *B, bigfloat *X, int n);
// Free memory and reallocate as necessary
void allocate(int num_degree, int den_degree);
// Evaluate the rational form P(x)/Q(x) using coefficients from the
// solution vector param
bigfloat approx(bigfloat x);
public:
// Constructor
AlgRemez(double lower, double upper, long prec);
// Destructor
virtual ~AlgRemez();
int getDegree(void){
GRID_ASSERT(n==d);
return n;
}
// Reset the bounds of the approximation
void setBounds(double lower, double upper);
// Reset the bounds of the approximation
void getBounds(double &lower, double &upper) {
lower=(double)apstrt;
upper=(double)apend;
}
// Generate the rational approximation x^(pnum/pden)
double generateApprox(int num_degree, int den_degree,
unsigned long power_num, unsigned long power_den,
int a_len, double* a_param, int* a_pow);
double generateApprox(int num_degree, int den_degree,
unsigned long power_num, unsigned long power_den);
double generateApprox(int degree, unsigned long power_num,
unsigned long power_den);
// Return the partial fraction expansion of the approximation x^(pnum/pden)
int getPFE(double *res, double *pole, double *norm);
// Return the partial fraction expansion of the approximation x^(-pnum/pden)
int getIPFE(double *res, double *pole, double *norm);
// Evaluate the rational form P(x)/Q(x) using coefficients from the
// solution vector param
double evaluateApprox(double x);
// Evaluate the rational form Q(x)/P(x) using coefficients from the
// solution vector param
double evaluateInverseApprox(double x);
// Calculate function required for the approximation
double evaluateFunc(double x);
// Calculate inverse function required for the approximation
double evaluateInverseFunc(double x);
// Dump csv of function, approx and error
void csv(std::ostream &os);
};
#endif // Include guard
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@@ -1,473 +0,0 @@
#include<math.h>
#include<stdio.h>
#include<stdlib.h>
#include<string>
#include<iostream>
#include<iomanip>
#include<cassert>
#include<Grid/algorithms/approx/RemezGeneral.h>
// Constructor
AlgRemezGeneral::AlgRemezGeneral(double lower, double upper, long precision,
bigfloat (*f)(bigfloat x, void *data), void *data): f(f),
data(data),
prec(precision),
apstrt(lower), apend(upper), apwidt(upper - lower),
n(0), d(0), pow_n(0), pow_d(0)
{
bigfloat::setDefaultPrecision(prec);
std::cout<<"Approximation bounds are ["<<apstrt<<","<<apend<<"]\n";
std::cout<<"Precision of arithmetic is "<<precision<<std::endl;
}
//Determine the properties of the numerator and denominator polynomials
void AlgRemezGeneral::setupPolyProperties(int num_degree, int den_degree, PolyType num_type_in, PolyType den_type_in){
pow_n = num_degree;
pow_d = den_degree;
if(pow_n % 2 == 0 && num_type_in == PolyType::Odd) GRID_ASSERT(0);
if(pow_n % 2 == 1 && num_type_in == PolyType::Even) GRID_ASSERT(0);
if(pow_d % 2 == 0 && den_type_in == PolyType::Odd) GRID_ASSERT(0);
if(pow_d % 2 == 1 && den_type_in == PolyType::Even) GRID_ASSERT(0);
num_type = num_type_in;
den_type = den_type_in;
num_pows.resize(pow_n+1);
den_pows.resize(pow_d+1);
int n_in = 0;
bool odd = num_type == PolyType::Full || num_type == PolyType::Odd;
bool even = num_type == PolyType::Full || num_type == PolyType::Even;
for(int i=0;i<=pow_n;i++){
num_pows[i] = -1;
if(i % 2 == 0 && even) num_pows[i] = n_in++;
if(i % 2 == 1 && odd) num_pows[i] = n_in++;
}
std::cout << n_in << " terms in numerator" << std::endl;
--n_in; //power is 1 less than the number of terms, eg pow=1 a x^1 + b x^0
int d_in = 0;
odd = den_type == PolyType::Full || den_type == PolyType::Odd;
even = den_type == PolyType::Full || den_type == PolyType::Even;
for(int i=0;i<=pow_d;i++){
den_pows[i] = -1;
if(i % 2 == 0 && even) den_pows[i] = d_in++;
if(i % 2 == 1 && odd) den_pows[i] = d_in++;
}
std::cout << d_in << " terms in denominator" << std::endl;
--d_in;
n = n_in;
d = d_in;
}
//Setup algorithm
void AlgRemezGeneral::reinitializeAlgorithm(){
spread = 1.0e37;
iter = 0;
neq = n + d + 1; //not +2 because highest-power term in denominator is fixed to 1
param.resize(neq);
yy.resize(neq+1);
//Initialize linear equation temporaries
A.resize(neq*neq);
B.resize(neq);
IPS.resize(neq);
//Initialize maximum and minimum errors
xx.resize(neq+2);
mm.resize(neq+1);
initialGuess();
//Initialize search steps
step.resize(neq+1);
stpini();
}
double AlgRemezGeneral::generateApprox(const int num_degree, const int den_degree,
const PolyType num_type_in, const PolyType den_type_in,
const double _tolerance, const int report_freq){
//Setup the properties of the polynomial
setupPolyProperties(num_degree, den_degree, num_type_in, den_type_in);
//Setup the algorithm
reinitializeAlgorithm();
bigfloat tolerance = _tolerance;
//Iterate until convergance
while (spread > tolerance) {
if (iter++ % report_freq==0)
std::cout<<"Iteration " <<iter-1<<" spread "<<(double)spread<<" delta "<<(double)delta << std::endl;
equations();
if (delta < tolerance) {
std::cout<<"Iteration " << iter-1 << " delta too small (" << delta << "<" << tolerance << "), try increasing precision\n";
GRID_ASSERT(0);
};
GRID_ASSERT( delta>= tolerance );
search();
}
int sign;
double error = (double)getErr(mm[0],&sign);
std::cout<<"Converged at "<<iter<<" iterations; error = "<<error<<std::endl;
// Return the maximum error in the approximation
return error;
}
// Initial values of maximal and minimal errors
void AlgRemezGeneral::initialGuess(){
// Supply initial guesses for solution points
long ncheb = neq; // Degree of Chebyshev error estimate
// Find ncheb+1 extrema of Chebyshev polynomial
bigfloat a = ncheb;
bigfloat r;
mm[0] = apstrt;
for (long i = 1; i < ncheb; i++) {
r = 0.5 * (1 - cos((M_PI * i)/(double) a));
//r *= sqrt_bf(r);
r = (exp((double)r)-1.0)/(exp(1.0)-1.0);
mm[i] = apstrt + r * apwidt;
}
mm[ncheb] = apend;
a = 2.0 * ncheb;
for (long i = 0; i <= ncheb; i++) {
r = 0.5 * (1 - cos(M_PI * (2*i+1)/(double) a));
//r *= sqrt_bf(r); // Squeeze to low end of interval
r = (exp((double)r)-1.0)/(exp(1.0)-1.0);
xx[i] = apstrt + r * apwidt;
}
}
// Initialise step sizes
void AlgRemezGeneral::stpini(){
xx[neq+1] = apend;
delta = 0.25;
step[0] = xx[0] - apstrt;
for (int i = 1; i < neq; i++) step[i] = xx[i] - xx[i-1];
step[neq] = step[neq-1];
}
// Search for error maxima and minima
void AlgRemezGeneral::search(){
bigfloat a, q, xm, ym, xn, yn, xx1;
int emsign, ensign, steps;
int meq = neq + 1;
bigfloat eclose = 1.0e30;
bigfloat farther = 0l;
bigfloat xx0 = apstrt;
for (int i = 0; i < meq; i++) {
steps = 0;
xx1 = xx[i]; // Next zero
if (i == meq-1) xx1 = apend;
xm = mm[i];
ym = getErr(xm,&emsign);
q = step[i];
xn = xm + q;
if (xn < xx0 || xn >= xx1) { // Cannot skip over adjacent boundaries
q = -q;
xn = xm;
yn = ym;
ensign = emsign;
} else {
yn = getErr(xn,&ensign);
if (yn < ym) {
q = -q;
xn = xm;
yn = ym;
ensign = emsign;
}
}
while(yn >= ym) { // March until error becomes smaller.
if (++steps > 10)
break;
ym = yn;
xm = xn;
emsign = ensign;
a = xm + q;
if (a == xm || a <= xx0 || a >= xx1)
break;// Must not skip over the zeros either side.
xn = a;
yn = getErr(xn,&ensign);
}
mm[i] = xm; // Position of maximum
yy[i] = ym; // Value of maximum
if (eclose > ym) eclose = ym;
if (farther < ym) farther = ym;
xx0 = xx1; // Walk to next zero.
} // end of search loop
q = (farther - eclose); // Decrease step size if error spread increased
if (eclose != 0.0) q /= eclose; // Relative error spread
if (q >= spread)
delta *= 0.5; // Spread is increasing; decrease step size
spread = q;
for (int i = 0; i < neq; i++) {
q = yy[i+1];
if (q != 0.0) q = yy[i] / q - (bigfloat)1l;
else q = 0.0625;
if (q > (bigfloat)0.25) q = 0.25;
q *= mm[i+1] - mm[i];
step[i] = q * delta;
}
step[neq] = step[neq-1];
for (int i = 0; i < neq; i++) { // Insert new locations for the zeros.
xm = xx[i] - step[i];
if (xm <= apstrt)
continue;
if (xm >= apend)
continue;
if (xm <= mm[i])
xm = (bigfloat)0.5 * (mm[i] + xx[i]);
if (xm >= mm[i+1])
xm = (bigfloat)0.5 * (mm[i+1] + xx[i]);
xx[i] = xm;
}
}
// Solve the equations
void AlgRemezGeneral::equations(){
bigfloat x, y, z;
bigfloat *aa;
for (int i = 0; i < neq; i++) { // set up the equations for solution by simq()
int ip = neq * i; // offset to 1st element of this row of matrix
x = xx[i]; // the guess for this row
y = func(x); // right-hand-side vector
z = (bigfloat)1l;
aa = A.data()+ip;
int t = 0;
for (int j = 0; j <= pow_n; j++) {
if(num_pows[j] != -1){ *aa++ = z; t++; }
z *= x;
}
GRID_ASSERT(t == n+1);
z = (bigfloat)1l;
t = 0;
for (int j = 0; j < pow_d; j++) {
if(den_pows[j] != -1){ *aa++ = -y * z; t++; }
z *= x;
}
GRID_ASSERT(t == d);
B[i] = y * z; // Right hand side vector
}
// Solve the simultaneous linear equations.
if (simq()){
std::cout<<"simq failed\n";
exit(0);
}
}
// Evaluate the rational form P(x)/Q(x) using coefficients
// from the solution vector param
bigfloat AlgRemezGeneral::approx(const bigfloat x) const{
// Work backwards toward the constant term.
int c = n;
bigfloat yn = param[c--]; // Highest order numerator coefficient
for (int i = pow_n-1; i >= 0; i--) yn = x * yn + (num_pows[i] != -1 ? param[c--] : bigfloat(0l));
c = n+d;
bigfloat yd = 1l; //Highest degree coefficient is 1.0
for (int i = pow_d-1; i >= 0; i--) yd = x * yd + (den_pows[i] != -1 ? param[c--] : bigfloat(0l));
return(yn/yd);
}
// Compute size and sign of the approximation error at x
bigfloat AlgRemezGeneral::getErr(bigfloat x, int *sign) const{
bigfloat f = func(x);
bigfloat e = approx(x) - f;
if (f != 0) e /= f;
if (e < (bigfloat)0.0) {
*sign = -1;
e = -e;
}
else *sign = 1;
return(e);
}
// Solve the system AX=B
int AlgRemezGeneral::simq(){
int ip, ipj, ipk, ipn;
int idxpiv;
int kp, kp1, kpk, kpn;
int nip, nkp;
bigfloat em, q, rownrm, big, size, pivot, sum;
bigfloat *aa;
bigfloat *X = param.data();
int n = neq;
int nm1 = n - 1;
// Initialize IPS and X
int ij = 0;
for (int i = 0; i < n; i++) {
IPS[i] = i;
rownrm = 0.0;
for(int j = 0; j < n; j++) {
q = abs_bf(A[ij]);
if(rownrm < q) rownrm = q;
++ij;
}
if (rownrm == (bigfloat)0l) {
std::cout<<"simq rownrm=0\n";
return(1);
}
X[i] = (bigfloat)1.0 / rownrm;
}
for (int k = 0; k < nm1; k++) {
big = 0.0;
idxpiv = 0;
for (int i = k; i < n; i++) {
ip = IPS[i];
ipk = n*ip + k;
size = abs_bf(A[ipk]) * X[ip];
if (size > big) {
big = size;
idxpiv = i;
}
}
if (big == (bigfloat)0l) {
std::cout<<"simq big=0\n";
return(2);
}
if (idxpiv != k) {
int j = IPS[k];
IPS[k] = IPS[idxpiv];
IPS[idxpiv] = j;
}
kp = IPS[k];
kpk = n*kp + k;
pivot = A[kpk];
kp1 = k+1;
for (int i = kp1; i < n; i++) {
ip = IPS[i];
ipk = n*ip + k;
em = -A[ipk] / pivot;
A[ipk] = -em;
nip = n*ip;
nkp = n*kp;
aa = A.data()+nkp+kp1;
for (int j = kp1; j < n; j++) {
ipj = nip + j;
A[ipj] = A[ipj] + em * *aa++;
}
}
}
kpn = n * IPS[n-1] + n - 1; // last element of IPS[n] th row
if (A[kpn] == (bigfloat)0l) {
std::cout<<"simq A[kpn]=0\n";
return(3);
}
ip = IPS[0];
X[0] = B[ip];
for (int i = 1; i < n; i++) {
ip = IPS[i];
ipj = n * ip;
sum = 0.0;
for (int j = 0; j < i; j++) {
sum += A[ipj] * X[j];
++ipj;
}
X[i] = B[ip] - sum;
}
ipn = n * IPS[n-1] + n - 1;
X[n-1] = X[n-1] / A[ipn];
for (int iback = 1; iback < n; iback++) {
//i goes (n-1),...,1
int i = nm1 - iback;
ip = IPS[i];
nip = n*ip;
sum = 0.0;
aa = A.data()+nip+i+1;
for (int j= i + 1; j < n; j++)
sum += *aa++ * X[j];
X[i] = (X[i] - sum) / A[nip+i];
}
return(0);
}
void AlgRemezGeneral::csv(std::ostream & os) const{
os << "Numerator" << std::endl;
for(int i=0;i<=pow_n;i++){
os << getCoeffNum(i) << "*x^" << i;
if(i!=pow_n) os << " + ";
}
os << std::endl;
os << "Denominator" << std::endl;
for(int i=0;i<=pow_d;i++){
os << getCoeffDen(i) << "*x^" << i;
if(i!=pow_d) os << " + ";
}
os << std::endl;
//For a true minimax solution the errors should all be equal and the signs should oscillate +-+-+- etc
int sign;
os << "Errors at maxima: coordinate, error, (sign)" << std::endl;
for(int i=0;i<neq+1;i++){
os << mm[i] << " " << getErr(mm[i],&sign) << " (" << sign << ")" << std::endl;
}
os << "Scan over range:" << std::endl;
int npt = 60;
bigfloat dlt = (apend - apstrt)/bigfloat(npt-1);
for (bigfloat x=apstrt; x<=apend; x = x + dlt) {
double f = evaluateFunc(x);
double r = evaluateApprox(x);
os<< x<<","<<r<<","<<f<<","<<r-f<<std::endl;
}
return;
}
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/*
C.Kelly Jan 2020 based on implementation by M. Clark May 2005
AlgRemezGeneral is an implementation of the Remez algorithm for approximating an arbitrary function by a rational polynomial
It includes optional restriction to odd/even polynomials for the numerator and/or denominator
*/
#ifndef INCLUDED_ALG_REMEZ_GENERAL_H
#define INCLUDED_ALG_REMEZ_GENERAL_H
#include <stddef.h>
#include <Grid/GridStd.h>
#ifdef HAVE_LIBGMP
#include "bigfloat.h"
#else
#include "bigfloat_double.h"
#endif
class AlgRemezGeneral{
public:
enum PolyType { Even, Odd, Full };
private:
// In GSL-style, pass the function as a function pointer. Any data required to evaluate the function is passed in as a void pointer
bigfloat (*f)(bigfloat x, void *data);
void *data;
// The approximation parameters
std::vector<bigfloat> param;
bigfloat norm;
// The number of non-zero terms in the numerator and denominator
int n, d;
// The numerator and denominator degree (i.e. the largest power)
int pow_n, pow_d;
// Specify if the numerator and/or denominator are odd/even polynomials
PolyType num_type;
PolyType den_type;
std::vector<int> num_pows; //contains the mapping, with -1 if not present
std::vector<int> den_pows;
// The bounds of the approximation
bigfloat apstrt, apwidt, apend;
// Variables used to calculate the approximation
int nd1, iter;
std::vector<bigfloat> xx;
std::vector<bigfloat> mm;
std::vector<bigfloat> step;
bigfloat delta, spread;
// Variables used in search
std::vector<bigfloat> yy;
// Variables used in solving linear equations
std::vector<bigfloat> A;
std::vector<bigfloat> B;
std::vector<int> IPS;
// The number of equations we must solve at each iteration (n+d+1)
int neq;
// The precision of the GNU MP library
long prec;
// Initialize member variables associated with the polynomial's properties
void setupPolyProperties(int num_degree, int den_degree, PolyType num_type_in, PolyType den_type_in);
// Initial values of maximal and minmal errors
void initialGuess();
// Initialise step sizes
void stpini();
// Initialize the algorithm
void reinitializeAlgorithm();
// Solve the equations
void equations();
// Search for error maxima and minima
void search();
// Calculate function required for the approximation
inline bigfloat func(bigfloat x) const{
return f(x, data);
}
// Compute size and sign of the approximation error at x
bigfloat getErr(bigfloat x, int *sign) const;
// Solve the system AX=B where X = param
int simq();
// Evaluate the rational form P(x)/Q(x) using coefficients from the solution vector param
bigfloat approx(bigfloat x) const;
public:
AlgRemezGeneral(double lower, double upper, long prec,
bigfloat (*f)(bigfloat x, void *data), void *data);
inline int getDegree(void) const{
GRID_ASSERT(n==d);
return n;
}
// Reset the bounds of the approximation
inline void setBounds(double lower, double upper) {
apstrt = lower;
apend = upper;
apwidt = apend - apstrt;
}
// Get the bounds of the approximation
inline void getBounds(double &lower, double &upper) const{
lower=(double)apstrt;
upper=(double)apend;
}
// Run the algorithm to generate the rational approximation
double generateApprox(int num_degree, int den_degree,
PolyType num_type, PolyType den_type,
const double tolerance = 1e-15, const int report_freq = 1000);
inline double generateApprox(int num_degree, int den_degree,
const double tolerance = 1e-15, const int report_freq = 1000){
return generateApprox(num_degree, den_degree, Full, Full, tolerance, report_freq);
}
// Evaluate the rational form P(x)/Q(x) using coefficients from the
// solution vector param
inline double evaluateApprox(double x) const{
return (double)approx((bigfloat)x);
}
// Evaluate the rational form Q(x)/P(x) using coefficients from the solution vector param
inline double evaluateInverseApprox(double x) const{
return 1.0/(double)approx((bigfloat)x);
}
// Calculate function required for the approximation
inline double evaluateFunc(double x) const{
return (double)func((bigfloat)x);
}
// Calculate inverse function required for the approximation
inline double evaluateInverseFunc(double x) const{
return 1.0/(double)func((bigfloat)x);
}
// Dump csv of function, approx and error
void csv(std::ostream &os = std::cout) const;
// Get the coefficient of the term x^i in the numerator
inline double getCoeffNum(const int i) const{
return num_pows[i] == -1 ? 0. : double(param[num_pows[i]]);
}
// Get the coefficient of the term x^i in the denominator
inline double getCoeffDen(const int i) const{
if(i == pow_d) return 1.0;
else return den_pows[i] == -1 ? 0. : double(param[den_pows[i]+n+1]);
}
};
#endif
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/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/approx/ZMobius.cc
Copyright (C) 2015
Author: Christopher Kelly <ckelly@phys.columbia.edu>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#include <Grid/algorithms/approx/ZMobius.h>
#include <Grid/algorithms/approx/RemezGeneral.h>
NAMESPACE_BEGIN(Grid);
NAMESPACE_BEGIN(Approx);
//Compute the tanh approximation
inline double epsilonMobius(const double x, const std::vector<ComplexD> &w){
int Ls = w.size();
ComplexD fxp = 1., fmp = 1.;
for(int i=0;i<Ls;i++){
fxp = fxp * ( w[i] + x );
fmp = fmp * ( w[i] - x );
}
return ((fxp - fmp)/(fxp + fmp)).real();
}
inline double epsilonMobius(const double x, const std::vector<RealD> &w){
int Ls = w.size();
double fxp = 1., fmp = 1.;
for(int i=0;i<Ls;i++){
fxp = fxp * ( w[i] + x );
fmp = fmp * ( w[i] - x );
}
return (fxp - fmp)/(fxp + fmp);
}
//Compute the tanh approximation in a form suitable for the Remez
bigfloat epsilonMobius(bigfloat x, void* data){
const std::vector<RealD> &omega = *( (std::vector<RealD> const*)data );
bigfloat fxp(1.0);
bigfloat fmp(1.0);
for(int i=0;i<omega.size();i++){
fxp = fxp * ( bigfloat(omega[i]) + x);
fmp = fmp * ( bigfloat(omega[i]) - x);
}
return (fxp - fmp)/(fxp + fmp);
}
//Compute the Zmobius Omega parameters suitable for eigenvalue range -lambda_bound <= lambda <= lambda_bound
//Note omega_i = 1/(b_i + c_i) where b_i and c_i are the Mobius parameters
void computeZmobiusOmega(std::vector<ComplexD> &omega_out, const int Ls_out,
const std::vector<RealD> &omega_in, const int Ls_in,
const RealD lambda_bound){
GRID_ASSERT(omega_in.size() == Ls_in);
omega_out.resize(Ls_out);
//Use the Remez algorithm to generate the appropriate rational polynomial
//For odd polynomial, to satisfy Haar condition must take either positive or negative half of range (cf https://arxiv.org/pdf/0803.0439.pdf page 6)
AlgRemezGeneral remez(0, lambda_bound, 64, &epsilonMobius, (void*)&omega_in);
remez.generateApprox(Ls_out-1, Ls_out,AlgRemezGeneral::Odd, AlgRemezGeneral::Even, 1e-15, 100);
remez.csv(std::cout);
//The rational approximation has the form [ f(x) - f(-x) ] / [ f(x) + f(-x) ] where f(x) = \Prod_{i=0}^{L_s-1} ( \omega_i + x )
//cf https://academiccommons.columbia.edu/doi/10.7916/D8T72HD7 pg 102
//omega_i are therefore the negative of the complex roots of f(x)
//We can find the roots by recognizing that the eigenvalues of a matrix A are the roots of the characteristic polynomial
// \rho(\lambda) = det( A - \lambda I ) where I is the unit matrix
//The matrix whose characteristic polynomial is an arbitrary monic polynomial a0 + a1 x + a2 x^2 + ... x^n is the companion matrix
// A = | 0 1 0 0 0 .... 0 |
// | 0 0 1 0 0 .... 0 |
// | : : : : : : |
// | 0 0 0 0 0 1
// | -a0 -a1 -a2 ... ... -an|
//Note the Remez defines the largest power to have unit coefficient
std::vector<RealD> coeffs(Ls_out+1);
for(int i=0;i<Ls_out+1;i+=2) coeffs[i] = coeffs[i] = remez.getCoeffDen(i); //even powers
for(int i=1;i<Ls_out+1;i+=2) coeffs[i] = coeffs[i] = remez.getCoeffNum(i); //odd powers
std::vector<std::complex<RealD> > roots(Ls_out);
//Form the companion matrix
Eigen::MatrixXd compn(Ls_out,Ls_out);
for(int i=0;i<Ls_out-1;i++) compn(i,0) = 0.;
compn(Ls_out - 1, 0) = -coeffs[0];
for(int j=1;j<Ls_out;j++){
for(int i=0;i<Ls_out-1;i++) compn(i,j) = i == j-1 ? 1. : 0.;
compn(Ls_out - 1, j) = -coeffs[j];
}
//Eigensolve
Eigen::EigenSolver<Eigen::MatrixXd> slv(compn, false);
const auto & ev = slv.eigenvalues();
for(int i=0;i<Ls_out;i++)
omega_out[i] = -ev(i);
//Sort ascending (smallest at start of vector!)
std::sort(omega_out.begin(), omega_out.end(),
[&](const ComplexD &a, const ComplexD &b){ return a.real() < b.real() || (a.real() == b.real() && a.imag() < b.imag()); });
//McGlynn thesis pg 122 suggest improved iteration counts if magnitude of omega diminishes towards the center of the 5th dimension
std::vector<ComplexD> omega_tmp = omega_out;
int s_low=0, s_high=Ls_out-1, ss=0;
for(int s_from = Ls_out-1; s_from >= 0; s_from--){ //loop from largest omega
int s_to;
if(ss % 2 == 0){
s_to = s_low++;
}else{
s_to = s_high--;
}
omega_out[s_to] = omega_tmp[s_from];
++ss;
}
std::cout << "Resulting omega_i:" << std::endl;
for(int i=0;i<Ls_out;i++)
std::cout << omega_out[i] << std::endl;
std::cout << "Test result matches the approximate polynomial found by the Remez" << std::endl;
std::cout << "<x> <remez approx> <poly approx> <diff poly approx remez approx> <exact> <diff poly approx exact>\n";
int npt = 60;
double dlt = lambda_bound/double(npt-1);
for (int i =0; i<npt; i++){
double x = i*dlt;
double r = remez.evaluateApprox(x);
double p = epsilonMobius(x, omega_out);
double e = epsilonMobius(x, omega_in);
std::cout << x<< " " << r << " " << p <<" " <<r-p << " " << e << " " << e-p << std::endl;
}
}
//mobius_param = b+c with b-c=1
void computeZmobiusOmega(std::vector<ComplexD> &omega_out, const int Ls_out, const RealD mobius_param, const int Ls_in, const RealD lambda_bound){
std::vector<RealD> omega_in(Ls_in, 1./mobius_param);
computeZmobiusOmega(omega_out, Ls_out, omega_in, Ls_in, lambda_bound);
}
//ZMobius class takes gamma_i = (b+c) omega_i as its input, where b, c are factored out
void computeZmobiusGamma(std::vector<ComplexD> &gamma_out,
const RealD mobius_param_out, const int Ls_out,
const RealD mobius_param_in, const int Ls_in,
const RealD lambda_bound){
computeZmobiusOmega(gamma_out, Ls_out, mobius_param_in, Ls_in, lambda_bound);
for(int i=0;i<Ls_out;i++) gamma_out[i] = gamma_out[i] * mobius_param_out;
}
//Assumes mobius_param_out == mobius_param_in
void computeZmobiusGamma(std::vector<ComplexD> &gamma_out, const int Ls_out, const RealD mobius_param, const int Ls_in, const RealD lambda_bound){
computeZmobiusGamma(gamma_out, mobius_param, Ls_out, mobius_param, Ls_in, lambda_bound);
}
NAMESPACE_END(Approx);
NAMESPACE_END(Grid);
-57
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@@ -1,57 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/approx/ZMobius.h
Copyright (C) 2015
Author: Christopher Kelly <ckelly@phys.columbia.edu>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_ZMOBIUS_APPROX_H
#define GRID_ZMOBIUS_APPROX_H
#include <Grid/GridCore.h>
NAMESPACE_BEGIN(Grid);
NAMESPACE_BEGIN(Approx);
//Compute the Zmobius Omega parameters suitable for eigenvalue range -lambda_bound <= lambda <= lambda_bound
//Note omega_i = 1/(b_i + c_i) where b_i and c_i are the Mobius parameters
void computeZmobiusOmega(std::vector<ComplexD> &omega_out, const int Ls_out,
const std::vector<RealD> &omega_in, const int Ls_in,
const RealD lambda_bound);
//mobius_param = b+c with b-c=1
void computeZmobiusOmega(std::vector<ComplexD> &omega_out, const int Ls_out, const RealD mobius_param, const int Ls_in, const RealD lambda_bound);
//ZMobius class takes gamma_i = (b+c) omega_i as its input, where b, c are factored out
void computeZmobiusGamma(std::vector<ComplexD> &gamma_out,
const RealD mobius_param_out, const int Ls_out,
const RealD mobius_param_in, const int Ls_in,
const RealD lambda_bound);
//Assumes mobius_param_out == mobius_param_in
void computeZmobiusGamma(std::vector<ComplexD> &gamma_out, const int Ls_out, const RealD mobius_param, const int Ls_in, const RealD lambda_bound);
NAMESPACE_END(Approx);
NAMESPACE_END(Grid);
#endif
-730
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@@ -1,730 +0,0 @@
/* -*- Mode: C; comment-column: 22; fill-column: 79; compile-command: "gcc -o zolotarev zolotarev.c -ansi -pedantic -lm -DTEST"; -*- */
#define VERSION Source Time-stamp: <2015-05-18 16:32:08 neo>
/* These C routines evalute the optimal rational approximation to the signum
* function for epsilon < |x| < 1 using Zolotarev's theorem.
*
* To obtain reliable results for high degree approximations (large n) it is
* necessary to compute using sufficiently high precision arithmetic. To this
* end the code has been parameterised to work with the preprocessor names
* INTERNAL_PRECISION and PRECISION set to float, double, or long double as
* appropriate. INTERNAL_PRECISION is used in computing the Zolotarev
* coefficients, which are converted to PRECISION before being returned to the
* caller. Presumably even higher precision could be obtained using GMP or
* similar package, but bear in mind that rounding errors might also be
* significant in evaluating the resulting polynomial. The convergence criteria
* have been written in a precision-independent form. */
#include <math.h>
#include <stdlib.h>
#include <stdio.h>
#define MAX(a,b) ((a) > (b) ? (a) : (b))
#define MIN(a,b) ((a) < (b) ? (a) : (b))
#ifndef INTERNAL_PRECISION
#define INTERNAL_PRECISION double
#endif
#include "Zolotarev.h"
#define ZOLOTAREV_INTERNAL
#undef ZOLOTAREV_DATA
#define ZOLOTAREV_DATA izd
#undef ZPRECISION
#define ZPRECISION INTERNAL_PRECISION
#include "Zolotarev.h"
#undef ZOLOTAREV_INTERNAL
/* The ANSI standard appears not to know what pi is */
#ifndef M_PI
#define M_PI ((INTERNAL_PRECISION) 3.141592653589793238462643383279502884197\
169399375105820974944592307816406286208998628034825342117068)
#endif
#define ZERO ((INTERNAL_PRECISION) 0)
#define ONE ((INTERNAL_PRECISION) 1)
#define TWO ((INTERNAL_PRECISION) 2)
#define THREE ((INTERNAL_PRECISION) 3)
#define FOUR ((INTERNAL_PRECISION) 4)
#define HALF (ONE/TWO)
/* The following obscenity seems to be the simplest (?) way to coerce the C
* preprocessor to convert the value of a preprocessor token into a string. */
#define PP2(x) #x
#define PP1(a,b,c) a ## b(c)
#define STRINGIFY(name) PP1(PP,2,name)
/* Compute the partial fraction expansion coefficients (alpha) from the
* factored form */
NAMESPACE_BEGIN(Grid);
NAMESPACE_BEGIN(Approx);
static void construct_partfrac(izd *z) {
int dn = z -> dn, dd = z -> dd, type = z -> type;
int j, k, da = dd + 1 + type;
INTERNAL_PRECISION A = z -> A, *a = z -> a, *ap = z -> ap, *alpha;
alpha = (INTERNAL_PRECISION*) malloc(da * sizeof(INTERNAL_PRECISION));
for (j = 0; j < dd; j++)
for (k = 0, alpha[j] = A; k < dd; k++)
alpha[j] *=
(k < dn ? ap[j] - a[k] : ONE) / (k == j ? ONE : ap[j] - ap[k]);
if(type == 1) /* implicit pole at zero? */
for (k = 0, alpha[dd] = A * (dn > dd ? - a[dd] : ONE); k < dd; k++) {
alpha[dd] *= a[k] / ap[k];
alpha[k] *= (dn > dd ? ap[k] - a[dd] : ONE) / ap[k];
}
alpha[da-1] = dn == da - 1 ? A : ZERO;
z -> alpha = alpha;
z -> da = da;
return;
}
/* Convert factored polynomial into dense polynomial. The input is the overall
* factor A and the roots a[i], such that p = A product(x - a[i], i = 1..d) */
static INTERNAL_PRECISION *poly_factored_to_dense(INTERNAL_PRECISION A,
INTERNAL_PRECISION *a,
int d) {
INTERNAL_PRECISION *p;
int i, j;
p = (INTERNAL_PRECISION *) malloc((d + 2) * sizeof(INTERNAL_PRECISION));
p[0] = A;
for (i = 0; i < d; i++) {
p[i+1] = p[i];
for (j = i; j > 0; j--) p[j] = p[j-1] - a[i]*p[j];
p[0] *= - a[i];
}
return p;
}
/* Convert a rational function of the form R0(x) = x p(x^2)/q(x^2) (type 0) or
* R1(x) = p(x^2)/[x q(x^2)] (type 1) into its continued fraction
* representation. We assume that 0 <= deg(q) - deg(p) <= 1 for type 0 and 0 <=
* deg(p) - deg(q) <= 1 for type 1. On input p and q are in factored form, and
* deg(q) = dq, deg(p) = dp. The output is the continued fraction coefficients
* beta, where R(x) = beta[0] x + 1/(beta[1] x + 1/(...)).
*
* The method used is as follows. There are four cases to consider:
*
* 0.i. Type 0, deg p = deg q
*
* 0.ii. Type 0, deg p = deg q - 1
*
* 1.i. Type 1, deg p = deg q
*
* 1.ii. Type 1, deg p = deg q + 1
*
* and these are connected by two transformations:
*
* A. To obtain a continued fraction expansion of type 1 we use a single-step
* polynomial division we find beta and r(x) such that p(x) = beta x q(x) +
* r(x), with deg(r) = deg(q). This implies that p(x^2) = beta x^2 q(x^2) +
* r(x^2), and thus R1(x) = x beta + r(x^2)/(x q(x^2)) = x beta + 1/R0(x)
* with R0(x) = x q(x^2)/r(x^2).
*
* B. A continued fraction expansion of type 0 is obtained in a similar, but
* not identical, manner. We use the polynomial division algorithm to compute
* the quotient beta and the remainder r that satisfy p(x) = beta q(x) + r(x)
* with deg(r) = deg(q) - 1. We thus have x p(x^2) = x beta q(x^2) + x r(x^2),
* so R0(x) = x beta + x r(x^2)/q(x^2) = x beta + 1/R1(x) with R1(x) = q(x^2) /
* (x r(x^2)).
*
* Note that the deg(r) must be exactly deg(q) for (A) and deg(q) - 1 for (B)
* because p and q have disjoint roots all of multiplicity 1. This means that
* the division algorithm requires only a single polynomial subtraction step.
*
* The transformations between the cases form the following finite state
* automaton:
*
* +------+ +------+ +------+ +------+
* | | | | ---(A)---> | | | |
* | 0.ii | ---(B)---> | 1.ii | | 0.i | <---(A)--- | 1.i |
* | | | | <---(B)--- | | | |
* +------+ +------+ +------+ +------+
*/
static INTERNAL_PRECISION *contfrac_A(INTERNAL_PRECISION *,
INTERNAL_PRECISION *,
INTERNAL_PRECISION *,
INTERNAL_PRECISION *, int, int);
static INTERNAL_PRECISION *contfrac_B(INTERNAL_PRECISION *,
INTERNAL_PRECISION *,
INTERNAL_PRECISION *,
INTERNAL_PRECISION *, int, int);
static void construct_contfrac(izd *z){
INTERNAL_PRECISION *r, A = z -> A, *p = z -> a, *q = z -> ap;
int dp = z -> dn, dq = z -> dd, type = z -> type;
z -> db = 2 * dq + 1 + type;
z -> beta = (INTERNAL_PRECISION *)
malloc(z -> db * sizeof(INTERNAL_PRECISION));
p = poly_factored_to_dense(A, p, dp);
q = poly_factored_to_dense(ONE, q, dq);
r = (INTERNAL_PRECISION *) malloc((MAX(dp,dq) + 1) *
sizeof(INTERNAL_PRECISION));
if (type == 0) (void) contfrac_B(z -> beta, p, q, r, dp, dq);
else (void) contfrac_A(z -> beta, p, q, r, dp, dq);
free(p); free(q); free(r);
return;
}
static INTERNAL_PRECISION *contfrac_A(INTERNAL_PRECISION *beta,
INTERNAL_PRECISION *p,
INTERNAL_PRECISION *q,
INTERNAL_PRECISION *r, int dp, int dq) {
INTERNAL_PRECISION quot, *rb;
int j;
/* p(x) = x beta q(x) + r(x); dp = dq or dp = dq + 1 */
quot = dp == dq ? ZERO : p[dp] / q[dq];
r[0] = p[0];
for (j = 1; j <= dp; j++) r[j] = p[j] - quot * q[j-1];
#ifdef DEBUG
printf("%s: Continued Fraction form: deg p = %2d, deg q = %2d, beta = %g\n",
__FUNCTION__, dp, dq, (float) quot);
for (j = 0; j <= dq + 1; j++)
printf("\tp[%2d] = %14.6g\tq[%2d] = %14.6g\tr[%2d] = %14.6g\n",
j, (float) (j > dp ? ZERO : p[j]),
j, (float) (j == 0 ? ZERO : q[j-1]),
j, (float) (j == dp ? ZERO : r[j]));
#endif /* DEBUG */
*(rb = contfrac_B(beta, q, r, p, dq, dq)) = quot;
return rb + 1;
}
static INTERNAL_PRECISION *contfrac_B(INTERNAL_PRECISION *beta,
INTERNAL_PRECISION *p,
INTERNAL_PRECISION *q,
INTERNAL_PRECISION *r, int dp, int dq) {
INTERNAL_PRECISION quot, *rb;
int j;
/* p(x) = beta q(x) + r(x); dp = dq or dp = dq - 1 */
quot = dp == dq ? p[dp] / q[dq] : ZERO;
for (j = 0; j < dq; j++) r[j] = p[j] - quot * q[j];
#ifdef DEBUG
printf("%s: Continued Fraction form: deg p = %2d, deg q = %2d, beta = %g\n",
__FUNCTION__, dp, dq, (float) quot);
for (j = 0; j <= dq; j++)
printf("\tp[%2d] = %14.6g\tq[%2d] = %14.6g\tr[%2d] = %14.6g\n",
j, (float) (j > dp ? ZERO : p[j]),
j, (float) q[j],
j, (float) (j == dq ? ZERO : r[j]));
#endif /* DEBUG */
*(rb = dq > 0 ? contfrac_A(beta, q, r, p, dq, dq-1) : beta) = quot;
return rb + 1;
}
/* The global variable U is used to hold the argument u throughout the AGM
* recursion. The global variables F and K are set in the innermost
* instantiation of the recursive function AGM to the values of the elliptic
* integrals F(u,k) and K(k) respectively. They must be made thread local to
* make this code thread-safe in a multithreaded environment. */
static INTERNAL_PRECISION U, F, K; /* THREAD LOCAL */
/* Recursive implementation of Gauss' arithmetico-geometric mean, which is the
* kernel of the method used to compute the Jacobian elliptic functions
* sn(u,k), cn(u,k), and dn(u,k) with parameter k (where 0 < k < 1), as well
* as the elliptic integral F(s,k) satisfying F(sn(u,k)) = u and the complete
* elliptic integral K(k).
*
* The algorithm used is a recursive implementation of the Gauss (Landen)
* transformation.
*
* The function returns the value of sn(u,k'), where k' is the dual parameter,
* and also sets the values of the global variables F and K. The latter is
* used to determine the sign of cn(u,k').
*
* The algorithm is deemed to have converged when b ceases to increase. This
* works whatever INTERNAL_PRECISION is specified. */
static INTERNAL_PRECISION AGM(INTERNAL_PRECISION a,
INTERNAL_PRECISION b,
INTERNAL_PRECISION s) {
static INTERNAL_PRECISION pb = -ONE;
INTERNAL_PRECISION c, d, xi;
if (b <= pb) {
pb = -ONE;
F = asin(s) / a; /* Here, a is the AGM */
K = M_PI / (TWO * a);
return sin(U * a);
}
pb = b;
c = a - b;
d = a + b;
xi = AGM(HALF*d, sqrt(a*b), ONE + c*c == ONE ?
HALF*s*d/a : (a - sqrt(a*a - s*s*c*d))/(c*s));
return 2*a*xi / (d + c*xi*xi);
}
/* Computes sn(u,k), cn(u,k), dn(u,k), F(u,k), and K(k). It is essentially a
* wrapper for the routine AGM. The sign of cn(u,k) is defined to be -1 if
* K(k) < u < 3*K(k) and +1 otherwise, and thus sign is computed by some quite
* unnecessarily obfuscated bit manipulations. */
static void sncndnFK(INTERNAL_PRECISION u, INTERNAL_PRECISION k,
INTERNAL_PRECISION* sn, INTERNAL_PRECISION* cn,
INTERNAL_PRECISION* dn, INTERNAL_PRECISION* elF,
INTERNAL_PRECISION* elK) {
int sgn;
U = u;
*sn = AGM(ONE, sqrt(ONE - k*k), u);
sgn = ((int) (fabs(u) / K)) % 4; /* sgn = 0, 1, 2, 3 */
sgn ^= sgn >> 1; /* (sgn & 1) = 0, 1, 1, 0 */
sgn = 1 - ((sgn & 1) << 1); /* sgn = 1, -1, -1, 1 */
*cn = ((INTERNAL_PRECISION) sgn) * sqrt(ONE - *sn * *sn);
*dn = sqrt(ONE - k*k* *sn * *sn);
*elF = F;
*elK = K;
}
/* Compute the coefficients for the optimal rational approximation R(x) to
* sgn(x) of degree n over the interval epsilon < |x| < 1 using Zolotarev's
* formula.
*
* Set type = 0 for the Zolotarev approximation, which is zero at x = 0, and
* type = 1 for the approximation which is infinite at x = 0. */
zolotarev_data* zolotarev(ZOLO_PRECISION epsilon, int n, int type) {
INTERNAL_PRECISION A, c, cp, kp, ksq, sn, cn, dn, Kp, Kj, z, z0, t, M, F,
l, invlambda, xi, xisq, *tv, s, opl;
int m, czero, ts;
zolotarev_data *zd;
izd *d = (izd*) malloc(sizeof(izd));
d -> type = type;
d -> epsilon = (INTERNAL_PRECISION) epsilon;
d -> n = n;
d -> dd = n / 2;
d -> dn = d -> dd - 1 + n % 2; /* n even: dn = dd - 1, n odd: dn = dd */
d -> deg_denom = 2 * d -> dd;
d -> deg_num = 2 * d -> dn + 1;
d -> a = (INTERNAL_PRECISION*) malloc((1 + d -> dn) *
sizeof(INTERNAL_PRECISION));
d -> ap = (INTERNAL_PRECISION*) malloc(d -> dd *
sizeof(INTERNAL_PRECISION));
ksq = d -> epsilon * d -> epsilon;
kp = sqrt(ONE - ksq);
sncndnFK(ZERO, kp, &sn, &cn, &dn, &F, &Kp); /* compute Kp = K(kp) */
z0 = TWO * Kp / (INTERNAL_PRECISION) n;
M = ONE;
A = ONE / d -> epsilon;
sncndnFK(HALF * z0, kp, &sn, &cn, &dn, &F, &Kj); /* compute xi */
xi = ONE / dn;
xisq = xi * xi;
invlambda = xi;
for (m = 0; m < d -> dd; m++) {
czero = 2 * (m + 1) == n; /* n even and m = dd -1 */
z = z0 * ((INTERNAL_PRECISION) m + ONE);
sncndnFK(z, kp, &sn, &cn, &dn, &F, &Kj);
t = cn / sn;
c = - t*t;
if (!czero) (d -> a)[d -> dn - 1 - m] = ksq / c;
z = z0 * ((INTERNAL_PRECISION) m + HALF);
sncndnFK(z, kp, &sn, &cn, &dn, &F, &Kj);
t = cn / sn;
cp = - t*t;
(d -> ap)[d -> dd - 1 - m] = ksq / cp;
M *= (ONE - c) / (ONE - cp);
A *= (czero ? -ksq : c) * (ONE - cp) / (cp * (ONE - c));
invlambda *= (ONE - c*xisq) / (ONE - cp*xisq);
}
invlambda /= M;
d -> A = TWO / (ONE + invlambda) * A;
d -> Delta = (invlambda - ONE) / (invlambda + ONE);
d -> gamma = (INTERNAL_PRECISION*) malloc((1 + d -> n) *
sizeof(INTERNAL_PRECISION));
l = ONE / invlambda;
opl = ONE + l;
sncndnFK(sqrt( d -> type == 1
? (THREE + l) / (FOUR * opl)
: (ONE + THREE*l) / (opl*opl*opl)
), sqrt(ONE - l*l), &sn, &cn, &dn, &F, &Kj);
s = M * F;
for (m = 0; m < d -> n; m++) {
sncndnFK(s + TWO*Kp*m/n, kp, &sn, &cn, &dn, &F, &Kj);
d -> gamma[m] = d -> epsilon / dn;
}
/* If R(x) is a Zolotarev rational approximation of degree (n,m) with maximum
* error Delta, then (1 - Delta^2) / R(x) is also an optimal Chebyshev
* approximation of degree (m,n) */
if (d -> type == 1) {
d -> A = (ONE - d -> Delta * d -> Delta) / d -> A;
tv = d -> a; d -> a = d -> ap; d -> ap = tv;
ts = d -> dn; d -> dn = d -> dd; d -> dd = ts;
ts = d -> deg_num; d -> deg_num = d -> deg_denom; d -> deg_denom = ts;
}
construct_partfrac(d);
construct_contfrac(d);
/* Converting everything to ZOLO_PRECISION for external use only */
zd = (zolotarev_data*) malloc(sizeof(zolotarev_data));
zd -> A = (ZOLO_PRECISION) d -> A;
zd -> Delta = (ZOLO_PRECISION) d -> Delta;
zd -> epsilon = (ZOLO_PRECISION) d -> epsilon;
zd -> n = d -> n;
zd -> type = d -> type;
zd -> dn = d -> dn;
zd -> dd = d -> dd;
zd -> da = d -> da;
zd -> db = d -> db;
zd -> deg_num = d -> deg_num;
zd -> deg_denom = d -> deg_denom;
zd -> a = (ZOLO_PRECISION*) malloc(zd -> dn * sizeof(ZOLO_PRECISION));
for (m = 0; m < zd -> dn; m++) zd -> a[m] = (ZOLO_PRECISION) d -> a[m];
free(d -> a);
zd -> ap = (ZOLO_PRECISION*) malloc(zd -> dd * sizeof(ZOLO_PRECISION));
for (m = 0; m < zd -> dd; m++) zd -> ap[m] = (ZOLO_PRECISION) d -> ap[m];
free(d -> ap);
zd -> alpha = (ZOLO_PRECISION*) malloc(zd -> da * sizeof(ZOLO_PRECISION));
for (m = 0; m < zd -> da; m++) zd -> alpha[m] = (ZOLO_PRECISION) d -> alpha[m];
free(d -> alpha);
zd -> beta = (ZOLO_PRECISION*) malloc(zd -> db * sizeof(ZOLO_PRECISION));
for (m = 0; m < zd -> db; m++) zd -> beta[m] = (ZOLO_PRECISION) d -> beta[m];
free(d -> beta);
zd -> gamma = (ZOLO_PRECISION*) malloc(zd -> n * sizeof(ZOLO_PRECISION));
for (m = 0; m < zd -> n; m++) zd -> gamma[m] = (ZOLO_PRECISION) d -> gamma[m];
free(d -> gamma);
free(d);
return zd;
}
void zolotarev_free(zolotarev_data *zdata)
{
free(zdata -> a);
free(zdata -> ap);
free(zdata -> alpha);
free(zdata -> beta);
free(zdata -> gamma);
free(zdata);
}
zolotarev_data* higham(ZOLO_PRECISION epsilon, int n) {
INTERNAL_PRECISION A, M, c, cp, z, z0, t, epssq;
int m, czero;
zolotarev_data *zd;
izd *d = (izd*) malloc(sizeof(izd));
d -> type = 0;
d -> epsilon = (INTERNAL_PRECISION) epsilon;
d -> n = n;
d -> dd = n / 2;
d -> dn = d -> dd - 1 + n % 2; /* n even: dn = dd - 1, n odd: dn = dd */
d -> deg_denom = 2 * d -> dd;
d -> deg_num = 2 * d -> dn + 1;
d -> a = (INTERNAL_PRECISION*) malloc((1 + d -> dn) *
sizeof(INTERNAL_PRECISION));
d -> ap = (INTERNAL_PRECISION*) malloc(d -> dd *
sizeof(INTERNAL_PRECISION));
A = (INTERNAL_PRECISION) n;
z0 = M_PI / A;
A = n % 2 == 0 ? A : ONE / A;
M = d -> epsilon * A;
epssq = d -> epsilon * d -> epsilon;
for (m = 0; m < d -> dd; m++) {
czero = 2 * (m + 1) == n; /* n even and m = dd - 1*/
if (!czero) {
z = z0 * ((INTERNAL_PRECISION) m + ONE);
t = tan(z);
c = - t*t;
(d -> a)[d -> dn - 1 - m] = c;
M *= epssq - c;
}
z = z0 * ((INTERNAL_PRECISION) m + HALF);
t = tan(z);
cp = - t*t;
(d -> ap)[d -> dd - 1 - m] = cp;
M /= epssq - cp;
}
d -> gamma = (INTERNAL_PRECISION*) malloc((1 + d -> n) *
sizeof(INTERNAL_PRECISION));
for (m = 0; m < d -> n; m++) d -> gamma[m] = ONE;
d -> A = A;
d -> Delta = ONE - M;
construct_partfrac(d);
construct_contfrac(d);
/* Converting everything to PRECISION for external use only */
zd = (zolotarev_data*) malloc(sizeof(zolotarev_data));
zd -> A = (ZOLO_PRECISION) d -> A;
zd -> Delta = (ZOLO_PRECISION) d -> Delta;
zd -> epsilon = (ZOLO_PRECISION) d -> epsilon;
zd -> n = d -> n;
zd -> type = d -> type;
zd -> dn = d -> dn;
zd -> dd = d -> dd;
zd -> da = d -> da;
zd -> db = d -> db;
zd -> deg_num = d -> deg_num;
zd -> deg_denom = d -> deg_denom;
zd -> a = (ZOLO_PRECISION*) malloc(zd -> dn * sizeof(ZOLO_PRECISION));
for (m = 0; m < zd -> dn; m++) zd -> a[m] = (ZOLO_PRECISION) d -> a[m];
free(d -> a);
zd -> ap = (ZOLO_PRECISION*) malloc(zd -> dd * sizeof(ZOLO_PRECISION));
for (m = 0; m < zd -> dd; m++) zd -> ap[m] = (ZOLO_PRECISION) d -> ap[m];
free(d -> ap);
zd -> alpha = (ZOLO_PRECISION*) malloc(zd -> da * sizeof(ZOLO_PRECISION));
for (m = 0; m < zd -> da; m++) zd -> alpha[m] = (ZOLO_PRECISION) d -> alpha[m];
free(d -> alpha);
zd -> beta = (ZOLO_PRECISION*) malloc(zd -> db * sizeof(ZOLO_PRECISION));
for (m = 0; m < zd -> db; m++) zd -> beta[m] = (ZOLO_PRECISION) d -> beta[m];
free(d -> beta);
zd -> gamma = (ZOLO_PRECISION*) malloc(zd -> n * sizeof(ZOLO_PRECISION));
for (m = 0; m < zd -> n; m++) zd -> gamma[m] = (ZOLO_PRECISION) d -> gamma[m];
free(d -> gamma);
free(d);
return zd;
}
NAMESPACE_END(Approx);
NAMESPACE_END(Grid);
#ifdef TEST
#undef ZERO
#define ZERO ((ZOLO_PRECISION) 0)
#undef ONE
#define ONE ((ZOLO_PRECISION) 1)
#undef TWO
#define TWO ((ZOLO_PRECISION) 2)
/* Evaluate the rational approximation R(x) using the factored form */
static ZOLO_PRECISION zolotarev_eval(ZOLO_PRECISION x, zolotarev_data* rdata) {
int m;
ZOLO_PRECISION R;
if (rdata -> type == 0) {
R = rdata -> A * x;
for (m = 0; m < rdata -> deg_denom/2; m++)
R *= (2*(m+1) > rdata -> deg_num ? ONE : x*x - rdata -> a[m]) /
(x*x - rdata -> ap[m]);
} else {
R = rdata -> A / x;
for (m = 0; m < rdata -> deg_num/2; m++)
R *= (x*x - rdata -> a[m]) /
(2*(m+1) > rdata -> deg_denom ? ONE : x*x - rdata -> ap[m]);
}
return R;
}
/* Evaluate the rational approximation R(x) using the partial fraction form */
static ZOLO_PRECISION zolotarev_partfrac_eval(ZOLO_PRECISION x, zolotarev_data* rdata) {
int m;
ZOLO_PRECISION R = rdata -> alpha[rdata -> da - 1];
for (m = 0; m < rdata -> dd; m++)
R += rdata -> alpha[m] / (x * x - rdata -> ap[m]);
if (rdata -> type == 1) R += rdata -> alpha[rdata -> dd] / (x * x);
return R * x;
}
/* Evaluate the rational approximation R(x) using continued fraction form.
*
* If x = 0 and type = 1 then the result should be INF, whereas if x = 0 and
* type = 0 then the result should be 0, but division by zero will occur at
* intermediate stages of the evaluation. For IEEE implementations with
* non-signalling overflow this will work correctly since 1/(1/0) = 1/INF = 0,
* but with signalling overflow you will get an error message. */
static ZOLO_PRECISION zolotarev_contfrac_eval(ZOLO_PRECISION x, zolotarev_data* rdata) {
int m;
ZOLO_PRECISION R = rdata -> beta[0] * x;
for (m = 1; m < rdata -> db; m++) R = rdata -> beta[m] * x + ONE / R;
return R;
}
/* Evaluate the rational approximation R(x) using Cayley form */
static ZOLO_PRECISION zolotarev_cayley_eval(ZOLO_PRECISION x, zolotarev_data* rdata) {
int m;
ZOLO_PRECISION T;
T = rdata -> type == 0 ? ONE : -ONE;
for (m = 0; m < rdata -> n; m++)
T *= (rdata -> gamma[m] - x) / (rdata -> gamma[m] + x);
return (ONE - T) / (ONE + T);
}
/* Test program. Apart from printing out the parameters for R(x) it produces
* the following data files for plotting (unless NPLOT is defined):
*
* zolotarev-fn is a plot of R(x) for |x| < 1.2. This should look like sgn(x).
*
* zolotarev-err is a plot of the error |R(x) - sgn(x)| scaled by 1/Delta. This
* should oscillate deg_num + deg_denom + 2 times between +1 and -1 over the
* domain epsilon <= |x| <= 1.
*
* If ALLPLOTS is defined then zolotarev-partfrac (zolotarev-contfrac) is a
* plot of the difference between the values of R(x) computed using the
* factored form and the partial fraction (continued fraction) form, scaled by
* 1/Delta. It should be zero everywhere. */
int main(int argc, char** argv) {
int m, n, plotpts = 5000, type = 0;
float eps, x, ypferr, ycferr, ycaylerr, maxypferr, maxycferr, maxycaylerr;
zolotarev_data *rdata;
ZOLO_PRECISION y;
FILE *plot_function, *plot_error,
*plot_partfrac, *plot_contfrac, *plot_cayley;
if (argc < 3 || argc > 4) {
fprintf(stderr, "Usage: %s epsilon n [type]\n", *argv);
exit(EXIT_FAILURE);
}
sscanf(argv[1], "%g", &eps); /* First argument is epsilon */
sscanf(argv[2], "%d", &n); /* Second argument is n */
if (argc == 4) sscanf(argv[3], "%d", &type); /* Third argument is type */
if (type < 0 || type > 2) {
fprintf(stderr, "%s: type must be 0 (Zolotarev R(0) = 0),\n"
"\t\t1 (Zolotarev R(0) = Inf, or 2 (Higham)\n", *argv);
exit(EXIT_FAILURE);
}
rdata = type == 2
? higham((ZOLO_PRECISION) eps, n)
: zolotarev((ZOLO_PRECISION) eps, n, type);
printf("Zolotarev Test: R(epsilon = %g, n = %d, type = %d)\n\t"
STRINGIFY(VERSION) "\n\t" STRINGIFY(HVERSION)
"\n\tINTERNAL_PRECISION = " STRINGIFY(INTERNAL_PRECISION)
"\tZOLO_PRECISION = " STRINGIFY(ZOLO_PRECISION)
"\n\n\tRational approximation of degree (%d,%d), %s at x = 0\n"
"\tDelta = %g (maximum error)\n\n"
"\tA = %g (overall factor)\n",
(float) rdata -> epsilon, rdata -> n, type,
rdata -> deg_num, rdata -> deg_denom,
rdata -> type == 1 ? "infinite" : "zero",
(float) rdata -> Delta, (float) rdata -> A);
for (m = 0; m < MIN(rdata -> dd, rdata -> dn); m++)
printf("\ta[%2d] = %14.8g\t\ta'[%2d] = %14.8g\n",
m + 1, (float) rdata -> a[m], m + 1, (float) rdata -> ap[m]);
if (rdata -> dd > rdata -> dn)
printf("\t\t\t\t\ta'[%2d] = %14.8g\n",
rdata -> dn + 1, (float) rdata -> ap[rdata -> dn]);
if (rdata -> dd < rdata -> dn)
printf("\ta[%2d] = %14.8g\n",
rdata -> dd + 1, (float) rdata -> a[rdata -> dd]);
printf("\n\tPartial fraction coefficients\n");
printf("\talpha[ 0] = %14.8g\n",
(float) rdata -> alpha[rdata -> da - 1]);
for (m = 0; m < rdata -> dd; m++)
printf("\talpha[%2d] = %14.8g\ta'[%2d] = %14.8g\n",
m + 1, (float) rdata -> alpha[m], m + 1, (float) rdata -> ap[m]);
if (rdata -> type == 1)
printf("\talpha[%2d] = %14.8g\ta'[%2d] = %14.8g\n",
rdata -> dd + 1, (float) rdata -> alpha[rdata -> dd],
rdata -> dd + 1, (float) ZERO);
printf("\n\tContinued fraction coefficients\n");
for (m = 0; m < rdata -> db; m++)
printf("\tbeta[%2d] = %14.8g\n", m, (float) rdata -> beta[m]);
printf("\n\tCayley transform coefficients\n");
for (m = 0; m < rdata -> n; m++)
printf("\tgamma[%2d] = %14.8g\n", m, (float) rdata -> gamma[m]);
#ifndef NPLOT
plot_function = fopen("zolotarev-fn.dat", "w");
plot_error = fopen("zolotarev-err.dat", "w");
#ifdef ALLPLOTS
plot_partfrac = fopen("zolotarev-partfrac.dat", "w");
plot_contfrac = fopen("zolotarev-contfrac.dat", "w");
plot_cayley = fopen("zolotarev-cayley.dat", "w");
#endif /* ALLPLOTS */
for (m = 0, maxypferr = maxycferr = maxycaylerr = 0.0; m <= plotpts; m++) {
x = 2.4 * (float) m / plotpts - 1.2;
if (rdata -> type == 0 || fabs(x) * (float) plotpts > 1.0) {
/* skip x = 0 for type 1, as R(0) is singular */
y = zolotarev_eval((ZOLO_PRECISION) x, rdata);
fprintf(plot_function, "%g %g\n", x, (float) y);
fprintf(plot_error, "%g %g\n",
x, (float)((y - ((x > 0.0 ? ONE : -ONE))) / rdata -> Delta));
ypferr = (float)((zolotarev_partfrac_eval((ZOLO_PRECISION) x, rdata) - y)
/ rdata -> Delta);
ycferr = (float)((zolotarev_contfrac_eval((ZOLO_PRECISION) x, rdata) - y)
/ rdata -> Delta);
ycaylerr = (float)((zolotarev_cayley_eval((ZOLO_PRECISION) x, rdata) - y)
/ rdata -> Delta);
if (fabs(x) < 1.0 && fabs(x) > rdata -> epsilon) {
maxypferr = MAX(maxypferr, fabs(ypferr));
maxycferr = MAX(maxycferr, fabs(ycferr));
maxycaylerr = MAX(maxycaylerr, fabs(ycaylerr));
}
#ifdef ALLPLOTS
fprintf(plot_partfrac, "%g %g\n", x, ypferr);
fprintf(plot_contfrac, "%g %g\n", x, ycferr);
fprintf(plot_cayley, "%g %g\n", x, ycaylerr);
#endif /* ALLPLOTS */
}
}
#ifdef ALLPLOTS
fclose(plot_cayley);
fclose(plot_contfrac);
fclose(plot_partfrac);
#endif /* ALLPLOTS */
fclose(plot_error);
fclose(plot_function);
printf("\n\tMaximum PF error = %g (relative to Delta)\n", maxypferr);
printf("\tMaximum CF error = %g (relative to Delta)\n", maxycferr);
printf("\tMaximum Cayley error = %g (relative to Delta)\n", maxycaylerr);
#endif /* NPLOT */
free(rdata -> a);
free(rdata -> ap);
free(rdata -> alpha);
free(rdata -> beta);
free(rdata -> gamma);
free(rdata);
return EXIT_SUCCESS;
}
#endif /* TEST */
-89
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@@ -1,89 +0,0 @@
/* -*- Mode: C; comment-column: 22; fill-column: 79; -*- */
#ifdef __cplusplus
#include <Grid/Namespace.h>
NAMESPACE_BEGIN(Grid);
NAMESPACE_BEGIN(Approx);
#endif
#define HVERSION Header Time-stamp: <14-OCT-2004 09:26:51.00 adk@MISSCONTRARY>
#ifndef ZOLOTAREV_INTERNAL
#ifndef ZOLO_PRECISION
#define ZOLO_PRECISION double
#endif
#define ZPRECISION ZOLO_PRECISION
#define ZOLOTAREV_DATA zolotarev_data
#endif
/* This struct contains the coefficients which parameterise an optimal rational
* approximation to the signum function.
*
* The parameterisations used are:
*
* Factored form for type 0 (R0(0) = 0)
*
* R0(x) = A * x * prod(x^2 - a[j], j = 0 .. dn-1) / prod(x^2 - ap[j], j = 0
* .. dd-1),
*
* where deg_num = 2*dn + 1 and deg_denom = 2*dd.
*
* Factored form for type 1 (R1(0) = infinity)
*
* R1(x) = (A / x) * prod(x^2 - a[j], j = 0 .. dn-1) / prod(x^2 - ap[j], j = 0
* .. dd-1),
*
* where deg_num = 2*dn and deg_denom = 2*dd + 1.
*
* Partial fraction form
*
* R(x) = alpha[da] * x + sum(alpha[j] * x / (x^2 - ap[j]), j = 0 .. da-1)
*
* where da = dd for type 0 and da = dd + 1 with ap[dd] = 0 for type 1.
*
* Continued fraction form
*
* R(x) = beta[db-1] * x + 1 / (beta[db-2] * x + 1 / (beta[db-3] * x + ...))
*
* with the final coefficient being beta[0], with d' = 2 * dd + 1 for type 0
* and db = 2 * dd + 2 for type 1.
*
* Cayley form (Chiu's domain wall formulation)
*
* R(x) = (1 - T(x)) / (1 + T(x))
*
* where T(x) = prod((x - gamma[j]) / (x + gamma[j]), j = 0 .. n-1)
*/
typedef struct {
ZPRECISION *a, /* zeros of numerator, a[0 .. dn-1] */
*ap, /* poles (zeros of denominator), ap[0 .. dd-1] */
A, /* overall factor */
*alpha, /* coefficients of partial fraction, alpha[0 .. da-1] */
*beta, /* coefficients of continued fraction, beta[0 .. db-1] */
*gamma, /* zeros of numerator of T in Cayley form */
Delta, /* maximum error, |R(x) - sgn(x)| <= Delta */
epsilon; /* minimum x value, epsilon < |x| < 1 */
int n, /* approximation degree */
type, /* 0: R(0) = 0, 1: R(0) = infinity */
dn, dd, da, db, /* number of elements of a, ap, alpha, and beta */
deg_num, /* degree of numerator = deg_denom +/- 1 */
deg_denom; /* degree of denominator */
} ZOLOTAREV_DATA;
#ifndef ZOLOTAREV_INTERNAL
/* zolotarev(epsilon, n, type) returns a pointer to an initialised
* zolotarev_data structure. The arguments must satisfy the constraints that
* epsilon > 0, n > 0, and type = 0 or 1. */
ZOLOTAREV_DATA* higham(ZOLO_PRECISION epsilon, int n) ;
ZOLOTAREV_DATA* zolotarev(ZOLO_PRECISION epsilon, int n, int type);
void zolotarev_free(zolotarev_data *zdata);
#endif
#ifdef __cplusplus
NAMESPACE_END(Approx);
NAMESPACE_END(Grid);
#endif
-208
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@@ -1,208 +0,0 @@
/*
Mike Clark - 25th May 2005
bigfloat.h
Simple C++ wrapper for multiprecision datatype used by AlgRemez
algorithm
*/
#ifndef INCLUDED_BIGFLOAT_H
#define INCLUDED_BIGFLOAT_H
#define __GMP_WITHIN_CONFIGURE
#include <gmp.h>
#include <mpf2mpfr.h>
#include <mpfr.h>
#undef __GMP_WITHIN_CONFIGURE
class bigfloat {
private:
mpf_t x;
public:
bigfloat() { mpf_init(x); }
bigfloat(const bigfloat& y) { mpf_init_set(x, y.x); }
bigfloat(const unsigned long u) { mpf_init_set_ui(x, u); }
bigfloat(const long i) { mpf_init_set_si(x, i); }
bigfloat(const int i) {mpf_init_set_si(x,(long)i);}
bigfloat(const float d) { mpf_init_set_d(x, (double)d); }
bigfloat(const double d) { mpf_init_set_d(x, d); }
bigfloat(const char *str) { mpf_init_set_str(x, (char*)str, 10); }
~bigfloat(void) { mpf_clear(x); }
operator double (void) const { return (double)mpf_get_d(x); }
static void setDefaultPrecision(unsigned long dprec) {
unsigned long bprec = (unsigned long)(3.321928094 * (double)dprec);
mpf_set_default_prec(bprec);
}
void setPrecision(unsigned long dprec) {
unsigned long bprec = (unsigned long)(3.321928094 * (double)dprec);
mpf_set_prec(x,bprec);
}
unsigned long getPrecision(void) const { return mpf_get_prec(x); }
unsigned long getDefaultPrecision(void) const { return mpf_get_default_prec(); }
bigfloat& operator=(const bigfloat& y) {
mpf_set(x, y.x);
return *this;
}
bigfloat& operator=(const unsigned long y) {
mpf_set_ui(x, y);
return *this;
}
bigfloat& operator=(const signed long y) {
mpf_set_si(x, y);
return *this;
}
bigfloat& operator=(const float y) {
mpf_set_d(x, (double)y);
return *this;
}
bigfloat& operator=(const double y) {
mpf_set_d(x, y);
return *this;
}
size_t write(void);
size_t read(void);
/* Arithmetic Functions */
bigfloat& operator+=(const bigfloat& y) { return *this = *this + y; }
bigfloat& operator-=(const bigfloat& y) { return *this = *this - y; }
bigfloat& operator*=(const bigfloat& y) { return *this = *this * y; }
bigfloat& operator/=(const bigfloat& y) { return *this = *this / y; }
friend bigfloat operator+(const bigfloat& x, const bigfloat& y) {
bigfloat a;
mpf_add(a.x,x.x,y.x);
return a;
}
friend bigfloat operator+(const bigfloat& x, const unsigned long y) {
bigfloat a;
mpf_add_ui(a.x,x.x,y);
return a;
}
friend bigfloat operator-(const bigfloat& x, const bigfloat& y) {
bigfloat a;
mpf_sub(a.x,x.x,y.x);
return a;
}
friend bigfloat operator-(const unsigned long x, const bigfloat& y) {
bigfloat a;
mpf_ui_sub(a.x,x,y.x);
return a;
}
friend bigfloat operator-(const bigfloat& x, const unsigned long y) {
bigfloat a;
mpf_sub_ui(a.x,x.x,y);
return a;
}
friend bigfloat operator-(const bigfloat& x) {
bigfloat a;
mpf_neg(a.x,x.x);
return a;
}
friend bigfloat operator*(const bigfloat& x, const bigfloat& y) {
bigfloat a;
mpf_mul(a.x,x.x,y.x);
return a;
}
friend bigfloat operator*(const bigfloat& x, const unsigned long y) {
bigfloat a;
mpf_mul_ui(a.x,x.x,y);
return a;
}
friend bigfloat operator/(const bigfloat& x, const bigfloat& y){
bigfloat a;
mpf_div(a.x,x.x,y.x);
return a;
}
friend bigfloat operator/(const unsigned long x, const bigfloat& y){
bigfloat a;
mpf_ui_div(a.x,x,y.x);
return a;
}
friend bigfloat operator/(const bigfloat& x, const unsigned long y){
bigfloat a;
mpf_div_ui(a.x,x.x,y);
return a;
}
friend bigfloat sqrt_bf(const bigfloat& x){
bigfloat a;
mpf_sqrt(a.x,x.x);
return a;
}
friend bigfloat sqrt_bf(const unsigned long x){
bigfloat a;
mpf_sqrt_ui(a.x,x);
return a;
}
friend bigfloat abs_bf(const bigfloat& x){
bigfloat a;
mpf_abs(a.x,x.x);
return a;
}
friend bigfloat pow_bf(const bigfloat& a, long power) {
bigfloat b;
mpf_pow_ui(b.x,a.x,power);
return b;
}
friend bigfloat pow_bf(const bigfloat& a, bigfloat &power) {
bigfloat b;
mpfr_pow(b.x,a.x,power.x,GMP_RNDN);
return b;
}
friend bigfloat exp_bf(const bigfloat& a) {
bigfloat b;
mpfr_exp(b.x,a.x,GMP_RNDN);
return b;
}
/* Comparison Functions */
friend int operator>(const bigfloat& x, const bigfloat& y) {
int test;
test = mpf_cmp(x.x,y.x);
if (test > 0) return 1;
else return 0;
}
friend int operator<(const bigfloat& x, const bigfloat& y) {
int test;
test = mpf_cmp(x.x,y.x);
if (test < 0) return 1;
else return 0;
}
friend int sgn(const bigfloat&);
};
#endif
-195
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@@ -1,195 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/approx/bigfloat_double.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef INCLUDED_BIGFLOAT_DOUBLE_H
#define INCLUDED_BIGFLOAT_DOUBLE_H
#include <math.h>
typedef double mfloat;
class bigfloat {
private:
mfloat x;
public:
bigfloat() { }
bigfloat(const bigfloat& y) { x=y.x; }
bigfloat(const unsigned long u) { x=u; }
bigfloat(const long i) { x=i; }
bigfloat(const int i) { x=i;}
bigfloat(const float d) { x=d;}
bigfloat(const double d) { x=d;}
bigfloat(const char *str) { x=std::stod(std::string(str));}
~bigfloat(void) { }
operator double (void) const { return (double)x; }
static void setDefaultPrecision(unsigned long dprec) {
}
void setPrecision(unsigned long dprec) {
}
unsigned long getPrecision(void) const { return 64; }
unsigned long getDefaultPrecision(void) const { return 64; }
bigfloat& operator=(const bigfloat& y) { x=y.x; return *this; }
bigfloat& operator=(const unsigned long y) { x=y; return *this; }
bigfloat& operator=(const signed long y) { x=y; return *this; }
bigfloat& operator=(const float y) { x=y; return *this; }
bigfloat& operator=(const double y) { x=y; return *this; }
size_t write(void);
size_t read(void);
/* Arithmetic Functions */
bigfloat& operator+=(const bigfloat& y) { return *this = *this + y; }
bigfloat& operator-=(const bigfloat& y) { return *this = *this - y; }
bigfloat& operator*=(const bigfloat& y) { return *this = *this * y; }
bigfloat& operator/=(const bigfloat& y) { return *this = *this / y; }
friend bigfloat operator+(const bigfloat& x, const bigfloat& y) {
bigfloat a;
a.x=x.x+y.x;
return a;
}
friend bigfloat operator+(const bigfloat& x, const unsigned long y) {
bigfloat a;
a.x=x.x+y;
return a;
}
friend bigfloat operator-(const bigfloat& x, const bigfloat& y) {
bigfloat a;
a.x=x.x-y.x;
return a;
}
friend bigfloat operator-(const unsigned long x, const bigfloat& y) {
bigfloat bx(x);
return bx-y;
}
friend bigfloat operator-(const bigfloat& x, const unsigned long y) {
bigfloat by(y);
return x-by;
}
friend bigfloat operator-(const bigfloat& x) {
bigfloat a;
a.x=-x.x;
return a;
}
friend bigfloat operator*(const bigfloat& x, const bigfloat& y) {
bigfloat a;
a.x=x.x*y.x;
return a;
}
friend bigfloat operator*(const bigfloat& x, const unsigned long y) {
bigfloat a;
a.x=x.x*y;
return a;
}
friend bigfloat operator/(const bigfloat& x, const bigfloat& y){
bigfloat a;
a.x=x.x/y.x;
return a;
}
friend bigfloat operator/(const unsigned long x, const bigfloat& y){
bigfloat bx(x);
return bx/y;
}
friend bigfloat operator/(const bigfloat& x, const unsigned long y){
bigfloat by(y);
return x/by;
}
friend bigfloat sqrt_bf(const bigfloat& x){
bigfloat a;
a.x= sqrt(x.x);
return a;
}
friend bigfloat sqrt_bf(const unsigned long x){
bigfloat a(x);
return sqrt_bf(a);
}
friend bigfloat abs_bf(const bigfloat& x){
bigfloat a;
a.x=fabs(x.x);
return a;
}
friend bigfloat pow_bf(const bigfloat& a, long power) {
bigfloat b;
b.x=pow(a.x,power);
return b;
}
friend bigfloat pow_bf(const bigfloat& a, bigfloat &power) {
bigfloat b;
b.x=pow(a.x,power.x);
return b;
}
friend bigfloat exp_bf(const bigfloat& a) {
bigfloat b;
b.x=exp(a.x);
return b;
}
/* Comparison Functions */
friend int operator>(const bigfloat& x, const bigfloat& y) {
return x.x>y.x;
}
friend int operator<(const bigfloat& x, const bigfloat& y) {
return x.x<y.x;
}
friend int sgn(const bigfloat& x) {
if ( x.x>=0 ) return 1;
else return 0;
}
/* Miscellaneous Functions */
// friend bigfloat& random(void);
};
#endif
-34
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@@ -1,34 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: BatchedBlas.h
Copyright (C) 2023
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#include <Grid/GridCore.h>
#include <Grid/algorithms/blas/BatchedBlas.h>
NAMESPACE_BEGIN(Grid);
gridblasHandle_t GridBLAS::gridblasHandle;
int GridBLAS::gridblasInit;
NAMESPACE_END(Grid);
File diff suppressed because it is too large. Load diff
-362
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/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: BatchedInverse.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/blas/BatchedBlas.h>
#ifdef GRID_HIP
#include <rocsolver/rocsolver.h>
#endif
// GRID_CUDA: batched LU inversion lives in cuBLAS (getrfBatched/getriBatched);
// cublas_v2.h already included via BatchedBlas.h.
// GRID_SYCL: oneapi/mkl.hpp already included via BatchedBlas.h (lapack::getrf/getri).
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////
// GridBLASInverse: cross-platform batched dense matrix inversion.
//
// HIGH LEVEL contract (deliberately NOT a getrf/getrs interface): invert a
// batch of dense N x N matrices IN PLACE,
//
// A[i] <- A[i]^{-1} i = 0 .. batchCount-1
//
// Layout: column major, lda = N, contiguous per batch element; pointer list
// exactly as GridBLAS::gemmBatched (deviceVector<T*> of device pointers).
// Each backend chooses HOW:
// HIP : rocSOLVER getrf_batched + getri_batched
// CUDA : cuBLAS getrfBatched + getriBatched (out-of-place getri; workspace
// hidden here, result copied back so the surface stays in-place)
// SYCL : oneMKL LAPACK getrf + getri per batch element (USM, in-order queue)
// CPU : Eigen PartialPivLU (the correctness oracle for all of the above)
//
// The int32 vendor-batched entry points bound N < 2^31 (asserted); the huge
// single-matrix ILP64 path (getrf_64 + blocked identity-getrs harvest, proven
// in the dense coarse-coarse setup at N=69120) migrates here as a batch==1
// large-N dispatch in a follow-up -- the recursive Schur leaves are the
// batched consumers this surface is shaped for.
//
// NB GPU-backend call signatures are written to vendor documentation but the
// air-gapped development loop compiles only the CPU/Eigen path; verify the
// rocSOLVER/cuBLAS/oneMKL calls against headers on first device compile.
// Semantics are locked by the CPU unit test (Test_batched_blas).
///////////////////////////////////////////////////////////////////////////////
class GridBLASInverse {
public:
#ifdef GRID_HIP
// rocSOLVER runs on a rocblas_handle (distinct type from hipblasHandle_t)
static rocblas_handle & Handle(void) {
static rocblas_handle h;
static int init = 0;
if ( !init ) {
auto st = rocblas_create_handle(&h);
GRID_ASSERT(st == rocblas_status_success);
init = 1;
}
return h;
}
#endif
#ifdef GRID_CUDA
// cuBLAS batched LU shares the GridBLAS handle
static cublasHandle_t & Handle(void) {
GridBLAS::Init();
return GridBLAS::gridblasHandle;
}
#endif
#ifdef GRID_SYCL
static sycl::queue * & Handle(void) {
GridBLAS::Init();
return GridBLAS::gridblasHandle;
}
#endif
GridBLASInverse() {};
~GridBLASInverse() {};
///////////////////////////////////////////////////////////////////////////
// SINGLE large matrix, in place: blocked LU + identity solve.
// HIP : rocsolver_zgetrf_64 (blocked, GEMM-based) then ONE zgetrs_64 with
// the N x N identity as RHS (trsm-based) into a scratch N x N, copied
// back. Extra device memory: N*N*16 B (1.2 GB at N=8640).
// other backends: falls through to inverseBatched(batch 1).
// Why: rocSOLVER getri_batched is a small-matrix routine -- measured 0.35 s
// at N=1920, 0.53 s at 4320, 1.84 s at 8640 (n^1.2-1.8, i.e. overhead
// bound) as the big-leaf inverse of the 2D Schur recursion, where 287
// ranks wait on it. The _64 getrf/getrs pair is the path proven in the
// 1-rank dense coarse-coarse setup at N=69120 (DenseCoarseMatrix.h).
// Same in-place, column-major, lda=N contract as inverseBatched.
// ComplexD and ComplexF overloads (z*_64 / c*_64), so the distributed
// dense inverse can run in either precision (DenseInverseScalar).
// NB: written to rocSOLVER's documented *_64 signatures; not compiled on
// HIP in the air-gapped loop -- verify on first hipcc build.
///////////////////////////////////////////////////////////////////////////
double lastGetrfUs = 0.0, lastGetrsUs = 0.0; // split timing of the last inverseLU (HIP path)
void inverseLU(int64_t N, ComplexD *A)
{
#ifdef GRID_HIP
rocblas_handle handle = Handle();
deviceVector<int64_t> ipiv((uint64_t)N);
deviceVector<int64_t> info(1);
double t0 = usecond();
auto st1 = rocsolver_zgetrf_64(handle, N, N, (rocblas_double_complex *)A, N, &ipiv[0], &info[0]);
GRID_ASSERT(st1 == rocblas_status_success);
accelerator_barrier();
lastGetrfUs = usecond()-t0;
int64_t info_h = -1; acceleratorCopyFromDevice(&info[0], &info_h, sizeof(int64_t));
GRID_ASSERT(info_h == 0);
deviceVector<ComplexD> X((uint64_t)N*N);
{ ComplexD *x = &X[0]; const int64_t NN = N;
accelerator_for(idx, (uint64_t)N*N, 1, { int64_t j = idx/NN, i = idx - j*NN; x[idx] = (i==j) ? ComplexD(1.0,0.0) : ComplexD(0.0,0.0); });
accelerator_barrier(); }
auto st2 = rocsolver_zgetrs_64(handle, rocblas_operation_none, N, N,
(rocblas_double_complex *)A, N, &ipiv[0],
(rocblas_double_complex *)&X[0], N);
GRID_ASSERT(st2 == rocblas_status_success);
accelerator_barrier();
lastGetrsUs = usecond()-t0-lastGetrfUs;
acceleratorCopyDeviceToDevice((void *)&X[0], (void *)A, (uint64_t)N*N*sizeof(ComplexD));
#else
deviceVector<ComplexD*> bp(1); std::vector<ComplexD*> ptr(1); ptr[0] = A;
acceleratorCopyToDevice(&ptr[0], &bp[0], sizeof(ComplexD*));
inverseBatched(N, bp);
#endif
}
// fp32 overload: the Schur-recursion leaf under --enable-dense-inverse-precision=single
void inverseLU(int64_t N, ComplexF *A)
{
#ifdef GRID_HIP
rocblas_handle handle = Handle();
deviceVector<int64_t> ipiv((uint64_t)N);
deviceVector<int64_t> info(1);
double t0 = usecond();
auto st1 = rocsolver_cgetrf_64(handle, N, N, (rocblas_float_complex *)A, N, &ipiv[0], &info[0]);
GRID_ASSERT(st1 == rocblas_status_success);
accelerator_barrier();
lastGetrfUs = usecond()-t0;
int64_t info_h = -1; acceleratorCopyFromDevice(&info[0], &info_h, sizeof(int64_t));
GRID_ASSERT(info_h == 0);
deviceVector<ComplexF> X((uint64_t)N*N);
{ ComplexF *x = &X[0]; const int64_t NN = N;
accelerator_for(idx, (uint64_t)N*N, 1, { int64_t j = idx/NN, i = idx - j*NN; x[idx] = (i==j) ? ComplexF(1.0,0.0) : ComplexF(0.0,0.0); });
accelerator_barrier(); }
auto st2 = rocsolver_cgetrs_64(handle, rocblas_operation_none, N, N,
(rocblas_float_complex *)A, N, &ipiv[0],
(rocblas_float_complex *)&X[0], N);
GRID_ASSERT(st2 == rocblas_status_success);
accelerator_barrier();
lastGetrsUs = usecond()-t0-lastGetrfUs;
acceleratorCopyDeviceToDevice((void *)&X[0], (void *)A, (uint64_t)N*N*sizeof(ComplexF));
#else
deviceVector<ComplexF*> bp(1); std::vector<ComplexF*> ptr(1); ptr[0] = A;
acceleratorCopyToDevice(&ptr[0], &bp[0], sizeof(ComplexF*));
inverseBatched(N, bp);
#endif
}
void inverseBatched(int64_t N, deviceVector<ComplexF*> &Amat)
{
int32_t batchCount = Amat.size();
GRID_ASSERT(batchCount > 0);
#ifdef GRID_HIP
GRID_ASSERT( N < 2147483647L );
rocblas_int n = (rocblas_int)N;
rocblas_int lda = (rocblas_int)N;
deviceVector<rocblas_int> ipiv((uint64_t)batchCount*N);
deviceVector<rocblas_int> info(batchCount);
auto st1 = rocsolver_cgetrf_batched(Handle(), n, n,
(rocblas_float_complex *const *)&Amat[0], lda,
&ipiv[0], (rocblas_stride)N,
&info[0], batchCount);
GRID_ASSERT(st1 == rocblas_status_success);
auto st2 = rocsolver_cgetri_batched(Handle(), n,
(rocblas_float_complex *const *)&Amat[0], lda,
&ipiv[0], (rocblas_stride)N,
&info[0], batchCount);
GRID_ASSERT(st2 == rocblas_status_success);
accelerator_barrier();
std::vector<rocblas_int> info_h(batchCount);
acceleratorCopyFromDevice(&info[0],&info_h[0],batchCount*sizeof(rocblas_int));
for(int i=0;i<batchCount;i++) GRID_ASSERT(info_h[i]==0); // singular pivot => abort loudly
#endif
#ifdef GRID_CUDA
GRID_ASSERT( N < 2147483647L );
int n = (int)N;
deviceVector<int> ipiv((uint64_t)batchCount*N);
deviceVector<int> info(batchCount);
auto st1 = cublasCgetrfBatched(Handle(), n,
(cuComplex **)&Amat[0], n,
&ipiv[0], &info[0], batchCount);
GRID_ASSERT(st1 == CUBLAS_STATUS_SUCCESS);
// getri is OUT of place: hidden workspace keeps the surface in-place
deviceVector<ComplexF> work((uint64_t)batchCount*N*N);
deviceVector<ComplexF*> Cptr(batchCount);
std::vector<ComplexF*> Cptr_h(batchCount);
std::vector<ComplexF*> Aptr_h(batchCount);
for(int i=0;i<batchCount;i++) Cptr_h[i] = &work[(uint64_t)i*N*N];
acceleratorCopyToDevice(&Cptr_h[0],&Cptr[0],batchCount*sizeof(ComplexF*));
acceleratorCopyFromDevice(&Amat[0],&Aptr_h[0],batchCount*sizeof(ComplexF*));
auto st2 = cublasCgetriBatched(Handle(), n,
(const cuComplex *const *)&Amat[0], n,
&ipiv[0],
(cuComplex **)&Cptr[0], n,
&info[0], batchCount);
GRID_ASSERT(st2 == CUBLAS_STATUS_SUCCESS);
accelerator_barrier();
std::vector<int> info_h(batchCount);
acceleratorCopyFromDevice(&info[0],&info_h[0],batchCount*sizeof(int));
for(int i=0;i<batchCount;i++) GRID_ASSERT(info_h[i]==0);
for(int i=0;i<batchCount;i++)
acceleratorCopyDeviceToDevice(Cptr_h[i],Aptr_h[i],(uint64_t)N*N*sizeof(ComplexF));
#endif
#ifdef GRID_SYCL
// Per-element oneMKL LAPACK on the in-order queue; group API optimisation later.
sycl::queue *q = Handle();
std::vector<ComplexF*> Aptr_h(batchCount);
acceleratorCopyFromDevice(&Amat[0],&Aptr_h[0],batchCount*sizeof(ComplexF*));
int64_t lwf = oneapi::mkl::lapack::getrf_scratchpad_size<std::complex<float> >(*q,N,N,N);
int64_t lwi = oneapi::mkl::lapack::getri_scratchpad_size<std::complex<float> >(*q,N,N);
deviceVector<ComplexF> scratchf(lwf);
deviceVector<ComplexF> scratchi(lwi);
deviceVector<int64_t> ipiv(N);
for(int i=0;i<batchCount;i++){
oneapi::mkl::lapack::getrf(*q,N,N,(std::complex<float>*)Aptr_h[i],N,&ipiv[0],
(std::complex<float>*)&scratchf[0],lwf);
oneapi::mkl::lapack::getri(*q,N, (std::complex<float>*)Aptr_h[i],N,&ipiv[0],
(std::complex<float>*)&scratchi[0],lwi);
}
q->wait();
#endif
#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP)
// Reference implementation; the oracle the unit test locks semantics with.
thread_for (p, batchCount, {
Eigen::Map<Eigen::MatrixXcf> eA(Amat[p],N,N);
Eigen::PartialPivLU<Eigen::MatrixXcf> lu(eA);
eA = lu.inverse();
});
#endif
}
void inverseBatched(int64_t N, deviceVector<ComplexD*> &Amat)
{
int32_t batchCount = Amat.size();
GRID_ASSERT(batchCount > 0);
#ifdef GRID_HIP
GRID_ASSERT( N < 2147483647L );
rocblas_int n = (rocblas_int)N;
rocblas_int lda = (rocblas_int)N;
deviceVector<rocblas_int> ipiv((uint64_t)batchCount*N);
deviceVector<rocblas_int> info(batchCount);
auto st1 = rocsolver_zgetrf_batched(Handle(), n, n,
(rocblas_double_complex *const *)&Amat[0], lda,
&ipiv[0], (rocblas_stride)N,
&info[0], batchCount);
GRID_ASSERT(st1 == rocblas_status_success);
auto st2 = rocsolver_zgetri_batched(Handle(), n,
(rocblas_double_complex *const *)&Amat[0], lda,
&ipiv[0], (rocblas_stride)N,
&info[0], batchCount);
GRID_ASSERT(st2 == rocblas_status_success);
accelerator_barrier();
std::vector<rocblas_int> info_h(batchCount);
acceleratorCopyFromDevice(&info[0],&info_h[0],batchCount*sizeof(rocblas_int));
for(int i=0;i<batchCount;i++) GRID_ASSERT(info_h[i]==0);
#endif
#ifdef GRID_CUDA
GRID_ASSERT( N < 2147483647L );
int n = (int)N;
deviceVector<int> ipiv((uint64_t)batchCount*N);
deviceVector<int> info(batchCount);
auto st1 = cublasZgetrfBatched(Handle(), n,
(cuDoubleComplex **)&Amat[0], n,
&ipiv[0], &info[0], batchCount);
GRID_ASSERT(st1 == CUBLAS_STATUS_SUCCESS);
deviceVector<ComplexD> work((uint64_t)batchCount*N*N);
deviceVector<ComplexD*> Cptr(batchCount);
std::vector<ComplexD*> Cptr_h(batchCount);
std::vector<ComplexD*> Aptr_h(batchCount);
for(int i=0;i<batchCount;i++) Cptr_h[i] = &work[(uint64_t)i*N*N];
acceleratorCopyToDevice(&Cptr_h[0],&Cptr[0],batchCount*sizeof(ComplexD*));
acceleratorCopyFromDevice(&Amat[0],&Aptr_h[0],batchCount*sizeof(ComplexD*));
auto st2 = cublasZgetriBatched(Handle(), n,
(const cuDoubleComplex *const *)&Amat[0], n,
&ipiv[0],
(cuDoubleComplex **)&Cptr[0], n,
&info[0], batchCount);
GRID_ASSERT(st2 == CUBLAS_STATUS_SUCCESS);
accelerator_barrier();
std::vector<int> info_h(batchCount);
acceleratorCopyFromDevice(&info[0],&info_h[0],batchCount*sizeof(int));
for(int i=0;i<batchCount;i++) GRID_ASSERT(info_h[i]==0);
for(int i=0;i<batchCount;i++)
acceleratorCopyDeviceToDevice(Cptr_h[i],Aptr_h[i],(uint64_t)N*N*sizeof(ComplexD));
#endif
#ifdef GRID_SYCL
sycl::queue *q = Handle();
std::vector<ComplexD*> Aptr_h(batchCount);
acceleratorCopyFromDevice(&Amat[0],&Aptr_h[0],batchCount*sizeof(ComplexD*));
int64_t lwf = oneapi::mkl::lapack::getrf_scratchpad_size<std::complex<double> >(*q,N,N,N);
int64_t lwi = oneapi::mkl::lapack::getri_scratchpad_size<std::complex<double> >(*q,N,N);
deviceVector<ComplexD> scratchf(lwf);
deviceVector<ComplexD> scratchi(lwi);
deviceVector<int64_t> ipiv(N);
for(int i=0;i<batchCount;i++){
oneapi::mkl::lapack::getrf(*q,N,N,(std::complex<double>*)Aptr_h[i],N,&ipiv[0],
(std::complex<double>*)&scratchf[0],lwf);
oneapi::mkl::lapack::getri(*q,N, (std::complex<double>*)Aptr_h[i],N,&ipiv[0],
(std::complex<double>*)&scratchi[0],lwi);
}
q->wait();
#endif
#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP)
thread_for (p, batchCount, {
Eigen::Map<Eigen::MatrixXcd> eA(Amat[p],N,N);
Eigen::PartialPivLU<Eigen::MatrixXcd> lu(eA);
eA = lu.inverse();
});
#endif
}
};
NAMESPACE_END(Grid);
-300
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@@ -1,300 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: MomentumProject.h
Copyright (C) 2025
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
/*
MultiMomProject
Import vectors -> nxyz x (ncomponent x nt)
Import complex phases -> nmom x nxy
apply = via (possibly batched) GEMM
*/
template<class Field, class ComplexField>
class MomentumProject
{
public:
typedef typename Field::scalar_type scalar;
typedef typename Field::scalar_object scalar_object;
GridBase *grid;
uint64_t nmom;
uint64_t nxyz;
uint64_t nt;
uint64_t nbtw;
uint64_t words;
deviceVector<scalar> BLAS_V; //
deviceVector<scalar> BLAS_M; //
deviceVector<scalar> BLAS_P; //
MomentumProject(){};
~MomentumProject(){ Deallocate(); };
void Deallocate(void)
{
grid=nullptr;
nmom=0;
nxyz=0;
nt=0;
nbtw=0;
words=0;
BLAS_V.resize(0);
BLAS_M.resize(0);
BLAS_P.resize(0);
}
void Allocate(int _nmom,GridBase *_grid)
{
grid=_grid;
Coordinate ldims = grid->LocalDimensions();
nmom=_nmom;
nt = ldims[grid->Nd()-1];
nxyz = grid->lSites()/nt;
words = sizeof(scalar_object)/sizeof(scalar);
nbtw = nt * words;
BLAS_V.resize (nxyz * nt * words );
BLAS_M.resize (nmom * nxyz );
BLAS_P.resize (nmom * nt * words );
}
void ImportMomenta(const std::vector <ComplexField> &momenta)
{
GRID_ASSERT(momenta.size()==nmom);
// might as well just make the momenta here
typedef typename Field::vector_object vobj;
int nd = grid->_ndimension;
uint64_t sz = BLAS_M.size();
GRID_ASSERT(momenta.size()==nmom)
GRID_ASSERT(momenta[0].Grid()==grid);
GRID_ASSERT(sz = nxyz * nmom);
Coordinate rdimensions = grid->_rdimensions;
Coordinate ldims = grid->LocalDimensions();
int64_t osites = grid->oSites();
Coordinate simd = grid->_simd_layout;
const int Nsimd = vobj::Nsimd();
uint64_t lwords = words; // local variable for copy in to GPU
int64_t Nxyz = nxyz;
auto blasData_p = &BLAS_M[0];
for(int m=0;m<momenta.size();m++){
autoView( Data , momenta[m], AcceleratorRead);
auto Data_p = &Data[0];
accelerator_for(xyz,nxyz,1,{
//////////////////////////////////////////
// isite -- map lane within buffer to lane within lattice
////////////////////////////////////////////
Coordinate lcoor(nd,0);
Lexicographic::CoorFromIndex(lcoor,xyz,ldims);
Coordinate icoor(nd);
Coordinate ocoor(nd);
for (int d = 0; d < nd; d++) {
icoor[d] = lcoor[d]/rdimensions[d];
ocoor[d] = lcoor[d]%rdimensions[d];
}
int64_t osite;
int64_t isite;
Lexicographic::IndexFromCoor(ocoor,osite,rdimensions);
Lexicographic::IndexFromCoor(icoor,isite,simd);
// BLAS_M[nmom][slice_vol]
// Fortran Column major BLAS layout is M_xyz,mom
scalar data = extractLane(isite,Data[osite]);
uint64_t idx = xyz+m*Nxyz;
blasData_p[idx] = data;
});
}
}
void ImportVector(Field &vec)
{
typedef typename Field::vector_object vobj;
int nd = grid->_ndimension;
uint64_t sz = BLAS_V.size();
GRID_ASSERT(sz = nxyz * words * nt);
Coordinate rdimensions = grid->_rdimensions;
Coordinate ldims= grid->LocalDimensions();
int64_t osites = grid->oSites();
Coordinate simd = grid->_simd_layout;
const int Nsimd = vobj::Nsimd();
uint64_t lwords= words; // local variable for copy in to GPU
auto blasData_p = &BLAS_V[0];
autoView( Data , vec, AcceleratorRead);
auto Data_p = &Data[0];
int64_t nwords = words;// for capture
int64_t Nt = nt;// for capture
accelerator_for(sf,osites,Nsimd,{
#ifdef GRID_SIMT
{
int lane=acceleratorSIMTlane(Nsimd); // buffer lane
#else
for(int lane=0;lane<Nsimd;lane++) {
#endif
//////////////////////////////////////////
// isite -- map lane within buffer to lane within lattice
////////////////////////////////////////////
Coordinate lcoor(nd,0);
Coordinate icoor(nd);
Coordinate ocoor(nd);
Lexicographic::CoorFromIndex(icoor,lane,simd);
Lexicographic::CoorFromIndex(ocoor,sf,rdimensions);
int64_t l_xyz = 0;
for (int d = 0; d < nd; d++) {
lcoor[d] = rdimensions[d]*icoor[d] + ocoor[d];
}
uint64_t l_t = lcoor[nd-1];
Coordinate xyz_coor = lcoor;
xyz_coor[nd-1] =0;
Lexicographic::IndexFromCoor(xyz_coor,l_xyz,ldims);
scalar_object data = extractLane(lane,Data[sf]);
scalar *data_words = (scalar *) &data;
for(int w = 0 ; w < nwords; w++) {
// BLAS_V[slice_vol][nt][words]
// Fortran Column major BLAS layout is V_(t,w)_xyz
uint64_t idx = w+l_t*nwords + l_xyz * nwords * Nt;
blasData_p[idx] = data_words[w];
}
#ifdef GRID_SIMT
}
#else
}
#endif
});
}
void ExportMomentumProjection(std::vector<typename Field::scalar_object> &projection)
{
projection.resize(nmom*nt);
acceleratorCopyFromDevice(&BLAS_P[0],(scalar *)&projection[0],BLAS_P.size()*sizeof(scalar));
// Could decide on a layout late?
}
// Row major layout "C" order:
// BLAS_V[slice_vol][nt][words]
// BLAS_M[nmom][slice_vol]
// BLAS_P[nmom][nt][words]
//
// Fortran Column major BLAS layout is V_(w,t)_xyz
// Fortran Column major BLAS layout is M_xyz,mom
// Fortran Column major BLAS layout is P_(w,t),mom
//
// Projected
//
// P = (V * M)_(w,t),mom
//
void Project(Field &data,std::vector< typename Field::scalar_object > & projected_gdata)
{
double t_import=0;
double t_export=0;
double t_gemm =0;
double t_allreduce=0;
t_import-=usecond();
this->ImportVector(data);
std::vector< typename Field::scalar_object > projected_planes;
deviceVector<scalar *> Vd(1);
deviceVector<scalar *> Md(1);
deviceVector<scalar *> Pd(1);
scalar * Vh = & BLAS_V[0];
scalar * Mh = & BLAS_M[0];
scalar * Ph = & BLAS_P[0];
acceleratorPut(Vd[0],Vh);
acceleratorPut(Md[0],Mh);
acceleratorPut(Pd[0],Ph);
t_import+=usecond();
GridBLAS BLAS;
/////////////////////////////////////////
// P_im = VMmx . Vxi
/////////////////////////////////////////
t_gemm-=usecond();
BLAS.gemmBatched(GridBLAS_OP_N,GridBLAS_OP_N,
words*nt,nmom,nxyz,
scalar(1.0),
Vd,
Md,
scalar(0.0), // wipe out result
Pd);
BLAS.synchronise();
t_gemm+=usecond();
t_export-=usecond();
ExportMomentumProjection(projected_planes); // resizes
t_export+=usecond();
/////////////////////////////////
// Reduce across MPI ranks
/////////////////////////////////
int nd = grid->Nd();
int gt = grid->GlobalDimensions()[nd-1];
int lt = grid->LocalDimensions()[nd-1];
projected_gdata.resize(gt*nmom);
for(int t=0;t<gt*nmom;t++){ // global Nt array with zeroes for stuff not on this node
projected_gdata[t]=Zero();
}
for(int t=0;t<lt;t++){
for(int m=0;m<nmom;m++){
int st = grid->LocalStarts()[nd-1];
projected_gdata[t+st + gt*m] = projected_planes[t+lt*m];
}}
t_allreduce-=usecond();
grid->GlobalSumVector((scalar *)&projected_gdata[0],gt*nmom*words);
t_allreduce+=usecond();
std::cout << GridLogPerformance<<" MomentumProject t_import "<<t_import<<"us"<<std::endl;
std::cout << GridLogPerformance<<" MomentumProject t_export "<<t_export<<"us"<<std::endl;
std::cout << GridLogPerformance<<" MomentumProject t_gemm "<<t_gemm<<"us"<<std::endl;
std::cout << GridLogPerformance<<" MomentumProject t_reduce "<<t_allreduce<<"us"<<std::endl;
}
};
NAMESPACE_END(Grid);
-156
View File
@@ -1,156 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_DEFLATION_H
#define GRID_DEFLATION_H
namespace Grid {
template<class Field>
class ZeroGuesser: public LinearFunction<Field> {
public:
using LinearFunction<Field>::operator();
virtual void operator()(const Field &src, Field &guess) { guess = Zero(); };
};
template<class Field>
class DoNothingGuesser: public LinearFunction<Field> {
public:
using LinearFunction<Field>::operator();
virtual void operator()(const Field &src, Field &guess) { };
};
template<class Field>
class SourceGuesser: public LinearFunction<Field> {
public:
using LinearFunction<Field>::operator();
virtual void operator()(const Field &src, Field &guess) { guess = src; };
};
////////////////////////////////
// Fine grid deflation
////////////////////////////////
template<class Field>
class DeflatedGuesser: public LinearFunction<Field> {
private:
const std::vector<Field> &evec;
const std::vector<RealD> &eval;
const unsigned int N;
public:
using LinearFunction<Field>::operator();
DeflatedGuesser(const std::vector<Field> & _evec,const std::vector<RealD> & _eval)
: DeflatedGuesser(_evec, _eval, _evec.size())
{}
DeflatedGuesser(const std::vector<Field> & _evec, const std::vector<RealD> & _eval, const unsigned int _N)
: evec(_evec), eval(_eval), N(_N)
{
GRID_ASSERT(evec.size()==eval.size());
GRID_ASSERT(N <= evec.size());
}
virtual void operator()(const Field &src,Field &guess) {
guess = Zero();
for (int i=0;i<N;i++) {
const Field& tmp = evec[i];
axpy(guess,TensorRemove(innerProduct(tmp,src)) / eval[i],tmp,guess);
}
guess.Checkerboard() = src.Checkerboard();
}
};
template<class FineField, class CoarseField>
class LocalCoherenceDeflatedGuesser: public LinearFunction<FineField> {
private:
const std::vector<FineField> &subspace;
const std::vector<CoarseField> &evec_coarse;
const std::vector<RealD> &eval_coarse;
public:
using LinearFunction<FineField>::operator();
LocalCoherenceDeflatedGuesser(const std::vector<FineField> &_subspace,
const std::vector<CoarseField> &_evec_coarse,
const std::vector<RealD> &_eval_coarse)
: subspace(_subspace),
evec_coarse(_evec_coarse),
eval_coarse(_eval_coarse)
{
}
void operator()(const FineField &src,FineField &guess) {
int N = (int)evec_coarse.size();
CoarseField src_coarse(evec_coarse[0].Grid());
CoarseField guess_coarse(evec_coarse[0].Grid()); guess_coarse = Zero();
blockProject(src_coarse,src,subspace);
for (int i=0;i<N;i++) {
const CoarseField & tmp = evec_coarse[i];
axpy(guess_coarse,TensorRemove(innerProduct(tmp,src_coarse)) / eval_coarse[i],tmp,guess_coarse);
}
blockPromote(guess_coarse,guess,subspace);
guess.Checkerboard() = src.Checkerboard();
};
void operator()(const std::vector<FineField> &src,std::vector<FineField> &guess) {
int Nevec = (int)evec_coarse.size();
int Nsrc = (int)src.size();
// make temp variables
std::vector<CoarseField> src_coarse(Nsrc,evec_coarse[0].Grid());
std::vector<CoarseField> guess_coarse(Nsrc,evec_coarse[0].Grid());
//Preporcessing
std::cout << GridLogMessage << "Start BlockProject for loop" << std::endl;
for (int j=0;j<Nsrc;j++)
{
guess_coarse[j] = Zero();
std::cout << GridLogMessage << "BlockProject iter: " << j << std::endl;
blockProject(src_coarse[j],src[j],subspace);
}
//deflation set up for eigen vector batchsize 1 and source batch size equal number of sources
std::cout << GridLogMessage << "Start ProjectAccum for loop" << std::endl;
for (int i=0;i<Nevec;i++)
{
std::cout << GridLogMessage << "ProjectAccum Nvec: " << i << std::endl;
const CoarseField & tmp = evec_coarse[i];
for (int j=0;j<Nsrc;j++)
{
axpy(guess_coarse[j],TensorRemove(innerProduct(tmp,src_coarse[j])) / eval_coarse[i],tmp,guess_coarse[j]);
}
}
//postprocessing
std::cout << GridLogMessage << "Start BlockPromote for loop" << std::endl;
for (int j=0;j<Nsrc;j++) {
std::cout << GridLogMessage << "BlockProject iter: " << j << std::endl;
blockPromote(guess_coarse[j],guess[j],subspace);
guess[j].Checkerboard() = src[j].Checkerboard();
}
};
};
}
#endif
@@ -1,376 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: MultiRHSBlockCGLinalg.h
Copyright (C) 2024
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
/* Need helper object for BLAS accelerated mrhs blockCG */
template<class Field>
class MultiRHSBlockCGLinalg
{
public:
typedef typename Field::scalar_type scalar;
typedef typename Field::scalar_object scalar_object;
typedef typename Field::vector_object vector_object;
deviceVector<scalar> BLAS_X; // nrhs x vol -- the sources
deviceVector<scalar> BLAS_Y; // nrhs x vol -- the result
deviceVector<scalar> BLAS_C; // nrhs x nrhs -- the coefficients
deviceVector<scalar> BLAS_Cred; // nrhs x nrhs x oSites -- reduction buffer
deviceVector<scalar *> Xdip;
deviceVector<scalar *> Ydip;
deviceVector<scalar *> Cdip;
MultiRHSBlockCGLinalg() {};
~MultiRHSBlockCGLinalg(){ Deallocate(); };
void Deallocate(void)
{
Xdip.resize(0);
Ydip.resize(0);
Cdip.resize(0);
BLAS_Cred.resize(0);
BLAS_C.resize(0);
BLAS_X.resize(0);
BLAS_Y.resize(0);
}
void MaddMatrix(std::vector<Field> &AP, Eigen::MatrixXcd &m , const std::vector<Field> &X,const std::vector<Field> &Y,RealD scale=1.0)
{
std::vector<Field> Y_copy(AP.size(),AP[0].Grid());
for(int r=0;r<AP.size();r++){
Y_copy[r] = Y[r];
}
MulMatrix(AP,m,X);
for(int r=0;r<AP.size();r++){
AP[r] = scale*AP[r]+Y_copy[r];
}
}
void MulMatrix(std::vector<Field> &Y, Eigen::MatrixXcd &m , const std::vector<Field> &X)
{
typedef typename Field::scalar_type scomplex;
GridBase *grid;
uint64_t vol;
uint64_t words;
int nrhs = Y.size();
grid = X[0].Grid();
vol = grid->lSites();
words = sizeof(scalar_object)/sizeof(scalar);
int64_t vw = vol * words;
RealD t0 = usecond();
BLAS_X.resize(nrhs * vw); // cost free if size doesn't change
BLAS_Y.resize(nrhs * vw); // cost free if size doesn't change
BLAS_C.resize(nrhs * nrhs);// cost free if size doesn't change
RealD t1 = usecond();
/////////////////////////////////////////////
// Copy in the multi-rhs sources
/////////////////////////////////////////////
for(int r=0;r<nrhs;r++){
int64_t offset = r*vw;
autoView(x_v,X[r],AcceleratorRead);
acceleratorCopyDeviceToDevice(&x_v[0],&BLAS_X[offset],sizeof(scalar_object)*vol);
}
// Assumes Eigen storage contiguous
acceleratorCopyToDevice(&m(0,0),&BLAS_C[0],BLAS_C.size()*sizeof(scalar));
/*
* in Fortran column major notation (cuBlas order)
*
* Xxr = [X1(x)][..][Xn(x)]
* Yxr = [Y1(x)][..][Ym(x)]
* Y = X . C
*/
deviceVector<scalar *> Xd(1);
deviceVector<scalar *> Yd(1);
deviceVector<scalar *> Cd(1);
scalar * Xh = & BLAS_X[0];
scalar * Yh = & BLAS_Y[0];
scalar * Ch = & BLAS_C[0];
acceleratorPut(Xd[0],Xh);
acceleratorPut(Yd[0],Yh);
acceleratorPut(Cd[0],Ch);
RealD t2 = usecond();
GridBLAS BLAS;
/////////////////////////////////////////
// Y = X*C (transpose?)
/////////////////////////////////////////
BLAS.gemmBatched(GridBLAS_OP_N,GridBLAS_OP_N,
vw,nrhs,nrhs,
scalar(1.0),
Xd,
Cd,
scalar(0.0), // wipe out Y
Yd);
BLAS.synchronise();
RealD t3 = usecond();
// Copy back Y = m X
for(int r=0;r<nrhs;r++){
int64_t offset = r*vw;
autoView(y_v,Y[r],AcceleratorWrite);
acceleratorCopyDeviceToDevice(&BLAS_Y[offset],&y_v[0],sizeof(scalar_object)*vol);
}
RealD t4 = usecond();
std::cout <<GridLogPerformance << "MulMatrix alloc took "<< t1-t0<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "MulMatrix preamble took "<< t2-t1<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "MulMatrix blas took "<< t3-t2<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "MulMatrix copy took "<< t4-t3<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "MulMatrix total "<< t4-t0<<" us"<<std::endl;
}
void InnerProductMatrix(Eigen::MatrixXcd &m , const std::vector<Field> &X, const std::vector<Field> &Y)
{
#if 0
int nrhs;
GridBase *grid;
uint64_t vol;
uint64_t words;
nrhs = X.size();
GRID_ASSERT(X.size()==Y.size());
conformable(X[0],Y[0]);
grid = X[0].Grid();
vol = grid->lSites();
words = sizeof(scalar_object)/sizeof(scalar);
int64_t vw = vol * words;
RealD t0 = usecond();
BLAS_X.resize(nrhs * vw); // cost free if size doesn't change
BLAS_Y.resize(nrhs * vw); // cost free if size doesn't change
BLAS_C.resize(nrhs * nrhs);// cost free if size doesn't change
RealD t1 = usecond();
/////////////////////////////////////////////
// Copy in the multi-rhs sources
/////////////////////////////////////////////
for(int r=0;r<nrhs;r++){
int64_t offset = r*vw;
autoView(x_v,X[r],AcceleratorRead);
acceleratorCopyDeviceToDevice(&x_v[0],&BLAS_X[offset],sizeof(scalar_object)*vol);
autoView(y_v,Y[r],AcceleratorRead);
acceleratorCopyDeviceToDevice(&y_v[0],&BLAS_Y[offset],sizeof(scalar_object)*vol);
}
RealD t2 = usecond();
/*
* in Fortran column major notation (cuBlas order)
*
* Xxr = [X1(x)][..][Xn(x)]
*
* Yxr = [Y1(x)][..][Ym(x)]
*
* C_rs = X^dag Y
*/
deviceVector<scalar *> Xd(1);
deviceVector<scalar *> Yd(1);
deviceVector<scalar *> Cd(1);
scalar * Xh = & BLAS_X[0];
scalar * Yh = & BLAS_Y[0];
scalar * Ch = & BLAS_C[0];
acceleratorPut(Xd[0],Xh);
acceleratorPut(Yd[0],Yh);
acceleratorPut(Cd[0],Ch);
GridBLAS BLAS;
RealD t3 = usecond();
/////////////////////////////////////////
// C_rs = X^dag Y
/////////////////////////////////////////
BLAS.gemmBatched(GridBLAS_OP_C,GridBLAS_OP_N,
nrhs,nrhs,vw,
ComplexD(1.0),
Xd,
Yd,
ComplexD(0.0), // wipe out C
Cd);
BLAS.synchronise();
RealD t4 = usecond();
std::vector<scalar> HOST_C(BLAS_C.size()); // nrhs . nrhs -- the coefficients
acceleratorCopyFromDevice(&BLAS_C[0],&HOST_C[0],BLAS_C.size()*sizeof(scalar));
grid->GlobalSumVector(&HOST_C[0],nrhs*nrhs);
RealD t5 = usecond();
for(int rr=0;rr<nrhs;rr++){
for(int r=0;r<nrhs;r++){
int off = r+nrhs*rr;
m(r,rr)=HOST_C[off];
}
}
RealD t6 = usecond();
uint64_t M=nrhs;
uint64_t N=nrhs;
uint64_t K=vw;
RealD bytes = 1.0*sizeof(ComplexD)*(M*N*2+N*K+M*K);
RealD flops = 8.0*M*N*K;
flops = flops/(t4-t3)/1.e3;
bytes = bytes/(t4-t3)/1.e3;
std::cout <<GridLogPerformance<< "InnerProductMatrix m,n,k "<< M<<","<<N<<","<<K<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix alloc t1 "<< t1-t0<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix cp t2 "<< t2-t1<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix setup t3 "<< t3-t2<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix blas t4 "<< t4-t3<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix blas "<< flops<<" GF/s"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix blas "<< bytes<<" GB/s"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix gsum t5 "<< t5-t4<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix cp t6 "<< t6-t5<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix took "<< t6-t0<<" us"<<std::endl;
#else
int nrhs;
GridBase *grid;
uint64_t vol;
uint64_t words;
nrhs = X.size();
GRID_ASSERT(X.size()==Y.size());
conformable(X[0],Y[0]);
grid = X[0].Grid();
int rd0 = grid->_rdimensions[0] * grid->_rdimensions[1];
vol = grid->oSites()/rd0;
words = rd0*sizeof(vector_object)/sizeof(scalar);
int64_t vw = vol * words;
GRID_ASSERT(vw == grid->lSites()*sizeof(scalar_object)/sizeof(scalar));
RealD t0 = usecond();
BLAS_X.resize(nrhs * vw); // cost free if size doesn't change
BLAS_Y.resize(nrhs * vw); // cost free if size doesn't change
BLAS_Cred.resize(nrhs * nrhs * vol);// cost free if size doesn't change
RealD t1 = usecond();
/////////////////////////////////////////////
// Copy in the multi-rhs sources -- layout batched BLAS ready
/////////////////////////////////////////////
for(int r=0;r<nrhs;r++){
autoView(x_v,X[r],AcceleratorRead);
autoView(y_v,Y[r],AcceleratorRead);
scalar *from_x=(scalar *)&x_v[0];
scalar *from_y=(scalar *)&y_v[0];
scalar *BX = &BLAS_X[0];
scalar *BY = &BLAS_Y[0];
accelerator_for(ssw,vw,1,{
uint64_t ss=ssw/words;
uint64_t w=ssw%words;
uint64_t offset = w+r*words+ss*nrhs*words; // [ss][rhs][words]
BX[offset] = from_x[ssw];
BY[offset] = from_y[ssw];
});
}
RealD t2 = usecond();
/*
* in Fortran column major notation (cuBlas order)
*
* Xxr = [X1(x)][..][Xn(x)]
*
* Yxr = [Y1(x)][..][Ym(x)]
*
* C_rs = X^dag Y
*/
Xdip.resize(vol);
Ydip.resize(vol);
Cdip.resize(vol);
std::vector<scalar *> Xh(vol);
std::vector<scalar *> Yh(vol);
std::vector<scalar *> Ch(vol);
for(uint64_t ss=0;ss<vol;ss++){
Xh[ss] = & BLAS_X[ss*nrhs*words];
Yh[ss] = & BLAS_Y[ss*nrhs*words];
Ch[ss] = & BLAS_Cred[ss*nrhs*nrhs];
}
acceleratorCopyToDevice(&Xh[0],&Xdip[0],vol*sizeof(scalar *));
acceleratorCopyToDevice(&Yh[0],&Ydip[0],vol*sizeof(scalar *));
acceleratorCopyToDevice(&Ch[0],&Cdip[0],vol*sizeof(scalar *));
GridBLAS BLAS;
RealD t3 = usecond();
/////////////////////////////////////////
// C_rs = X^dag Y
/////////////////////////////////////////
BLAS.gemmBatched(GridBLAS_OP_C,GridBLAS_OP_N,
nrhs,nrhs,words,
ComplexD(1.0),
Xdip,
Ydip,
ComplexD(0.0), // wipe out C
Cdip);
BLAS.synchronise();
RealD t4 = usecond();
std::vector<scalar> HOST_C(BLAS_Cred.size()); // nrhs . nrhs -- the coefficients
acceleratorCopyFromDevice(&BLAS_Cred[0],&HOST_C[0],BLAS_Cred.size()*sizeof(scalar));
RealD t5 = usecond();
m = Eigen::MatrixXcd::Zero(nrhs,nrhs);
for(int ss=0;ss<vol;ss++){
Eigen::Map<Eigen::MatrixXcd> eC((std::complex<double> *)&HOST_C[ss*nrhs*nrhs],nrhs,nrhs);
m = m + eC;
}
RealD t6l = usecond();
grid->GlobalSumVector((scalar *) &m(0,0),nrhs*nrhs);
RealD t6 = usecond();
uint64_t M=nrhs;
uint64_t N=nrhs;
uint64_t K=vw;
RealD xybytes = grid->lSites()*sizeof(scalar_object);
RealD bytes = 1.0*sizeof(ComplexD)*(M*N*2+N*K+M*K);
RealD flops = 8.0*M*N*K;
flops = flops/(t4-t3)/1.e3;
bytes = bytes/(t4-t3)/1.e3;
xybytes = 4*xybytes/(t2-t1)/1.e3;
std::cout <<GridLogPerformance<< "InnerProductMatrix m,n,k "<< M<<","<<N<<","<<K<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix alloc t1 "<< t1-t0<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix cp t2 "<< t2-t1<<" us "<<xybytes<<" GB/s"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix setup t3 "<< t3-t2<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix blas t4 "<< t4-t3<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix blas "<< flops<<" GF/s"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix blas "<< bytes<<" GB/s"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix cp t5 "<< t5-t4<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix lsum t6l "<< t6l-t5<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix gsum t6 "<< t6-t6l<<" us"<<std::endl;
std::cout <<GridLogPerformance<< "InnerProductMatrix took "<< t6-t0<<" us"<<std::endl;
#endif
}
};
NAMESPACE_END(Grid);
File diff suppressed because it is too large. Load diff
@@ -1,300 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: MultiRHSDeflation.h
Copyright (C) 2023
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
/* Need helper object for BLAS accelerated mrhs projection
i) MultiRHS Deflation
Import Evecs -> nev x vol x internal
Import vector of Lattice objects -> nrhs x vol x internal
=> Cij (nrhs x Nev) via GEMM.
=> Guess (nrhs x vol x internal) = C x evecs (via GEMM)
Export
ii) MultiRHS block projection
Import basis -> nblock x nbasis x (block x internal)
Import vector of fine lattice objects -> nblock x nrhs x (block x internal)
=> coarse_(nrhs x nbasis )^block = via batched GEMM
iii) Alternate interface:
Import higher dim Lattice object-> vol x nrhs layout
*/
template<class Field>
class MultiRHSDeflation
{
public:
typedef typename Field::scalar_type scalar;
typedef typename Field::scalar_object scalar_object;
typedef typename Field::vector_object vobj;
int nev;
std::vector<RealD> eval;
GridBase *grid;
uint64_t vol;
uint64_t words;
deviceVector<scalar> BLAS_E; // nev x vol -- the eigenbasis (up to a 1/sqrt(lambda))
deviceVector<scalar> BLAS_R; // nrhs x vol -- the sources
deviceVector<scalar> BLAS_G; // nrhs x vol -- the guess
deviceVector<scalar> BLAS_C; // nrhs x nev -- the coefficients
MultiRHSDeflation(){};
~MultiRHSDeflation(){ Deallocate(); };
void Deallocate(void)
{
nev=0;
grid=nullptr;
vol=0;
words=0;
// deviceVector is a std::vector with a device allocator: resize(0) drops
// the size and keeps the capacity, returning no device memory. Swapping
// with an empty vector destroys the buffer.
deviceVector<scalar>().swap(BLAS_E);
deviceVector<scalar>().swap(BLAS_R);
deviceVector<scalar>().swap(BLAS_C);
deviceVector<scalar>().swap(BLAS_G);
}
// Resident (non-evictable) device memory held by this deflator.
uint64_t DeviceBytes(void)
{
return (BLAS_E.capacity()+BLAS_R.capacity()+BLAS_C.capacity()+BLAS_G.capacity())*sizeof(scalar);
}
void Allocate(int _nev,GridBase *_grid)
{
nev=_nev;
grid=_grid;
vol = grid->lSites();
words = sizeof(scalar_object)/sizeof(scalar);
eval.resize(nev);
BLAS_E.resize (vol * words * nev );
std::cout << GridLogMessage << " Allocate for "<<nev<<" eigenvectors and volume "<<vol<<std::endl;
}
void ImportEigenVector(Field &evec,RealD &_eval, int ev)
{
// std::cout << " ev " <<ev<<" eval "<<_eval<< std::endl;
GRID_ASSERT(ev<eval.size());
eval[ev] = _eval;
int64_t offset = ev*vol*words;
autoView(v,evec,AcceleratorRead);
acceleratorCopyDeviceToDevice(&v[0],&BLAS_E[offset],sizeof(scalar_object)*vol);
}
void ImportEigenBasis(std::vector<Field> &evec,std::vector<RealD> &_eval)
{
ImportEigenBasis(evec,_eval,0,evec.size());
}
// Could use to import a batch of eigenvectors
void ImportEigenBasis(std::vector<Field> &evec,std::vector<RealD> &_eval, int _ev0, int _nev)
{
GRID_ASSERT(_ev0+_nev<=evec.size());
Allocate(_nev,evec[0].Grid());
// Imports a sub-batch of eigenvectors, _ev0, ..., _ev0+_nev-1
for(int e=0;e<nev;e++){
std::cout << "Importing eigenvector "<<e<<" evalue "<<_eval[_ev0+e]<<std::endl;
ImportEigenVector(evec[_ev0+e],_eval[_ev0+e],e);
}
}
/////////////////////////////////////////////////////////////////////////
// Sources as a vector of D-dimensional fields: each is one contiguous
// column of BLAS_R already, so import/export are straight copies.
// The eigenvectors may live on a D grid or on the Nrhs=1 D+1 grid of the
// same local volume; the two are the same bytes, so only the site count
// is checked, not grid identity.
/////////////////////////////////////////////////////////////////////////
void DeflateSources(std::vector<Field> &source,std::vector<Field> & guess)
{
int nrhs = source.size();
GRID_ASSERT(source.size()==guess.size());
GRID_ASSERT(grid->lSites() == guess[0].Grid()->lSites());
conformable(guess[0],source[0]);
int64_t vw = vol * words;
BLAS_R.resize(nrhs * vw); // cost free if size doesn't change
BLAS_G.resize(nrhs * vw); // cost free if size doesn't change
BLAS_C.resize(nev * nrhs);// cost free if size doesn't change
for(int r=0;r<nrhs;r++){
int64_t offset = r*vw;
autoView(v,source[r],AcceleratorRead);
acceleratorCopyDeviceToDevice(&v[0],&BLAS_R[offset],sizeof(scalar_object)*vol);
}
DeflateBLAS(nrhs);
for(int r=0;r<nrhs;r++){
int64_t offset = r*vw;
autoView(v,guess[r],AcceleratorWrite);
acceleratorCopyDeviceToDevice(&BLAS_G[offset],&v[0],sizeof(scalar_object)*vol);
}
}
/////////////////////////////////////////////////////////////////////////
// Sources as ONE D+1 dimensional multiRHS field, rhs innermost
// (dimension 0, undistributed) on an UNVECTORISED coarse space, so the
// site index is rhs + nrhs*x with x the D-dimensional site. The GEMM
// wants x contiguous per rhs, so the import is a permutation, one fused
// pass over the field; likewise the export. No slices.
/////////////////////////////////////////////////////////////////////////
void DeflateSources(const Field &source_mrhs, Field &guess_mrhs)
{
conformable(source_mrhs,guess_mrhs);
GridBase *hi = source_mrhs.Grid();
GRID_ASSERT(hi->_ndimension == grid->_ndimension+1);
GRID_ASSERT(hi->_processors[0] == 1);
GRID_ASSERT(hi->_simd_layout[0]== 1);
GRID_ASSERT(vobj::Nsimd() == 1);
int nrhs = hi->_fdimensions[0];
GRID_ASSERT(hi->lSites() == nrhs*vol);
int64_t vw = vol * words;
BLAS_R.resize(nrhs * vw);
BLAS_G.resize(nrhs * vw);
BLAS_C.resize(nev * nrhs);
ImportSourcesMrhs(source_mrhs,nrhs);
DeflateBLAS(nrhs);
ExportGuessMrhs(guess_mrhs,nrhs);
}
void ImportSourcesMrhs(const Field &source_mrhs,int nrhs)
{
const int64_t lwords = words, lnrhs = nrhs, vw = vol*words;
autoView(v,source_mrhs,AcceleratorRead);
auto vp = &v[0];
scalar *R = &BLAS_R[0];
accelerator_for(scr, lnrhs*vol, 1, {
int64_t r = scr % lnrhs;
int64_t x = scr / lnrhs;
const scalar *s = (const scalar *)&vp[scr];
for(int64_t w=0;w<lwords;w++) R[r*vw + x*lwords + w] = s[w];
});
}
void ExportGuessMrhs(Field &guess_mrhs,int nrhs)
{
const int64_t lwords = words, lnrhs = nrhs, vw = vol*words;
autoView(v,guess_mrhs,AcceleratorWrite);
auto vp = &v[0];
scalar *G = &BLAS_G[0];
accelerator_for(scr, lnrhs*vol, 1, {
int64_t r = scr % lnrhs;
int64_t x = scr / lnrhs;
scalar *g = (scalar *)&vp[scr];
for(int64_t w=0;w<lwords;w++) g[w] = G[r*vw + x*lwords + w];
});
}
/////////////////////////////////////////////////////////////////////////
// BLAS_R (nrhs columns of vol*words) -> BLAS_G, through the imported
// eigenbasis: C = E^dag R / lambda, G = E C.
/////////////////////////////////////////////////////////////////////////
void DeflateBLAS(int nrhs)
{
int64_t vw = vol * words;
RealD t0 = usecond();
/*
* in Fortran column major notation (cuBlas order)
*
* Exe = [e1(x)][..][en(x)]
*
* Rxr = [r1(x)][..][rm(x)]
*
* C_er = E^dag R
* C_er = C_er / lambda_e
* G_xr = Exe Cer
*/
deviceVector<scalar *> Ed(1);
deviceVector<scalar *> Rd(1);
deviceVector<scalar *> Cd(1);
deviceVector<scalar *> Gd(1);
scalar * Eh = & BLAS_E[0];
scalar * Rh = & BLAS_R[0];
scalar * Ch = & BLAS_C[0];
scalar * Gh = & BLAS_G[0];
acceleratorPut(Ed[0],Eh);
acceleratorPut(Rd[0],Rh);
acceleratorPut(Cd[0],Ch);
acceleratorPut(Gd[0],Gh);
GridBLAS BLAS;
/////////////////////////////////////////
// C_er = E^dag R
/////////////////////////////////////////
BLAS.gemmBatched(GridBLAS_OP_C,GridBLAS_OP_N,
nev,nrhs,vw,
scalar(1.0),
Ed,
Rd,
scalar(0.0), // wipe out C
Cd);
BLAS.synchronise();
GRID_ASSERT(BLAS_C.size()==nev*nrhs);
std::vector<scalar> HOST_C(BLAS_C.size()); // nrhs . nev -- the coefficients
acceleratorCopyFromDevice(&BLAS_C[0],&HOST_C[0],BLAS_C.size()*sizeof(scalar));
grid->GlobalSumVector(&HOST_C[0],nev*nrhs);
for(int e=0;e<nev;e++){
scalar lam(1.0/eval[e]); // in the coarse scalar: fp32 coarse spaces too
for(int r=0;r<nrhs;r++){
int off = e+nev*r;
HOST_C[off]=HOST_C[off] * lam;
// std::cout << "C["<<e<<"]["<<r<<"] ="<<HOST_C[off]<< " eval[e] "<<eval[e] <<std::endl;
}
}
acceleratorCopyToDevice(&HOST_C[0],&BLAS_C[0],BLAS_C.size()*sizeof(scalar));
/////////////////////////////////////////
// Guess G_xr = Exe Cer
/////////////////////////////////////////
BLAS.gemmBatched(GridBLAS_OP_N,GridBLAS_OP_N,
vw,nrhs,nev,
scalar(1.0),
Ed, // x . nev
Cd, // nev . nrhs
scalar(0.0),
Gd);
BLAS.synchronise();
RealD t1 = usecond();
std::cout << GridLogMessage << "MultiRHSDeflation for "<<nrhs<<" sources with "<<nev<<" eigenvectors took " << (t1-t0)/1e3 <<" ms"<<std::endl;
}
};
NAMESPACE_END(Grid);
-542
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@@ -1,542 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/AdefGeneric.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_ALGORITHMS_ITERATIVE_GENERIC_PCG
#define GRID_ALGORITHMS_ITERATIVE_GENERIC_PCG
/*
* Compared to Tang-2009: P=Pleft. P^T = PRight Q=MssInv.
* Script A = SolverMatrix
* Script P = Preconditioner
*
* Implement ADEF-2
*
* Vstart = P^Tx + Qb
* M1 = P^TM + Q
* M2=M3=1
*/
NAMESPACE_BEGIN(Grid);
template<class Field>
class TwoLevelCG : public LinearFunction<Field>
{
public:
RealD Tolerance;
Integer MaxIterations;
GridBase *grid;
// Fine operator, Smoother, CoarseSolver
LinearOperatorBase<Field> &_FineLinop;
LinearFunction<Field> &_Smoother;
GridStopWatch ProjectTimer;
GridStopWatch PromoteTimer;
GridStopWatch CoarseTimer;
GridStopWatch SmoothTimer;
GridStopWatch MatrixTimer;
GridStopWatch M3Timer;
GridStopWatch LinalgTimer;
int64_t M3Calls;
int64_t SmoothCalls;
int64_t MatrixCalls;
int64_t ProjectCalls;
int64_t CoarseCalls;
int64_t PromoteCalls;
// more most opertor functions
TwoLevelCG(RealD tol,
Integer maxit,
LinearOperatorBase<Field> &FineLinop,
LinearFunction<Field> &Smoother,
GridBase *fine) :
Tolerance(tol),
MaxIterations(maxit),
_FineLinop(FineLinop),
_Smoother(Smoother)
{
grid = fine;
};
virtual void operator() (const Field &src, Field &x)
{
std::cout << GridLogMessage<<"HDCG: fPcg starting single RHS"<<std::endl;
RealD f;
RealD rtzp,rtz,a,d,b;
RealD rptzp;
/////////////////////////////
// Set up history vectors
/////////////////////////////
int mmax = 5;
std::cout << GridLogMessage<<"HDCG: fPcg allocating"<<std::endl;
std::vector<Field> p(mmax,grid);
std::vector<Field> mmp(mmax,grid);
std::vector<RealD> pAp(mmax);
Field z(grid);
Field tmp(grid);
Field mp (grid);
Field r (grid);
Field mu (grid);
std::cout << GridLogMessage<<"HDCG: fPcg allocated"<<std::endl;
//Initial residual computation & set up
RealD guess = norm2(x);
std::cout << GridLogMessage<<"HDCG: fPcg guess nrm "<<guess<<std::endl;
RealD src_nrm = norm2(src);
std::cout << GridLogMessage<<"HDCG: fPcg src nrm "<<src_nrm<<std::endl;
if ( src_nrm == 0.0 ) {
std::cout << GridLogMessage<<"HDCG: fPcg given trivial source norm "<<src_nrm<<std::endl;
x=Zero();
}
RealD tn;
GridStopWatch HDCGTimer;
ProjectTimer.Reset();
PromoteTimer.Reset();
CoarseTimer.Reset();
SmoothTimer.Reset();
MatrixTimer.Reset();
M3Timer.Reset();
LinalgTimer.Reset();
M3Calls = SmoothCalls = MatrixCalls = ProjectCalls = CoarseCalls = PromoteCalls = 0;
HDCGTimer.Start();
//////////////////////////
// x0 = Vstart -- possibly modify guess
//////////////////////////
Vstart(x,src);
// r0 = b -A x0
_FineLinop.HermOp(x,mmp[0]);
axpy (r, -1.0,mmp[0], src); // Recomputes r=src-Ax0
{
double n1 = norm2(x);
double n2 = norm2(mmp[0]);
double n3 = norm2(r);
std::cout<<GridLogMessage<<"x,vstart,r = "<<n1<<" "<<n2<<" "<<n3<<std::endl;
}
//////////////////////////////////
// Compute z = M1 x
//////////////////////////////////
PcgM1(r,z);
rtzp =real(innerProduct(r,z));
///////////////////////////////////////
// Solve for Mss mu = P A z and set p = z-mu
// Def2 p = 1 - Q Az = Pright z
// Other algos M2 is trivial
///////////////////////////////////////
PcgM2(z,p[0]);
RealD ssq = norm2(src);
RealD rsq = ssq*Tolerance*Tolerance;
std::cout << GridLogMessage<<"HDCG: k=0 residual "<<rtzp<<" rsq "<<rsq<<"\n";
Field pp(grid);
for (int k=0;k<=MaxIterations;k++){
int peri_k = k % mmax;
int peri_kp = (k+1) % mmax;
rtz=rtzp;
M3Timer.Start();
d= PcgM3(p[peri_k],mmp[peri_k]);
M3Timer.Stop();
M3Calls++;
a = rtz/d;
// Memorise this
pAp[peri_k] = d;
LinalgTimer.Start();
axpy(x,a,p[peri_k],x);
RealD rn = axpy_norm(r,-a,mmp[peri_k],r);
LinalgTimer.Stop();
// Compute z = M x
PcgM1(r,z);
{
RealD n1,n2;
n1=norm2(r);
n2=norm2(z);
std::cout << GridLogMessage<<"HDCG::fPcg iteration "<<k<<" : vector r,z "<<n1<<" "<<n2<<"\n";
}
LinalgTimer.Start();
rtzp =real(innerProduct(r,z));
LinalgTimer.Stop();
std::cout << GridLogMessage<<"HDCG::fPcg iteration "<<k<<" : inner rtzp "<<rtzp<<"\n";
// PcgM2(z,p[0]);
PcgM2(z,mu); // ADEF-2 this is identity. Axpy possible to eliminate
p[peri_kp]=mu;
// Standard search direction p -> z + b p
b = (rtzp)/rtz;
int northog;
// k=zero <=> peri_kp=1; northog = 1
// k=1 <=> peri_kp=2; northog = 2
// ... ... ...
// k=mmax-2<=> peri_kp=mmax-1; northog = mmax-1
// k=mmax-1<=> peri_kp=0; northog = 1
// northog = (peri_kp==0)?1:peri_kp; // This is the fCG(mmax) algorithm
northog = (k>mmax-1)?(mmax-1):k; // This is the fCG-Tr(mmax-1) algorithm
std::cout<<GridLogMessage<<"HDCG::fPcg iteration "<<k<<" : orthogonalising to last "<<northog<<" vectors\n";
for(int back=0; back < northog; back++){
int peri_back = (k-back)%mmax;
RealD pbApk= real(innerProduct(mmp[peri_back],p[peri_kp]));
RealD beta = -pbApk/pAp[peri_back];
axpy(p[peri_kp],beta,p[peri_back],p[peri_kp]);
}
RealD rrn=sqrt(rn/ssq);
RealD rtn=sqrt(rtz/ssq);
RealD rtnp=sqrt(rtzp/ssq);
std::cout<<GridLogMessage<<"HDCG: fPcg k= "<<k<<" residual = "<<rrn<<"\n";
// Stopping condition
if ( rn <= rsq ) {
HDCGTimer.Stop();
std::cout<<GridLogMessage<<"HDCG: fPcg converged in "<<k<<" iterations and "<<HDCGTimer.Elapsed()<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg breakdown"<<std::endl;
auto mspc = [](GridStopWatch &sw, int64_t n) -> double {
return (n > 0) ? sw.useconds() * 1e-3 / n : 0.0;
};
std::cout<<GridLogMessage<<"HDCG: fPcg M3 (fine MVM) "<<M3Timer.Elapsed()
<<" "<<M3Calls<<" calls "<<mspc(M3Timer,M3Calls)<<" ms/call"<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg linalg "<<LinalgTimer.Elapsed()<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg smoother "<<SmoothTimer.Elapsed()
<<" "<<SmoothCalls<<" calls "<<mspc(SmoothTimer,SmoothCalls)<<" ms/call"<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg matrix (in M1) "<<MatrixTimer.Elapsed()
<<" "<<MatrixCalls<<" calls "<<mspc(MatrixTimer,MatrixCalls)<<" ms/call"<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg project "<<ProjectTimer.Elapsed()
<<" "<<ProjectCalls<<" calls "<<mspc(ProjectTimer,ProjectCalls)<<" ms/call"<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg coarse "<<CoarseTimer.Elapsed()
<<" "<<CoarseCalls<<" calls "<<mspc(CoarseTimer,CoarseCalls)<<" ms/call"<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg promote "<<PromoteTimer.Elapsed()
<<" "<<PromoteCalls<<" calls "<<mspc(PromoteTimer,PromoteCalls)<<" ms/call"<<std::endl;
_FineLinop.HermOp(x,mmp[0]);
axpy(tmp,-1.0,src,mmp[0]);
RealD mmpnorm = sqrt(norm2(mmp[0]));
RealD xnorm = sqrt(norm2(x));
RealD srcnorm = sqrt(norm2(src));
RealD tmpnorm = sqrt(norm2(tmp));
RealD true_residual = tmpnorm/srcnorm;
std::cout<<GridLogMessage
<<"HDCG: true residual is "<<true_residual
<<" solution "<<xnorm
<<" source "<<srcnorm
<<" mmp "<<mmpnorm
<<std::endl;
return;
}
}
HDCGTimer.Stop();
std::cout<<GridLogMessage<<"HDCG: not converged "<<HDCGTimer.Elapsed()<<std::endl;
RealD xnorm = sqrt(norm2(x));
RealD srcnorm = sqrt(norm2(src));
std::cout<<GridLogMessage<<"HDCG: non-converged solution "<<xnorm<<" source "<<srcnorm<<std::endl;
}
virtual void operator() (std::vector<Field> &src, std::vector<Field> &x)
{
std::cout << GridLogMessage<<"HDCG: mrhs fPcg starting"<<std::endl;
src[0].Grid()->Barrier();
int nrhs = src.size();
std::vector<RealD> f(nrhs);
std::vector<RealD> rtzp(nrhs);
std::vector<RealD> rtz(nrhs);
std::vector<RealD> a(nrhs);
std::vector<RealD> d(nrhs);
std::vector<RealD> b(nrhs);
std::vector<RealD> rptzp(nrhs);
/////////////////////////////
// Set up history vectors
/////////////////////////////
int mmax = 3;
std::cout << GridLogMessage<<"HDCG: fPcg allocating"<<std::endl;
src[0].Grid()->Barrier();
std::vector<std::vector<Field> > p(nrhs); for(int r=0;r<nrhs;r++) p[r].resize(mmax,grid);
std::cout << GridLogMessage<<"HDCG: fPcg allocated p"<<std::endl;
src[0].Grid()->Barrier();
std::vector<std::vector<Field> > mmp(nrhs); for(int r=0;r<nrhs;r++) mmp[r].resize(mmax,grid);
std::cout << GridLogMessage<<"HDCG: fPcg allocated mmp"<<std::endl;
src[0].Grid()->Barrier();
std::vector<std::vector<RealD> > pAp(nrhs); for(int r=0;r<nrhs;r++) pAp[r].resize(mmax);
std::cout << GridLogMessage<<"HDCG: fPcg allocated pAp"<<std::endl;
src[0].Grid()->Barrier();
std::vector<Field> z(nrhs,grid);
std::vector<Field> mp (nrhs,grid);
std::vector<Field> r (nrhs,grid);
std::vector<Field> mu (nrhs,grid);
std::cout << GridLogMessage<<"HDCG: fPcg allocated z,mp,r,mu"<<std::endl;
src[0].Grid()->Barrier();
//Initial residual computation & set up
std::vector<RealD> src_nrm(nrhs);
for(int rhs=0;rhs<nrhs;rhs++) {
src_nrm[rhs]=norm2(src[rhs]);
GRID_ASSERT(src_nrm[rhs]!=0.0);
}
std::vector<RealD> tn(nrhs);
GridStopWatch HDCGTimer;
HDCGTimer.Start();
//////////////////////////
// x0 = Vstart -- possibly modify guess
//////////////////////////
Vstart(x,src);
for(int rhs=0;rhs<nrhs;rhs++){
// r0 = b -A x0
_FineLinop.HermOp(x[rhs],mmp[rhs][0]);
axpy (r[rhs], -1.0,mmp[rhs][0], src[rhs]); // Recomputes r=src-Ax0
}
//////////////////////////////////
// Compute z = M1 x
//////////////////////////////////
// This needs a multiRHS version for acceleration
PcgM1(r,z);
std::vector<RealD> ssq(nrhs);
std::vector<RealD> rsq(nrhs);
std::vector<Field> pp(nrhs,grid);
for(int rhs=0;rhs<nrhs;rhs++){
rtzp[rhs] =real(innerProduct(r[rhs],z[rhs]));
p[rhs][0]=z[rhs];
ssq[rhs]=norm2(src[rhs]);
rsq[rhs]= ssq[rhs]*Tolerance*Tolerance;
std::cout << GridLogMessage<<"mrhs HDCG: "<<rhs<<" k=0 residual "<<rtzp[rhs]<<" rsq "<<rsq[rhs]<<"\n";
}
std::vector<RealD> rn(nrhs);
for (int k=0;k<=MaxIterations;k++){
int peri_k = k % mmax;
int peri_kp = (k+1) % mmax;
for(int rhs=0;rhs<nrhs;rhs++){
rtz[rhs]=rtzp[rhs];
d[rhs]= PcgM3(p[rhs][peri_k],mmp[rhs][peri_k]);
a[rhs] = rtz[rhs]/d[rhs];
// Memorise this
pAp[rhs][peri_k] = d[rhs];
axpy(x[rhs],a[rhs],p[rhs][peri_k],x[rhs]);
rn[rhs] = axpy_norm(r[rhs],-a[rhs],mmp[rhs][peri_k],r[rhs]);
}
// Compute z = M x (for *all* RHS)
PcgM1(r,z);
std::cout << GridLogMessage<<"HDCG::fPcg M1 complete"<<std::endl;
grid->Barrier();
RealD max_rn=0.0;
for(int rhs=0;rhs<nrhs;rhs++){
rtzp[rhs] =real(innerProduct(r[rhs],z[rhs]));
std::cout << GridLogMessage<<"HDCG::fPcg rhs"<<rhs<<" iteration "<<k<<" : inner rtzp "<<rtzp[rhs]<<"\n";
mu[rhs]=z[rhs];
p[rhs][peri_kp]=mu[rhs];
// Standard search direction p == z + b p
b[rhs] = (rtzp[rhs])/rtz[rhs];
int northog = (k>mmax-1)?(mmax-1):k; // This is the fCG-Tr(mmax-1) algorithm
std::cout<<GridLogMessage<<"HDCG::fPcg iteration "<<k<<" : orthogonalising to last "<<northog<<" vectors\n";
for(int back=0; back < northog; back++){
int peri_back = (k-back)%mmax;
RealD pbApk= real(innerProduct(mmp[rhs][peri_back],p[rhs][peri_kp]));
RealD beta = -pbApk/pAp[rhs][peri_back];
axpy(p[rhs][peri_kp],beta,p[rhs][peri_back],p[rhs][peri_kp]);
}
RealD rrn=sqrt(rn[rhs]/ssq[rhs]);
RealD rtn=sqrt(rtz[rhs]/ssq[rhs]);
RealD rtnp=sqrt(rtzp[rhs]/ssq[rhs]);
std::cout<<GridLogMessage<<"HDCG: rhs "<<rhs<<"fPcg k= "<<k<<" residual = "<<rrn<<"\n";
if ( rrn > max_rn ) max_rn = rrn;
}
// Stopping condition based on worst case
if ( max_rn <= Tolerance ) {
HDCGTimer.Stop();
std::cout<<GridLogMessage<<"HDCG: mrhs fPcg converged in "<<k<<" iterations and "<<HDCGTimer.Elapsed()<<std::endl;;
for(int rhs=0;rhs<nrhs;rhs++){
_FineLinop.HermOp(x[rhs],mmp[rhs][0]);
Field tmp(grid);
axpy(tmp,-1.0,src[rhs],mmp[rhs][0]);
RealD mmpnorm = sqrt(norm2(mmp[rhs][0]));
RealD xnorm = sqrt(norm2(x[rhs]));
RealD srcnorm = sqrt(norm2(src[rhs]));
RealD tmpnorm = sqrt(norm2(tmp));
RealD true_residual = tmpnorm/srcnorm;
std::cout<<GridLogMessage
<<"HDCG: true residual ["<<rhs<<"] is "<<true_residual
<<" solution "<<xnorm
<<" source "<<srcnorm
<<" mmp "<<mmpnorm
<<std::endl;
}
return;
}
}
HDCGTimer.Stop();
std::cout<<GridLogMessage<<"HDCG: not converged "<<HDCGTimer.Elapsed()<<std::endl;
for(int rhs=0;rhs<nrhs;rhs++){
RealD xnorm = sqrt(norm2(x[rhs]));
RealD srcnorm = sqrt(norm2(src[rhs]));
std::cout<<GridLogMessage<<"HDCG: non-converged solution "<<xnorm<<" source "<<srcnorm<<std::endl;
}
}
public:
virtual void PcgM1(std::vector<Field> & in,std::vector<Field> & out)
{
std::cout << "PcgM1 default (cheat) mrhs version"<<std::endl;
for(int rhs=0;rhs<in.size();rhs++){
this->PcgM1(in[rhs],out[rhs]);
}
}
virtual void PcgM1(Field & in, Field & out) =0;
virtual void Vstart(std::vector<Field> & x,std::vector<Field> & src)
{
std::cout << "Vstart default (cheat) mrhs version"<<std::endl;
for(int rhs=0;rhs<x.size();rhs++){
this->Vstart(x[rhs],src[rhs]);
}
}
virtual void Vstart(Field & x,const Field & src)=0;
virtual void PcgM2(const Field & in, Field & out) {
out=in;
}
virtual RealD PcgM3(const Field & p, Field & mmp){
RealD dd;
_FineLinop.HermOp(p,mmp);
ComplexD dot = innerProduct(p,mmp);
dd=real(dot);
return dd;
}
/////////////////////////////////////////////////////////////////////
// Only Def1 has non-trivial Vout.
/////////////////////////////////////////////////////////////////////
};
template<class Field>
class TwoLevelADEF1defl : public TwoLevelCG<Field>
{
public:
const std::vector<Field> &evec;
const std::vector<RealD> &eval;
TwoLevelADEF1defl(RealD tol,
Integer maxit,
LinearOperatorBase<Field> &FineLinop,
LinearFunction<Field> &Smoother,
std::vector<Field> &_evec,
std::vector<RealD> &_eval) :
TwoLevelCG<Field>(tol,maxit,FineLinop,Smoother,_evec[0].Grid()),
evec(_evec),
eval(_eval)
{};
// Can just inherit existing M2
// Can just inherit existing M3
// Simple vstart - do nothing
virtual void Vstart(Field & x,const Field & src){
x=src; // Could apply Q
};
// Override PcgM1
virtual void PcgM1(Field & in, Field & out)
{
GRID_TRACE("EvecPreconditioner ");
int N=evec.size();
Field Pin(this->grid);
Field Qin(this->grid);
//MP + Q = M(1-AQ) + Q = M
// // If we are eigenvector deflating in coarse space
// // Q = Sum_i |phi_i> 1/lambda_i <phi_i|
// // A Q = Sum_i |phi_i> <phi_i|
// // M(1-AQ) = M(1-proj) + Q
Qin.Checkerboard()=in.Checkerboard();
Qin = Zero();
Pin = in;
for (int i=0;i<N;i++) {
const Field& tmp = evec[i];
auto ip = TensorRemove(innerProduct(tmp,in));
axpy(Qin, ip / eval[i],tmp,Qin);
axpy(Pin, -ip ,tmp,Pin);
}
this->_Smoother(Pin,out);
out = out + Qin;
}
};
NAMESPACE_END(Grid);
#endif
-660
View File
@@ -1,660 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/AdefGeneric.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/multigrid/MrhsPreconditioner.h>
/*
* Compared to Tang-2009: P=Pleft. P^T = PRight Q=MssInv.
* Script A = SolverMatrix
* Script P = Preconditioner
*
* Implement ADEF-2
*
* Vstart = P^Tx + Qb
* M1 = P^TM + Q
* M2=M3=1
*/
NAMESPACE_BEGIN(Grid);
//////////////////////////////////////////////////////////////////////
// Two-level CG family on a vector of right-hand sides, with the
// preconditioner (M1 and Vstart) as an MrhsPreconditioner object:
// fPcg flexible PCG, one Krylov per rhs, shared M1 call
// PrecBlockCGrQ preconditioned BlockCGrQ (arXiv:2409.03904 s2.2);
// assumes a stationary preconditioner; not the
// production choice (its linalg grows as nrhs^2)
// Also a LinearFunction<Field>: one rhs is the nrhs=1 case.
//////////////////////////////////////////////////////////////////////
enum class MrhsCGAlgorithm { fPcg, PrecBlockCGrQ };
template<class Field>
class TwoLevelCGmrhs : public LinearFunction<Field>
{
public:
using LinearFunction<Field>::operator();
RealD Tolerance;
Integer MaxIterations;
GridBase *grid;
MrhsCGAlgorithm Algorithm;
LinearOperatorBase<Field> &_FineLinop;
MrhsPreconditioner<Field> &_Precon;
MultiRHSBlockCGLinalg<Field> _BlockCGLinalg;
TwoLevelCGmrhs(RealD tol,
Integer maxit,
LinearOperatorBase<Field> &FineLinop,
MrhsPreconditioner<Field> &Precon,
GridBase *fine,
MrhsCGAlgorithm alg = MrhsCGAlgorithm::fPcg) :
Tolerance(tol),
MaxIterations(maxit),
Algorithm(alg),
_FineLinop(FineLinop),
_Precon(Precon)
{
grid = fine;
};
// mrhs entry point
virtual void operator() (std::vector<Field> &src, std::vector<Field> &x)
{
if ( Algorithm == MrhsCGAlgorithm::PrecBlockCGrQ ) SolvePrecBlockCG(src,x);
else SolveSingleSystem(src,x);
}
// LinearFunction entry points
virtual void operator() (const Field &src, Field &x)
{
std::vector<Field> S(1,src);
std::vector<Field> X(1,x);
(*this)(S,X);
x = X[0];
}
virtual void operator() (const std::vector<Field> &src, std::vector<Field> &x)
{
std::vector<Field> S(src);
(*this)(S,x);
}
////////////////////////////////////////////////////////////////////////////////////////////////////
// Thin QR factorisation (google it)
////////////////////////////////////////////////////////////////////////////////////////////////////
////////////////////////////////////////////////////////////////////////////////////////////////////
//Dimensions
// R_{ferm x Nblock} = Q_{ferm x Nblock} x C_{Nblock x Nblock} -> ferm x Nblock
//
// Rdag R = m_rr = Herm = L L^dag <-- Cholesky decomposition (LLT routine in Eigen)
//
// Q C = R => Q = R C^{-1}
//
// Want Ident = Q^dag Q = C^{-dag} R^dag R C^{-1} = C^{-dag} L L^dag C^{-1} = 1_{Nblock x Nblock}
//
// Set C = L^{dag}, and then Q^dag Q = ident
//
// Checks:
// Cdag C = Rdag R ; passes.
// QdagQ = 1 ; passes
////////////////////////////////////////////////////////////////////////////////////////////////////
void ThinQRfact (Eigen::MatrixXcd &m_zz,
Eigen::MatrixXcd &C,
Eigen::MatrixXcd &Cinv,
std::vector<Field> & Q,
std::vector<Field> & MQ,
const std::vector<Field> & Z,
const std::vector<Field> & MZ)
{
RealD t0=usecond();
_BlockCGLinalg.InnerProductMatrix(m_zz,MZ,Z);
RealD t1=usecond();
m_zz = 0.5*(m_zz+m_zz.adjoint());
Eigen::MatrixXcd L = m_zz.llt().matrixL();
C = L.adjoint();
Cinv = C.inverse();
RealD t3=usecond();
_BlockCGLinalg.MulMatrix( Q,Cinv,Z);
_BlockCGLinalg.MulMatrix(MQ,Cinv,MZ);
RealD t4=usecond();
std::cout << " ThinQRfact IP :"<< t1-t0<<" us"<<std::endl;
std::cout << " ThinQRfact Eigen :"<< t3-t1<<" us"<<std::endl;
std::cout << " ThinQRfact MulMat:"<< t4-t3<<" us"<<std::endl;
}
virtual void SolvePrecBlockCG (std::vector<Field> &src, std::vector<Field> &X)
{
std::cout << GridLogMessage<<"HDCG: mrhs fPrecBlockcg starting"<<std::endl;
src[0].Grid()->Barrier();
int nrhs = src.size();
// std::vector<RealD> f(nrhs);
// std::vector<RealD> rtzp(nrhs);
// std::vector<RealD> rtz(nrhs);
// std::vector<RealD> a(nrhs);
// std::vector<RealD> d(nrhs);
// std::vector<RealD> b(nrhs);
// std::vector<RealD> rptzp(nrhs);
////////////////////////////////////////////
//Initial residual computation & set up
////////////////////////////////////////////
std::vector<RealD> ssq(nrhs);
for(int rhs=0;rhs<nrhs;rhs++){
ssq[rhs]=norm2(src[rhs]); GRID_ASSERT(ssq[rhs]!=0.0);
}
///////////////////////////
// Fields -- eliminate duplicates between fPcg and block cg
///////////////////////////
std::vector<Field> Mtmp(nrhs,grid);
std::vector<Field> tmp(nrhs,grid);
std::vector<Field> Z(nrhs,grid); // Rename Z to R
std::vector<Field> MZ(nrhs,grid); // Rename MZ to Z
std::vector<Field> Q(nrhs,grid); //
std::vector<Field> MQ(nrhs,grid); // Rename to P
std::vector<Field> D(nrhs,grid);
std::vector<Field> AD(nrhs,grid);
/************************************************************************
* Preconditioned Block conjugate gradient rQ
* Generalise Sebastien Birk Thesis, after Dubrulle 2001.
* Introduce preconditioning following Saad Ch9
************************************************************************
* Dimensions:
*
* X,B etc... ==(Nferm x nrhs)
* Matrix A==(Nferm x Nferm)
*
* Nferm = Nspin x Ncolour x Ncomplex x Nlattice_site
* QC => Thin QR factorisation (google it)
*
* R = B-AX
* Z = Mi R
* QC = Z
* D = Q
* for k:
* R = AD
* Z = Mi R
* M = [D^dag R]^{-1}
* X = X + D M C
* QS = Q - Z.M
* D = Q + D S^dag
* C = S C
*/
Eigen::MatrixXcd m_DZ = Eigen::MatrixXcd::Identity(nrhs,nrhs);
Eigen::MatrixXcd m_M = Eigen::MatrixXcd::Identity(nrhs,nrhs);
Eigen::MatrixXcd m_zz = Eigen::MatrixXcd::Zero(nrhs,nrhs);
Eigen::MatrixXcd m_rr = Eigen::MatrixXcd::Zero(nrhs,nrhs);
Eigen::MatrixXcd m_C = Eigen::MatrixXcd::Zero(nrhs,nrhs);
Eigen::MatrixXcd m_Cinv = Eigen::MatrixXcd::Zero(nrhs,nrhs);
Eigen::MatrixXcd m_S = Eigen::MatrixXcd::Zero(nrhs,nrhs);
Eigen::MatrixXcd m_Sinv = Eigen::MatrixXcd::Zero(nrhs,nrhs);
Eigen::MatrixXcd m_tmp = Eigen::MatrixXcd::Identity(nrhs,nrhs);
Eigen::MatrixXcd m_tmp1 = Eigen::MatrixXcd::Identity(nrhs,nrhs);
GridStopWatch HDCGTimer;
//////////////////////////
// x0 = Vstart -- possibly modify guess
//////////////////////////
_Precon.Vstart(X,src);
//////////////////////////
// R = B-AX
//////////////////////////
for(int rhs=0;rhs<nrhs;rhs++){
// r0 = b -A x0
_FineLinop.HermOp(X[rhs],tmp[rhs]);
axpy (Z[rhs], -1.0,tmp[rhs], src[rhs]); // Computes R=Z=src - A X0
}
//////////////////////////////////
// Compute MZ = M1 Z = M1 B - M1 A x0
//////////////////////////////////
_Precon(Z,MZ);
//////////////////////////////////
// QC = Z
//////////////////////////////////
ThinQRfact (m_zz, m_C, m_Cinv, Q, MQ, Z, MZ);
//////////////////////////////////
// D=MQ
//////////////////////////////////
for(int b=0;b<nrhs;b++) D[b]=MQ[b]; // LLT rotation of the MZ basis of search dirs
std::cout << GridLogMessage<<"PrecBlockCGrQ vec computed initial residual and QR fact " <<std::endl;
_Precon.ResetTimers();
GridStopWatch M1Timer;
GridStopWatch M2Timer;
GridStopWatch M3Timer;
GridStopWatch LinalgTimer;
GridStopWatch InnerProdTimer;
HDCGTimer.Start();
std::vector<RealD> rn(nrhs);
for (int k=0;k<=MaxIterations;k++){
////////////////////
// Z = AD
////////////////////
M3Timer.Start();
for(int b=0;b<nrhs;b++) _FineLinop.HermOp(D[b], Z[b]);
M3Timer.Stop();
////////////////////
// MZ = M1 Z <==== the Multigrid preconditioner
////////////////////
M1Timer.Start();
_Precon(Z,MZ);
M1Timer.Stop();
////////////////////
// M = [D^dag Z]^{-1} = (<Ddag MZ>_M)^{-1} inner prod, generalising Saad derivation of Precon CG
////////////////////
InnerProdTimer.Start();
_BlockCGLinalg.InnerProductMatrix(m_DZ,D,Z);
InnerProdTimer.Stop();
m_M = m_DZ.inverse();
///////////////////////////
// X = X + D MC
///////////////////////////
m_tmp = m_M * m_C;
LinalgTimer.Start();
_BlockCGLinalg.MaddMatrix(X,m_tmp, D,X); // D are the search directions and X takes the updates
LinalgTimer.Stop();
///////////////////////////
// QS = Q - M Z
// (MQ) S = MQ - M (M1Z)
///////////////////////////
LinalgTimer.Start();
_BlockCGLinalg.MaddMatrix(tmp ,m_M, Z, Q,-1.0);
_BlockCGLinalg.MaddMatrix(Mtmp,m_M,MZ,MQ,-1.0);
ThinQRfact (m_zz, m_S, m_Sinv, Q, MQ, tmp, Mtmp);
LinalgTimer.Stop();
////////////////////////////
// D = MQ + D S^dag
////////////////////////////
m_tmp = m_S.adjoint();
LinalgTimer.Start();
_BlockCGLinalg.MaddMatrix(D,m_tmp,D,MQ);
LinalgTimer.Stop();
////////////////////////////
// C = S C
////////////////////////////
m_C = m_S*m_C;
////////////////////////////
// convergence monitor
////////////////////////////
m_rr = m_C.adjoint() * m_C;
RealD max_resid=0;
RealD rrsum=0;
RealD sssum=0;
RealD rr;
for(int b=0;b<nrhs;b++) {
rrsum+=real(m_rr(b,b));
sssum+=ssq[b];
rr = real(m_rr(b,b))/ssq[b];
if ( rr > max_resid ) max_resid = rr;
}
std::cout << GridLogMessage <<
"\t Prec BlockCGrQ Iteration "<<k<<" ave resid "<< std::sqrt(rrsum/sssum) << " max "<< std::sqrt(max_resid) <<std::endl;
if ( max_resid < Tolerance*Tolerance ) {
HDCGTimer.Stop();
std::cout<<GridLogMessage<<"HDCG: mrhs PrecBlockCGrQ converged in "<<k<<" iterations and "<<HDCGTimer.Elapsed()<<std::endl;;
std::cout<<GridLogMessage<<"HDCG: mrhs PrecBlockCGrQ : Linalg "<<LinalgTimer.Elapsed()<<std::endl;;
std::cout<<GridLogMessage<<"HDCG: mrhs PrecBlockCGrQ : fine H "<<M3Timer.Elapsed()<<std::endl;;
std::cout<<GridLogMessage<<"HDCG: mrhs PrecBlockCGrQ : prec M1 "<<M1Timer.Elapsed()<<std::endl;;
_Precon.ReportTimers("HDCG: mrhs PrecBlockCGrQ : ");
for(int rhs=0;rhs<nrhs;rhs++){
_FineLinop.HermOp(X[rhs],tmp[rhs]);
Field mytmp(grid);
axpy(mytmp,-1.0,src[rhs],tmp[rhs]);
RealD xnorm = sqrt(norm2(X[rhs]));
RealD srcnorm = sqrt(norm2(src[rhs]));
RealD tmpnorm = sqrt(norm2(mytmp));
RealD true_residual = tmpnorm/srcnorm;
std::cout<<GridLogMessage
<<"HDCG: true residual ["<<rhs<<"] is "<<true_residual
<<" solution "<<xnorm
<<" source "<<srcnorm
<<std::endl;
}
return;
}
}
HDCGTimer.Stop();
std::cout<<GridLogMessage<<"HDCG: PrecBlockCGrQ not converged "<<HDCGTimer.Elapsed()<<std::endl;
GRID_ASSERT(0);
}
virtual void SolveSingleSystem (std::vector<Field> &src, std::vector<Field> &x)
{
std::cout << GridLogMessage<<"HDCG: mrhs fPcg starting"<<std::endl;
src[0].Grid()->Barrier();
int nrhs = src.size();
std::vector<RealD> f(nrhs);
std::vector<RealD> rtzp(nrhs);
std::vector<RealD> rtz(nrhs);
std::vector<RealD> a(nrhs);
std::vector<RealD> d(nrhs);
std::vector<RealD> b(nrhs);
std::vector<RealD> rptzp(nrhs);
/////////////////////////////
// Set up history vectors
/////////////////////////////
int mmax = 3;
std::vector<std::vector<Field> > p(nrhs); for(int r=0;r<nrhs;r++) p[r].resize(mmax,grid);
std::vector<std::vector<Field> > mmp(nrhs); for(int r=0;r<nrhs;r++) mmp[r].resize(mmax,grid);
std::vector<std::vector<RealD> > pAp(nrhs); for(int r=0;r<nrhs;r++) pAp[r].resize(mmax);
std::vector<Field> z(nrhs,grid);
std::vector<Field> mp (nrhs,grid);
std::vector<Field> r (nrhs,grid);
std::vector<Field> mu (nrhs,grid);
//Initial residual computation & set up
std::vector<RealD> src_nrm(nrhs);
for(int rhs=0;rhs<nrhs;rhs++) {
src_nrm[rhs]=norm2(src[rhs]);
GRID_ASSERT(src_nrm[rhs]!=0.0);
}
std::vector<RealD> tn(nrhs);
GridStopWatch HDCGTimer;
//////////////////////////
// x0 = Vstart -- possibly modify guess
//////////////////////////
_Precon.Vstart(x,src);
for(int rhs=0;rhs<nrhs;rhs++){
// r0 = b -A x0
_FineLinop.HermOp(x[rhs],mmp[rhs][0]);
axpy (r[rhs], -1.0,mmp[rhs][0], src[rhs]); // Recomputes r=src-Ax0
}
//////////////////////////////////
// Compute z = M1 x
//////////////////////////////////
// This needs a multiRHS version for acceleration
_Precon(r,z);
std::vector<RealD> ssq(nrhs);
std::vector<RealD> rsq(nrhs);
std::vector<Field> pp(nrhs,grid);
for(int rhs=0;rhs<nrhs;rhs++){
rtzp[rhs] =real(innerProduct(r[rhs],z[rhs]));
p[rhs][0]=z[rhs];
ssq[rhs]=norm2(src[rhs]);
rsq[rhs]= ssq[rhs]*Tolerance*Tolerance;
// std::cout << GridLogMessage<<"mrhs HDCG: "<<rhs<<" k=0 residual "<<rtzp[rhs]<<" rsq "<<rsq[rhs]<<"\n";
}
_Precon.ResetTimers();
GridStopWatch M1Timer;
GridStopWatch M2Timer;
GridStopWatch M3Timer;
GridStopWatch LinalgTimer;
HDCGTimer.Start();
std::vector<RealD> rn(nrhs);
for (int k=0;k<=MaxIterations;k++){
int peri_k = k % mmax;
int peri_kp = (k+1) % mmax;
for(int rhs=0;rhs<nrhs;rhs++){
rtz[rhs]=rtzp[rhs];
M3Timer.Start();
d[rhs]= PcgM3(p[rhs][peri_k],mmp[rhs][peri_k]);
M3Timer.Stop();
a[rhs] = rtz[rhs]/d[rhs];
LinalgTimer.Start();
// Memorise this
pAp[rhs][peri_k] = d[rhs];
axpy(x[rhs],a[rhs],p[rhs][peri_k],x[rhs]);
rn[rhs] = axpy_norm(r[rhs],-a[rhs],mmp[rhs][peri_k],r[rhs]);
LinalgTimer.Stop();
}
// Compute z = M x (for *all* RHS)
M1Timer.Start();
_Precon(r,z);
M1Timer.Stop();
RealD max_rn=0.0;
LinalgTimer.Start();
for(int rhs=0;rhs<nrhs;rhs++){
rtzp[rhs] =real(innerProduct(r[rhs],z[rhs]));
// std::cout << GridLogMessage<<"HDCG::fPcg rhs"<<rhs<<" iteration "<<k<<" : inner rtzp "<<rtzp[rhs]<<"\n";
mu[rhs]=z[rhs];
p[rhs][peri_kp]=mu[rhs];
// Standard search direction p == z + b p
b[rhs] = (rtzp[rhs])/rtz[rhs];
int northog = (k>mmax-1)?(mmax-1):k; // This is the fCG-Tr(mmax-1) algorithm
for(int back=0; back < northog; back++){
int peri_back = (k-back)%mmax;
RealD pbApk= real(innerProduct(mmp[rhs][peri_back],p[rhs][peri_kp]));
RealD beta = -pbApk/pAp[rhs][peri_back];
axpy(p[rhs][peri_kp],beta,p[rhs][peri_back],p[rhs][peri_kp]);
}
RealD rrn=sqrt(rn[rhs]/ssq[rhs]);
RealD rtn=sqrt(rtz[rhs]/ssq[rhs]);
RealD rtnp=sqrt(rtzp[rhs]/ssq[rhs]);
std::cout<<GridLogMessage<<"HDCG:fPcg rhs "<<rhs<<" k= "<<k<<" residual = "<<rrn<<"\n";
if ( rrn > max_rn ) max_rn = rrn;
}
LinalgTimer.Stop();
// Stopping condition based on worst case
if ( max_rn <= Tolerance ) {
HDCGTimer.Stop();
std::cout<<GridLogMessage<<"HDCG: mrhs fPcg converged in "<<k<<" iterations and "<<HDCGTimer.Elapsed()<<std::endl;;
std::cout<<GridLogMessage<<"HDCG: mrhs fPcg : Linalg "<<LinalgTimer.Elapsed()<<std::endl;;
std::cout<<GridLogMessage<<"HDCG: mrhs fPcg : fine M3 "<<M3Timer.Elapsed()<<std::endl;;
std::cout<<GridLogMessage<<"HDCG: mrhs fPcg : prec M1 "<<M1Timer.Elapsed()<<std::endl;;
_Precon.ReportTimers("HDCG: mrhs fPcg : ");
for(int rhs=0;rhs<nrhs;rhs++){
_FineLinop.HermOp(x[rhs],mmp[rhs][0]);
Field tmp(grid);
axpy(tmp,-1.0,src[rhs],mmp[rhs][0]);
RealD mmpnorm = sqrt(norm2(mmp[rhs][0]));
RealD xnorm = sqrt(norm2(x[rhs]));
RealD srcnorm = sqrt(norm2(src[rhs]));
RealD tmpnorm = sqrt(norm2(tmp));
RealD true_residual = tmpnorm/srcnorm;
std::cout<<GridLogMessage
<<"HDCG: true residual ["<<rhs<<"] is "<<true_residual
<<" solution "<<xnorm
<<" source "<<srcnorm
<<" mmp "<<mmpnorm
<<std::endl;
}
return;
}
}
HDCGTimer.Stop();
std::cout<<GridLogMessage<<"HDCG: not converged "<<HDCGTimer.Elapsed()<<std::endl;
for(int rhs=0;rhs<nrhs;rhs++){
RealD xnorm = sqrt(norm2(x[rhs]));
RealD srcnorm = sqrt(norm2(src[rhs]));
std::cout<<GridLogMessage<<"HDCG: non-converged solution "<<xnorm<<" source "<<srcnorm<<std::endl;
}
}
RealD PcgM3(const Field & p, Field & mmp){
RealD dd;
_FineLinop.HermOp(p,mmp);
ComplexD dot = innerProduct(p,mmp);
dd=real(dot);
return dd;
}
};
//////////////////////////////////////////////////////////////////////
// ADEF-2 as an mrhs preconditioner object (Tang, Nabben, Vuik, Erlangga):
// M1 = [1 - Q A] M + Q with Q = P A_c^{-1} P^dag (deflated coarse solve)
// Vstart = Q b the coarse-corrected start (precise coarse solve)
// The coarse space is the D+1 multiRHS field throughout: the projector's
// mixed overloads take the vector of fine fields straight to it, and the
// deflator and coarse solver act on it. No per-rhs slices anywhere.
// The D+1 grid follows the solver's Nrhs through SetCoarseGridMrhs.
//////////////////////////////////////////////////////////////////////
// Projector_t defaults to a transfer operator whose STORE matches Field.
template<class Field, class CoarseField, class Projector_t = MultiRHSBlockProject<Field> >
class MrhsADEF2Preconditioner : public MrhsPreconditioner<Field>
{
public:
GridBase *grid; // fine
GridBase *coarsegridmrhs; // D+1, rhs innermost
LinearOperatorBase<Field> &_FineLinop;
LinearFunction<Field> &_Smoother;
LinearFunction<CoarseField> &_CoarseSolver; // in M1
LinearFunction<CoarseField> &_CoarseSolverPrecise; // in Vstart
Projector_t &_Projector; // store precision need not match Field
MultiRHSDeflation<CoarseField> &_Deflator; // nev==0: no deflation, zero coarse guess
MrhsADEF2Preconditioner(LinearOperatorBase<Field> &FineLinop,
LinearFunction<Field> &Smoother,
LinearFunction<CoarseField> &CoarseSolver,
LinearFunction<CoarseField> &CoarseSolverPrecise,
Projector_t &Projector,
MultiRHSDeflation<CoarseField> &Deflator,
GridBase *CoarseGridMrhs,
GridBase *FineGrid) :
_FineLinop(FineLinop), _Smoother(Smoother),
_CoarseSolver(CoarseSolver), _CoarseSolverPrecise(CoarseSolverPrecise),
_Projector(Projector), _Deflator(Deflator)
{
// The fine grid is given, NOT taken from the projector: the projector's
// grid carries its STORE's layout, which need not be this Field's (an
// fp32 preconditioner may project through an fp64 store, or the reverse).
grid = FineGrid;
coarsegridmrhs = CoarseGridMrhs;
};
// Store matches Field: the projector's grid IS this Field's grid.
MrhsADEF2Preconditioner(LinearOperatorBase<Field> &FineLinop,
LinearFunction<Field> &Smoother,
LinearFunction<CoarseField> &CoarseSolver,
LinearFunction<CoarseField> &CoarseSolverPrecise,
Projector_t &Projector,
MultiRHSDeflation<CoarseField> &Deflator,
GridBase *CoarseGridMrhs) :
MrhsADEF2Preconditioner(FineLinop,Smoother,CoarseSolver,CoarseSolverPrecise,
Projector,Deflator,CoarseGridMrhs,Projector.fine_grid) {};
void SetCoarseGridMrhs(GridBase *CoarseGridMrhs) { coarsegridmrhs = CoarseGridMrhs; }
// The coarse solver's starting guess: deflated, or zero
void CoarseGuess(CoarseField &src,CoarseField &guess)
{
this->DeflateTimer.Start();
if ( _Deflator.nev > 0 ) _Deflator.DeflateSources(src,guess);
else guess = Zero();
this->DeflateTimer.Stop();
}
// x_0 = Q b
virtual void Vstart(std::vector<Field> &x,std::vector<Field> &src)
{
CoarseField Csrc(coarsegridmrhs), Csol(coarsegridmrhs);
this->ProjectTimer.Start(); _Projector.blockProject(src,Csrc); this->ProjectTimer.Stop();
CoarseGuess(Csrc,Csol);
this->CoarseTimer.Start(); _CoarseSolverPrecise(Csrc,Csol); this->CoarseTimer.Stop();
this->PromoteTimer.Start(); _Projector.blockPromote(x,Csol); this->PromoteTimer.Stop();
}
// [1 - Q A] M in + Q in = Min + Q [in - A Min]
virtual void operator()(std::vector<Field> &in,std::vector<Field> &out)
{
int nrhs=in.size();
std::vector<Field> tmp(nrhs,grid), Min(nrhs,grid);
CoarseField Csrc(coarsegridmrhs), Csol(coarsegridmrhs);
this->SmoothTimer.Start();
for(int r=0;r<nrhs;r++) _Smoother(in[r],Min[r]);
this->SmoothTimer.Stop();
this->FineTimer.Start();
for(int r=0;r<nrhs;r++){
_FineLinop.HermOp(Min[r],out[r]);
axpy(tmp[r],-1.0,out[r],in[r]); // in - A Min
}
this->FineTimer.Stop();
this->ProjectTimer.Start(); _Projector.blockProject(tmp,Csrc); this->ProjectTimer.Stop();
CoarseGuess(Csrc,Csol);
this->CoarseTimer.Start(); _CoarseSolver(Csrc,Csol); this->CoarseTimer.Stop();
this->PromoteTimer.Start(); _Projector.blockPromote(tmp,Csol); this->PromoteTimer.Stop();
this->FineTimer.Start();
for(int r=0;r<nrhs;r++) axpy(out[r],1.0,Min[r],tmp[r]); // Min + Q[in - A Min]
this->FineTimer.Stop();
}
};
NAMESPACE_END(Grid);
-234
View File
@@ -1,234 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/BiCGSTAB.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: paboyle <paboyle@ph.ed.ac.uk>
Author: juettner <juettner@soton.ac.uk>
Author: David Murphy <djmurphy@mit.edu>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_BICGSTAB_H
#define GRID_BICGSTAB_H
NAMESPACE_BEGIN(Grid);
/////////////////////////////////////////////////////////////
// Base classes for iterative processes based on operators
// single input vec, single output vec.
/////////////////////////////////////////////////////////////
template <class Field>
class BiCGSTAB : public OperatorFunction<Field>
{
public:
using OperatorFunction<Field>::operator();
bool ErrorOnNoConverge; // throw an GRID_ASSERT when the CG fails to converge.
// Defaults true.
RealD Tolerance;
Integer MaxIterations;
Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
BiCGSTAB(RealD tol, Integer maxit, bool err_on_no_conv = true) :
Tolerance(tol), MaxIterations(maxit), ErrorOnNoConverge(err_on_no_conv){};
void operator()(LinearOperatorBase<Field>& Linop, const Field& src, Field& psi)
{
psi.Checkerboard() = src.Checkerboard();
conformable(psi, src);
RealD cp(0), rho(1), rho_prev(0), alpha(1), beta(0), omega(1);
RealD a(0), bo(0), b(0), ssq(0);
Field p(src);
Field r(src);
Field rhat(src);
Field v(src);
Field s(src);
Field t(src);
Field h(src);
v = Zero();
p = Zero();
// Initial residual computation & set up
RealD guess = norm2(psi);
GRID_ASSERT(std::isnan(guess) == 0);
Linop.Op(psi, v);
b = norm2(v);
r = src - v;
rhat = r;
a = norm2(r);
ssq = norm2(src);
std::cout << GridLogIterative << std::setprecision(8) << "BiCGSTAB: guess " << guess << std::endl;
std::cout << GridLogIterative << std::setprecision(8) << "BiCGSTAB: src " << ssq << std::endl;
std::cout << GridLogIterative << std::setprecision(8) << "BiCGSTAB: mp " << b << std::endl;
std::cout << GridLogIterative << std::setprecision(8) << "BiCGSTAB: r " << a << std::endl;
RealD rsq = Tolerance * Tolerance * ssq;
// Check if guess is really REALLY good :)
if(a <= rsq){ return; }
std::cout << GridLogIterative << std::setprecision(8) << "BiCGSTAB: k=0 residual " << a << " target " << rsq << std::endl;
GridStopWatch LinalgTimer;
GridStopWatch InnerTimer;
GridStopWatch AxpyNormTimer;
GridStopWatch LinearCombTimer;
GridStopWatch MatrixTimer;
GridStopWatch SolverTimer;
SolverTimer.Start();
int k;
for (k = 1; k <= MaxIterations; k++)
{
rho_prev = rho;
LinalgTimer.Start();
InnerTimer.Start();
ComplexD Crho = innerProduct(rhat,r);
InnerTimer.Stop();
rho = Crho.real();
beta = (rho / rho_prev) * (alpha / omega);
LinearCombTimer.Start();
bo = beta * omega;
{
autoView( p_v , p, AcceleratorWrite);
autoView( r_v , r, AcceleratorRead);
autoView( v_v , v, AcceleratorRead);
accelerator_for(ss, p_v.size(), Field::vector_object::Nsimd(),{
coalescedWrite(p_v[ss], beta*p_v(ss) - bo*v_v(ss) + r_v(ss));
});
}
LinearCombTimer.Stop();
LinalgTimer.Stop();
MatrixTimer.Start();
Linop.Op(p,v);
MatrixTimer.Stop();
LinalgTimer.Start();
InnerTimer.Start();
ComplexD Calpha = innerProduct(rhat,v);
InnerTimer.Stop();
alpha = rho / Calpha.real();
LinearCombTimer.Start();
{
autoView( p_v , p, AcceleratorRead);
autoView( r_v , r, AcceleratorRead);
autoView( v_v , v, AcceleratorRead);
autoView( psi_v,psi, AcceleratorRead);
autoView( h_v , h, AcceleratorWrite);
autoView( s_v , s, AcceleratorWrite);
accelerator_for(ss, h_v.size(), Field::vector_object::Nsimd(),{
coalescedWrite(h_v[ss], alpha*p_v(ss) + psi_v(ss));
});
accelerator_for(ss, s_v.size(), Field::vector_object::Nsimd(),{
coalescedWrite(s_v[ss], -alpha*v_v(ss) + r_v(ss));
});
}
LinearCombTimer.Stop();
LinalgTimer.Stop();
MatrixTimer.Start();
Linop.Op(s,t);
MatrixTimer.Stop();
LinalgTimer.Start();
InnerTimer.Start();
ComplexD Comega = innerProduct(t,s);
InnerTimer.Stop();
omega = Comega.real() / norm2(t);
LinearCombTimer.Start();
{
autoView( psi_v,psi, AcceleratorWrite);
autoView( r_v , r, AcceleratorWrite);
autoView( h_v , h, AcceleratorRead);
autoView( s_v , s, AcceleratorRead);
autoView( t_v , t, AcceleratorRead);
accelerator_for(ss, psi_v.size(), Field::vector_object::Nsimd(),{
coalescedWrite(psi_v[ss], h_v(ss) + omega * s_v(ss));
coalescedWrite(r_v[ss], -omega * t_v(ss) + s_v(ss));
});
}
LinearCombTimer.Stop();
cp = norm2(r);
LinalgTimer.Stop();
std::cout << GridLogIterative << "BiCGSTAB: Iteration " << k << " residual " << sqrt(cp/ssq) << " target " << Tolerance << std::endl;
// Stopping condition
if(cp <= rsq)
{
SolverTimer.Stop();
Linop.Op(psi, v);
p = v - src;
RealD srcnorm = sqrt(norm2(src));
RealD resnorm = sqrt(norm2(p));
RealD true_residual = resnorm / srcnorm;
std::cout << GridLogMessage << "BiCGSTAB Converged on iteration " << k << std::endl;
std::cout << GridLogMessage << "\tComputed residual " << sqrt(cp/ssq) << std::endl;
std::cout << GridLogMessage << "\tTrue residual " << true_residual << std::endl;
std::cout << GridLogMessage << "\tTarget " << Tolerance << std::endl;
std::cout << GridLogMessage << "Time breakdown " << std::endl;
std::cout << GridLogMessage << "\tElapsed " << SolverTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "\tMatrix " << MatrixTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "\tLinalg " << LinalgTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "\tInner " << InnerTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "\tAxpyNorm " << AxpyNormTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "\tLinearComb " << LinearCombTimer.Elapsed() << std::endl;
if(ErrorOnNoConverge){ GRID_ASSERT(true_residual / Tolerance < 10000.0); }
IterationsToComplete = k;
return;
}
}
std::cout << GridLogMessage << "BiCGSTAB did NOT converge" << std::endl;
if(ErrorOnNoConverge){ GRID_ASSERT(0); }
IterationsToComplete = k;
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,159 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/BiCGSTABMixedPrec.h
Copyright (C) 2015
Author: Christopher Kelly <ckelly@phys.columbia.edu>
Author: David Murphy <djmurphy@mit.edu>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_BICGSTAB_MIXED_PREC_H
#define GRID_BICGSTAB_MIXED_PREC_H
NAMESPACE_BEGIN(Grid);
// Mixed precision restarted defect correction BiCGSTAB
template<class FieldD, class FieldF, typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0, typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0>
class MixedPrecisionBiCGSTAB : public LinearFunction<FieldD>
{
public:
using LinearFunction<FieldD>::operator();
RealD Tolerance;
RealD InnerTolerance; // Initial tolerance for inner CG. Defaults to Tolerance but can be changed
Integer MaxInnerIterations;
Integer MaxOuterIterations;
GridBase* SinglePrecGrid; // Grid for single-precision fields
RealD OuterLoopNormMult; // Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
LinearOperatorBase<FieldF> &Linop_f;
LinearOperatorBase<FieldD> &Linop_d;
Integer TotalInnerIterations; //Number of inner CG iterations
Integer TotalOuterIterations; //Number of restarts
Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
//Option to speed up *inner single precision* solves using a LinearFunction that produces a guess
LinearFunction<FieldF> *guesser;
MixedPrecisionBiCGSTAB(RealD tol, Integer maxinnerit, Integer maxouterit, GridBase* _sp_grid,
LinearOperatorBase<FieldF>& _Linop_f, LinearOperatorBase<FieldD>& _Linop_d) :
Linop_f(_Linop_f), Linop_d(_Linop_d), Tolerance(tol), InnerTolerance(tol), MaxInnerIterations(maxinnerit),
MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid), OuterLoopNormMult(100.), guesser(NULL) {};
void useGuesser(LinearFunction<FieldF>& g){
guesser = &g;
}
void operator() (const FieldD& src_d_in, FieldD& sol_d)
{
TotalInnerIterations = 0;
GridStopWatch TotalTimer;
TotalTimer.Start();
int cb = src_d_in.Checkerboard();
sol_d.Checkerboard() = cb;
RealD src_norm = norm2(src_d_in);
RealD stop = src_norm * Tolerance*Tolerance;
GridBase* DoublePrecGrid = src_d_in.Grid();
FieldD tmp_d(DoublePrecGrid);
tmp_d.Checkerboard() = cb;
FieldD tmp2_d(DoublePrecGrid);
tmp2_d.Checkerboard() = cb;
FieldD src_d(DoublePrecGrid);
src_d = src_d_in; //source for next inner iteration, computed from residual during operation
RealD inner_tol = InnerTolerance;
FieldF src_f(SinglePrecGrid);
src_f.Checkerboard() = cb;
FieldF sol_f(SinglePrecGrid);
sol_f.Checkerboard() = cb;
BiCGSTAB<FieldF> CG_f(inner_tol, MaxInnerIterations);
CG_f.ErrorOnNoConverge = false;
GridStopWatch InnerCGtimer;
GridStopWatch PrecChangeTimer;
Integer &outer_iter = TotalOuterIterations; //so it will be equal to the final iteration count
for(outer_iter = 0; outer_iter < MaxOuterIterations; outer_iter++)
{
// Compute double precision rsd and also new RHS vector.
Linop_d.Op(sol_d, tmp_d);
RealD norm = axpy_norm(src_d, -1., tmp_d, src_d_in); //src_d is residual vector
std::cout << GridLogMessage << "MixedPrecisionBiCGSTAB: Outer iteration " << outer_iter << " residual " << norm << " target " << stop << std::endl;
if(norm < OuterLoopNormMult * stop){
std::cout << GridLogMessage << "MixedPrecisionBiCGSTAB: Outer iteration converged on iteration " << outer_iter << std::endl;
break;
}
while(norm * inner_tol * inner_tol < stop){ inner_tol *= 2; } // inner_tol = sqrt(stop/norm) ??
PrecChangeTimer.Start();
precisionChange(src_f, src_d);
PrecChangeTimer.Stop();
sol_f = Zero();
//Optionally improve inner solver guess (eg using known eigenvectors)
if(guesser != NULL){ (*guesser)(src_f, sol_f); }
//Inner CG
CG_f.Tolerance = inner_tol;
InnerCGtimer.Start();
CG_f(Linop_f, src_f, sol_f);
InnerCGtimer.Stop();
TotalInnerIterations += CG_f.IterationsToComplete;
//Convert sol back to double and add to double prec solution
PrecChangeTimer.Start();
precisionChange(tmp_d, sol_f);
PrecChangeTimer.Stop();
axpy(sol_d, 1.0, tmp_d, sol_d);
}
//Final trial CG
std::cout << GridLogMessage << "MixedPrecisionBiCGSTAB: Starting final patch-up double-precision solve" << std::endl;
BiCGSTAB<FieldD> CG_d(Tolerance, MaxInnerIterations);
CG_d(Linop_d, src_d_in, sol_d);
TotalFinalStepIterations = CG_d.IterationsToComplete;
TotalTimer.Stop();
std::cout << GridLogMessage << "MixedPrecisionBiCGSTAB: Inner CG iterations " << TotalInnerIterations << " Restarts " << TotalOuterIterations << " Final CG iterations " << TotalFinalStepIterations << std::endl;
std::cout << GridLogMessage << "MixedPrecisionBiCGSTAB: Total time " << TotalTimer.Elapsed() << " Precision change " << PrecChangeTimer.Elapsed() << " Inner CG total " << InnerCGtimer.Elapsed() << std::endl;
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,741 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/BlockConjugateGradient.h
Copyright (C) 2017
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
template<class Field>
void InnerProductMatrix(Eigen::MatrixXcd &m , const std::vector<Field> &X, const std::vector<Field> &Y){
typedef typename Field::scalar_type scomplex;
int Nblock = X.size();
for(int b=0;b<Nblock;b++){
for(int bp=0;bp<Nblock;bp++) {
m(b,bp) = innerProduct(X[b],Y[bp]);
}}
}
template<class Field>
void MaddMatrix(std::vector<Field> &AP, Eigen::MatrixXcd &m , const std::vector<Field> &X,const std::vector<Field> &Y,RealD scale=1.0){
// Should make this cache friendly with site outermost, parallel_for
// Deal with case AP aliases with either Y or X
//
//Could pack "X" and "AP" into a Nblock x Volume dense array.
// AP(Nrhs x vol) = Y(Nrhs x vol) + scale * m(nrhs x nrhs) * X(nrhs*vol)
typedef typename Field::scalar_type scomplex;
int Nblock = AP.size();
std::vector<Field> tmp(Nblock,X[0]);
for(int b=0;b<Nblock;b++){
tmp[b] = Y[b];
for(int bp=0;bp<Nblock;bp++) {
tmp[b] = tmp[b] +scomplex(scale*m(bp,b))*X[bp];
}
}
for(int b=0;b<Nblock;b++){
AP[b] = tmp[b];
}
}
template<class Field>
void MulMatrix(std::vector<Field> &AP, Eigen::MatrixXcd &m , const std::vector<Field> &X){
// Should make this cache friendly with site outermost, parallel_for
typedef typename Field::scalar_type scomplex;
int Nblock = AP.size();
for(int b=0;b<Nblock;b++){
AP[b] = Zero();
for(int bp=0;bp<Nblock;bp++) {
AP[b] += scomplex(m(bp,b))*X[bp];
}
}
}
template<class Field>
double normv(const std::vector<Field> &P){
int Nblock = P.size();
double nn = 0.0;
for(int b=0;b<Nblock;b++) {
nn+=norm2(P[b]);
}
return nn;
}
enum BlockCGtype { BlockCG, BlockCGrQ, CGmultiRHS, BlockCGVec, BlockCGrQVec };
//////////////////////////////////////////////////////////////////////////
// Block conjugate gradient. Dimension zero should be the block direction
//////////////////////////////////////////////////////////////////////////
template <class Field>
class BlockConjugateGradient : public OperatorFunction<Field> {
public:
typedef typename Field::scalar_type scomplex;
int blockDim ;
int Nblock;
BlockCGtype CGtype;
bool ErrorOnNoConverge; // throw an GRID_ASSERT when the CG fails to converge.
// Defaults true.
RealD Tolerance;
Integer MaxIterations;
Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
Integer PrintInterval; //GridLogMessages or Iterative
RealD TrueResidual;
BlockConjugateGradient(BlockCGtype cgtype,int _Orthog,RealD tol, Integer maxit, bool err_on_no_conv = true)
: Tolerance(tol), CGtype(cgtype), blockDim(_Orthog), MaxIterations(maxit), ErrorOnNoConverge(err_on_no_conv),PrintInterval(100)
{};
////////////////////////////////////////////////////////////////////////////////////////////////////
// Thin QR factorisation (google it)
////////////////////////////////////////////////////////////////////////////////////////////////////
////////////////////////////////////////////////////////////////////////////////////////////////////
//Dimensions
// R_{ferm x Nblock} = Q_{ferm x Nblock} x C_{Nblock x Nblock} -> ferm x Nblock
//
// Rdag R = m_rr = Herm = L L^dag <-- Cholesky decomposition (LLT routine in Eigen)
//
// Q C = R => Q = R C^{-1}
//
// Want Ident = Q^dag Q = C^{-dag} R^dag R C^{-1} = C^{-dag} L L^dag C^{-1} = 1_{Nblock x Nblock}
//
// Set C = L^{dag}, and then Q^dag Q = ident
//
// Checks:
// Cdag C = Rdag R ; passes.
// QdagQ = 1 ; passes
////////////////////////////////////////////////////////////////////////////////////////////////////
void ThinQRfact (Eigen::MatrixXcd &m_rr,
Eigen::MatrixXcd &C,
Eigen::MatrixXcd &Cinv,
Field & Q,
const Field & R)
{
int Orthog = blockDim; // First dimension is block dim; this is an assumption
sliceInnerProductMatrix(m_rr,R,R,Orthog);
// Force manifest hermitian to avoid rounding related
/*
int rank=m_rr.rows();
for(int r=0;r<rank;r++){
for(int s=0;s<rank;s++){
std::cout << "QR m_rr["<<r<<","<<s<<"] "<<m_rr(r,s)<<std::endl;
}}
*/
m_rr = 0.5*(m_rr+m_rr.adjoint());
Eigen::MatrixXcd L = m_rr.llt().matrixL();
// ComplexD det = L.determinant();
// std::cout << " Det m_rr "<<det<<std::endl;
C = L.adjoint();
Cinv = C.inverse();
////////////////////////////////////////////////////////////////////////////////////////////////////
// Q = R C^{-1}
//
// Q_j = R_i Cinv(i,j)
//
// NB maddMatrix conventions are Right multiplication X[j] a[j,i] already
////////////////////////////////////////////////////////////////////////////////////////////////////
sliceMulMatrix(Q,Cinv,R,Orthog);
}
// see comments above
void ThinQRfact (Eigen::MatrixXcd &m_rr,
Eigen::MatrixXcd &C,
Eigen::MatrixXcd &Cinv,
std::vector<Field> & Q,
const std::vector<Field> & R)
{
InnerProductMatrix(m_rr,R,R);
/*
int rank=m_rr.rows();
for(int r=0;r<rank;r++){
for(int s=0;s<rank;s++){
std::cout << "QRvec m_rr["<<r<<","<<s<<"] "<<m_rr(r,s)<<std::endl;
}}
*/
m_rr = 0.5*(m_rr+m_rr.adjoint());
Eigen::MatrixXcd L = m_rr.llt().matrixL();
// ComplexD det = L.determinant();
// std::cout << " Det m_rr "<<det<<std::endl;
C = L.adjoint();
Cinv = C.inverse();
MulMatrix(Q,Cinv,R);
}
////////////////////////////////////////////////////////////////////////////////////////////////////
// Call one of several implementations
////////////////////////////////////////////////////////////////////////////////////////////////////
void operator()(LinearOperatorBase<Field> &Linop, const Field &Src, Field &Psi)
{
if ( CGtype == BlockCGrQ ) {
BlockCGrQsolve(Linop,Src,Psi);
} else if (CGtype == CGmultiRHS ) {
CGmultiRHSsolve(Linop,Src,Psi);
} else {
GRID_ASSERT(0);
}
}
virtual void operator()(LinearOperatorBase<Field> &Linop, const std::vector<Field> &Src, std::vector<Field> &Psi)
{
if ( CGtype == BlockCGrQVec ) {
BlockCGrQsolveVec(Linop,Src,Psi);
} else {
GRID_ASSERT(0);
}
}
////////////////////////////////////////////////////////////////////////////
// BlockCGrQ implementation:
//--------------------------
// X is guess/Solution
// B is RHS
// Solve A X_i = B_i ; i refers to Nblock index
////////////////////////////////////////////////////////////////////////////
void BlockCGrQsolve(LinearOperatorBase<Field> &Linop, const Field &B, Field &X)
{
int Orthog = blockDim; // First dimension is block dim; this is an assumption
Nblock = B.Grid()->_fdimensions[Orthog];
/* FAKE */
Nblock=8;
std::cout<<GridLogMessage<<" Block Conjugate Gradient : Orthog "<<Orthog<<" Nblock "<<Nblock<<std::endl;
X.Checkerboard() = B.Checkerboard();
conformable(X, B);
Field tmp(B);
Field Q(B);
Field D(B);
Field Z(B);
Field AD(B);
Eigen::MatrixXcd m_DZ = Eigen::MatrixXcd::Identity(Nblock,Nblock);
Eigen::MatrixXcd m_M = Eigen::MatrixXcd::Identity(Nblock,Nblock);
Eigen::MatrixXcd m_rr = Eigen::MatrixXcd::Zero(Nblock,Nblock);
Eigen::MatrixXcd m_C = Eigen::MatrixXcd::Zero(Nblock,Nblock);
Eigen::MatrixXcd m_Cinv = Eigen::MatrixXcd::Zero(Nblock,Nblock);
Eigen::MatrixXcd m_S = Eigen::MatrixXcd::Zero(Nblock,Nblock);
Eigen::MatrixXcd m_Sinv = Eigen::MatrixXcd::Zero(Nblock,Nblock);
Eigen::MatrixXcd m_tmp = Eigen::MatrixXcd::Identity(Nblock,Nblock);
Eigen::MatrixXcd m_tmp1 = Eigen::MatrixXcd::Identity(Nblock,Nblock);
// Initial residual computation & set up
std::vector<RealD> residuals(Nblock);
std::vector<RealD> ssq(Nblock);
sliceNorm(ssq,B,Orthog);
RealD sssum=0;
for(int b=0;b<Nblock;b++) sssum+=ssq[b];
for(int b=0;b<Nblock;b++) std::cout << "src["<<b<<"]" << ssq[b] <<std::endl;
sliceNorm(residuals,B,Orthog);
for(int b=0;b<Nblock;b++){ GRID_ASSERT(std::isnan(residuals[b])==0); }
sliceNorm(residuals,X,Orthog);
for(int b=0;b<Nblock;b++){ GRID_ASSERT(std::isnan(residuals[b])==0); }
/************************************************************************
* Block conjugate gradient rQ (Sebastien Birk Thesis, after Dubrulle 2001)
************************************************************************
* Dimensions:
*
* X,B==(Nferm x Nblock)
* A==(Nferm x Nferm)
*
* Nferm = Nspin x Ncolour x Ncomplex x Nlattice_site
*
* QC = R = B-AX, D = Q ; QC => Thin QR factorisation (google it)
* for k:
* Z = AD
* M = [D^dag Z]^{-1}
* X = X + D MC
* QS = Q - ZM
* D = Q + D S^dag
* C = S C
*/
///////////////////////////////////////
// Initial block: initial search dir is guess
///////////////////////////////////////
std::cout << GridLogMessage<<"BlockCGrQ algorithm initialisation " <<std::endl;
//1. QC = R = B-AX, D = Q ; QC => Thin QR factorisation (google it)
Linop.HermOp(X, AD);
tmp = B - AD;
sliceNorm(residuals,tmp,Orthog);
for(int b=0;b<Nblock;b++) std::cout << "res["<<b<<"]" << residuals[b] <<std::endl;
ThinQRfact (m_rr, m_C, m_Cinv, Q, tmp);
D=Q;
std::cout << GridLogMessage<<"BlockCGrQ computed initial residual and QR fact " <<std::endl;
///////////////////////////////////////
// Timers
///////////////////////////////////////
GridStopWatch sliceInnerTimer;
GridStopWatch sliceMaddTimer;
GridStopWatch QRTimer;
GridStopWatch MatrixTimer;
GridStopWatch SolverTimer;
SolverTimer.Start();
RealD max_resid=0;
int k;
for (k = 1; k <= MaxIterations; k++) {
//3. Z = AD
MatrixTimer.Start();
Linop.HermOp(D, Z);
MatrixTimer.Stop();
//4. M = [D^dag Z]^{-1}
sliceInnerTimer.Start();
sliceInnerProductMatrix(m_DZ,D,Z,Orthog);
sliceInnerTimer.Stop();
m_M = m_DZ.inverse();
//5. X = X + D MC
m_tmp = m_M * m_C;
sliceMaddTimer.Start();
sliceMaddMatrix(X,m_tmp, D,X,Orthog);
sliceMaddTimer.Stop();
//6. QS = Q - ZM
sliceMaddTimer.Start();
sliceMaddMatrix(tmp,m_M,Z,Q,Orthog,-1.0);
sliceMaddTimer.Stop();
QRTimer.Start();
ThinQRfact (m_rr, m_S, m_Sinv, Q, tmp);
QRTimer.Stop();
//7. D = Q + D S^dag
m_tmp = m_S.adjoint();
sliceMaddTimer.Start();
sliceMaddMatrix(D,m_tmp,D,Q,Orthog);
sliceMaddTimer.Stop();
//8. C = S C
m_C = m_S*m_C;
/*********************
* convergence monitor
*********************
*/
m_rr = m_C.adjoint() * m_C;
max_resid=0;
RealD rrsum=0;
RealD rr;
for(int b=0;b<Nblock;b++) {
rrsum+=real(m_rr(b,b));
rr = real(m_rr(b,b))/ssq[b];
if ( rr > max_resid ) max_resid = rr;
}
std::cout << GridLogIterative << "\titeration "<<k<<" rr_sum "<<rrsum<<" ssq_sum "<< sssum
<<" ave "<<std::sqrt(rrsum/sssum) << " max "<< max_resid <<std::endl;
if ( max_resid < Tolerance*Tolerance ) {
SolverTimer.Stop();
std::cout << GridLogMessage<<"BlockCGrQ converged in "<<k<<" iterations"<<std::endl;
for(int b=0;b<Nblock;b++){
std::cout << GridLogMessage<< "\t\tblock "<<b<<" computed resid "
<< std::sqrt(real(m_rr(b,b))/ssq[b])<<std::endl;
}
std::cout << GridLogMessage<<"\tMax residual is "<<std::sqrt(max_resid)<<std::endl;
Linop.HermOp(X, AD);
AD = AD-B;
TrueResidual = std::sqrt(norm2(AD)/norm2(B));
std::cout << GridLogMessage <<"\tTrue residual is " << TrueResidual <<std::endl;
std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
std::cout << GridLogMessage << "\tElapsed " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tInnerProd " << sliceInnerTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tMaddMatrix " << sliceMaddTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tThinQRfact " << QRTimer.Elapsed() <<std::endl;
IterationsToComplete = k;
return;
}
}
std::cout << GridLogMessage << "BlockConjugateGradient(rQ) did NOT converge "<<k<<" / "<<MaxIterations
<<" residual "<< std::sqrt(max_resid)<< std::endl;
if (ErrorOnNoConverge) GRID_ASSERT(0);
IterationsToComplete = k;
}
//////////////////////////////////////////////////////////////////////////
// multiRHS conjugate gradient. Dimension zero should be the block direction
// Use this for spread out across nodes
//////////////////////////////////////////////////////////////////////////
void CGmultiRHSsolve(LinearOperatorBase<Field> &Linop, const Field &Src, Field &Psi)
{
int Orthog = blockDim; // First dimension is block dim
Nblock = Src.Grid()->_fdimensions[Orthog];
std::cout<<GridLogMessage<<"MultiRHS Conjugate Gradient : Orthog "<<Orthog<<" Nblock "<<Nblock<<std::endl;
Psi.Checkerboard() = Src.Checkerboard();
conformable(Psi, Src);
Field P(Src);
Field AP(Src);
Field R(Src);
std::vector<ComplexD> v_pAp(Nblock);
std::vector<RealD> v_rr (Nblock);
std::vector<RealD> v_rr_inv(Nblock);
std::vector<RealD> v_alpha(Nblock);
std::vector<RealD> v_beta(Nblock);
// Initial residual computation & set up
std::vector<RealD> residuals(Nblock);
std::vector<RealD> ssq(Nblock);
sliceNorm(ssq,Src,Orthog);
RealD sssum=0;
for(int b=0;b<Nblock;b++) sssum+=ssq[b];
sliceNorm(residuals,Src,Orthog);
for(int b=0;b<Nblock;b++){ GRID_ASSERT(std::isnan(residuals[b])==0); }
sliceNorm(residuals,Psi,Orthog);
for(int b=0;b<Nblock;b++){ GRID_ASSERT(std::isnan(residuals[b])==0); }
// Initial search dir is guess
Linop.HermOp(Psi, AP);
R = Src - AP;
P = R;
sliceNorm(v_rr,R,Orthog);
GridStopWatch sliceInnerTimer;
GridStopWatch sliceMaddTimer;
GridStopWatch sliceNormTimer;
GridStopWatch MatrixTimer;
GridStopWatch SolverTimer;
SolverTimer.Start();
int k;
for (k = 1; k <= MaxIterations; k++) {
RealD rrsum=0;
for(int b=0;b<Nblock;b++) rrsum+=real(v_rr[b]);
std::cout << GridLogIterative << "\titeration "<<k<<" rr_sum "<<rrsum<<" ssq_sum "<< sssum
<<" / "<<std::sqrt(rrsum/sssum) <<std::endl;
MatrixTimer.Start();
Linop.HermOp(P, AP);
MatrixTimer.Stop();
// Alpha
sliceInnerTimer.Start();
sliceInnerProductVector(v_pAp,P,AP,Orthog);
sliceInnerTimer.Stop();
for(int b=0;b<Nblock;b++){
v_alpha[b] = v_rr[b]/real(v_pAp[b]);
}
// Psi, R update
sliceMaddTimer.Start();
sliceMaddVector(Psi,v_alpha, P,Psi,Orthog); // add alpha * P to psi
sliceMaddVector(R ,v_alpha,AP, R,Orthog,-1.0);// sub alpha * AP to resid
sliceMaddTimer.Stop();
// Beta
for(int b=0;b<Nblock;b++){
v_rr_inv[b] = 1.0/v_rr[b];
}
sliceNormTimer.Start();
sliceNorm(v_rr,R,Orthog);
sliceNormTimer.Stop();
for(int b=0;b<Nblock;b++){
v_beta[b] = v_rr_inv[b] *v_rr[b];
}
// Search update
sliceMaddTimer.Start();
sliceMaddVector(P,v_beta,P,R,Orthog);
sliceMaddTimer.Stop();
/*********************
* convergence monitor
*********************
*/
RealD max_resid=0;
for(int b=0;b<Nblock;b++){
RealD rr = v_rr[b]/ssq[b];
if ( rr > max_resid ) max_resid = rr;
}
if ( max_resid < Tolerance*Tolerance ) {
SolverTimer.Stop();
std::cout << GridLogMessage<<"MultiRHS solver converged in " <<k<<" iterations"<<std::endl;
for(int b=0;b<Nblock;b++){
std::cout << GridLogMessage<< "\t\tBlock "<<b<<" computed resid "<< std::sqrt(v_rr[b]/ssq[b])<<std::endl;
}
std::cout << GridLogMessage<<"\tMax residual is "<<std::sqrt(max_resid)<<std::endl;
Linop.HermOp(Psi, AP);
AP = AP-Src;
TrueResidual = std::sqrt(norm2(AP)/norm2(Src));
std::cout <<GridLogMessage << "\tTrue residual is " << TrueResidual <<std::endl;
std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
std::cout << GridLogMessage << "\tElapsed " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tInnerProd " << sliceInnerTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tNorm " << sliceNormTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tMaddMatrix " << sliceMaddTimer.Elapsed() <<std::endl;
IterationsToComplete = k;
return;
}
}
std::cout << GridLogMessage << "MultiRHSConjugateGradient did NOT converge" << std::endl;
if (ErrorOnNoConverge) GRID_ASSERT(0);
IterationsToComplete = k;
}
////////////////////////////////////////////////////////////////////////////
// BlockCGrQvec implementation:
//--------------------------
// X is guess/Solution
// B is RHS
// Solve A X_i = B_i ; i refers to Nblock index
////////////////////////////////////////////////////////////////////////////
void BlockCGrQsolveVec(LinearOperatorBase<Field> &Linop, const std::vector<Field> &B, std::vector<Field> &X)
{
Nblock = B.size();
GRID_ASSERT(Nblock == X.size());
std::cout<<GridLogMessage<<" Block Conjugate Gradient Vec rQ : Nblock "<<Nblock<<std::endl;
for(int b=0;b<Nblock;b++){
X[b].Checkerboard() = B[b].Checkerboard();
conformable(X[b], B[b]);
conformable(X[b], X[0]);
}
Field Fake(B[0]);
std::vector<Field> tmp(Nblock,Fake);
std::vector<Field> Q(Nblock,Fake);
std::vector<Field> D(Nblock,Fake);
std::vector<Field> Z(Nblock,Fake);
std::vector<Field> AD(Nblock,Fake);
Eigen::MatrixXcd m_DZ = Eigen::MatrixXcd::Identity(Nblock,Nblock);
Eigen::MatrixXcd m_M = Eigen::MatrixXcd::Identity(Nblock,Nblock);
Eigen::MatrixXcd m_rr = Eigen::MatrixXcd::Zero(Nblock,Nblock);
Eigen::MatrixXcd m_C = Eigen::MatrixXcd::Zero(Nblock,Nblock);
Eigen::MatrixXcd m_Cinv = Eigen::MatrixXcd::Zero(Nblock,Nblock);
Eigen::MatrixXcd m_S = Eigen::MatrixXcd::Zero(Nblock,Nblock);
Eigen::MatrixXcd m_Sinv = Eigen::MatrixXcd::Zero(Nblock,Nblock);
Eigen::MatrixXcd m_tmp = Eigen::MatrixXcd::Identity(Nblock,Nblock);
Eigen::MatrixXcd m_tmp1 = Eigen::MatrixXcd::Identity(Nblock,Nblock);
// Initial residual computation & set up
std::vector<RealD> residuals(Nblock);
std::vector<RealD> ssq(Nblock);
RealD sssum=0;
for(int b=0;b<Nblock;b++){ ssq[b] = norm2(B[b]);}
for(int b=0;b<Nblock;b++){ std::cout << "ssq["<<b<<"] "<<ssq[b]<<std::endl;}
for(int b=0;b<Nblock;b++) sssum+=ssq[b];
for(int b=0;b<Nblock;b++){ residuals[b] = norm2(B[b]);}
for(int b=0;b<Nblock;b++){ GRID_ASSERT(std::isnan(residuals[b])==0); }
for(int b=0;b<Nblock;b++){ residuals[b] = norm2(X[b]);}
for(int b=0;b<Nblock;b++){ GRID_ASSERT(std::isnan(residuals[b])==0); }
/************************************************************************
* Block conjugate gradient rQ (Sebastien Birk Thesis, after Dubrulle 2001)
************************************************************************
* Dimensions:
*
* X,B==(Nferm x Nblock)
* A==(Nferm x Nferm)
*
* Nferm = Nspin x Ncolour x Ncomplex x Nlattice_site
*
* QC = R = B-AX, D = Q ; QC => Thin QR factorisation (google it)
* for k:
* Z = AD
* M = [D^dag Z]^{-1}
* X = X + D MC
* QS = Q - ZM
* D = Q + D S^dag
* C = S C
*/
///////////////////////////////////////
// Initial block: initial search dir is guess
///////////////////////////////////////
std::cout << GridLogMessage<<"BlockCGrQvec algorithm initialisation " <<std::endl;
//1. QC = R = B-AX, D = Q ; QC => Thin QR factorisation (google it)
for(int b=0;b<Nblock;b++) {
Linop.HermOp(X[b], AD[b]);
tmp[b] = B[b] - AD[b];
std::cout << "r0["<<b<<"] "<<norm2(tmp[b])<<std::endl;
}
ThinQRfact (m_rr, m_C, m_Cinv, Q, tmp);
for(int b=0;b<Nblock;b++) D[b]=Q[b];
std::cout << GridLogMessage<<"BlockCGrQ vec computed initial residual and QR fact " <<std::endl;
///////////////////////////////////////
// Timers
///////////////////////////////////////
GridStopWatch sliceInnerTimer;
GridStopWatch sliceMaddTimer;
GridStopWatch QRTimer;
GridStopWatch MatrixTimer;
GridStopWatch SolverTimer;
SolverTimer.Start();
int k;
for (k = 1; k <= MaxIterations; k++) {
//3. Z = AD
MatrixTimer.Start();
for(int b=0;b<Nblock;b++) Linop.HermOp(D[b], Z[b]);
MatrixTimer.Stop();
//4. M = [D^dag Z]^{-1}
sliceInnerTimer.Start();
InnerProductMatrix(m_DZ,D,Z);
sliceInnerTimer.Stop();
m_M = m_DZ.inverse();
//5. X = X + D MC
m_tmp = m_M * m_C;
sliceMaddTimer.Start();
MaddMatrix(X,m_tmp, D,X);
sliceMaddTimer.Stop();
//6. QS = Q - ZM
sliceMaddTimer.Start();
MaddMatrix(tmp,m_M,Z,Q,-1.0);
sliceMaddTimer.Stop();
QRTimer.Start();
ThinQRfact (m_rr, m_S, m_Sinv, Q, tmp);
QRTimer.Stop();
//7. D = Q + D S^dag
m_tmp = m_S.adjoint();
sliceMaddTimer.Start();
MaddMatrix(D,m_tmp,D,Q);
sliceMaddTimer.Stop();
//8. C = S C
m_C = m_S*m_C;
/*********************
* convergence monitor
*********************
*/
m_rr = m_C.adjoint() * m_C;
RealD max_resid=0;
RealD rrsum=0;
RealD rr;
for(int b=0;b<Nblock;b++) {
rrsum+=real(m_rr(b,b));
rr = real(m_rr(b,b))/ssq[b];
if ( rr > max_resid ) max_resid = rr;
}
std::cout << GridLogIterative << "\t Block Iteration "<<k<<" ave resid "<< std::sqrt(rrsum/sssum) << " max "<< std::sqrt(max_resid) <<std::endl;
if ( max_resid < Tolerance*Tolerance ) {
SolverTimer.Stop();
std::cout << GridLogMessage<<"BlockCGrQ converged in "<<k<<" iterations"<<std::endl;
for(int b=0;b<Nblock;b++){
std::cout << GridLogMessage<< "\t\tblock "<<b<<" computed resid "<< std::sqrt(real(m_rr(b,b))/ssq[b])<<std::endl;
}
std::cout << GridLogMessage<<"\tMax residual is "<<std::sqrt(max_resid)<<std::endl;
for(int b=0;b<Nblock;b++) Linop.HermOp(X[b], AD[b]);
for(int b=0;b<Nblock;b++) AD[b] = AD[b]-B[b];
TrueResidual = std::sqrt(normv(AD)/normv(B));
std::cout << GridLogMessage << "\tTrue residual is " << TrueResidual <<std::endl;
std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
std::cout << GridLogMessage << "\tElapsed " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tInnerProd " << sliceInnerTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tMaddMatrix " << sliceMaddTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tThinQRfact " << QRTimer.Elapsed() <<std::endl;
IterationsToComplete = k;
return;
}
}
std::cout << GridLogMessage << "BlockConjugateGradient(rQ) did NOT converge" << std::endl;
if (ErrorOnNoConverge) GRID_ASSERT(0);
IterationsToComplete = k;
}
};
NAMESPACE_END(Grid);
@@ -1,248 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/CommunicationAvoidingGeneralisedMinimalResidual.h
Copyright (C) 2015
Author: Daniel Richtmann <daniel.richtmann@ur.de>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_COMMUNICATION_AVOIDING_GENERALISED_MINIMAL_RESIDUAL_H
#define GRID_COMMUNICATION_AVOIDING_GENERALISED_MINIMAL_RESIDUAL_H
namespace Grid {
template<class Field>
class CommunicationAvoidingGeneralisedMinimalResidual : public OperatorFunction<Field> {
public:
using OperatorFunction<Field>::operator();
bool ErrorOnNoConverge; // Throw an GRID_ASSERT when CAGMRES fails to converge,
// defaults to true
RealD Tolerance;
Integer MaxIterations;
Integer RestartLength;
Integer MaxNumberOfRestarts;
Integer IterationCount; // Number of iterations the CAGMRES took to finish,
// filled in upon completion
GridStopWatch MatrixTimer;
GridStopWatch LinalgTimer;
GridStopWatch QrTimer;
GridStopWatch CompSolutionTimer;
Eigen::MatrixXcd H;
std::vector<ComplexD> y;
std::vector<ComplexD> gamma;
std::vector<ComplexD> c;
std::vector<ComplexD> s;
CommunicationAvoidingGeneralisedMinimalResidual(RealD tol,
Integer maxit,
Integer restart_length,
bool err_on_no_conv = true)
: Tolerance(tol)
, MaxIterations(maxit)
, RestartLength(restart_length)
, MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
, ErrorOnNoConverge(err_on_no_conv)
, H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
, y(RestartLength + 1, 0.)
, gamma(RestartLength + 1, 0.)
, c(RestartLength + 1, 0.)
, s(RestartLength + 1, 0.) {};
void operator()(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi) {
std::cout << GridLogWarning << "This algorithm currently doesn't differ from regular GMRES" << std::endl;
psi.Checkerboard() = src.Checkerboard();
conformable(psi, src);
RealD guess = norm2(psi);
GRID_ASSERT(std::isnan(guess) == 0);
RealD cp;
RealD ssq = norm2(src);
RealD rsq = Tolerance * Tolerance * ssq;
Field r(src.Grid());
std::cout << std::setprecision(4) << std::scientific;
std::cout << GridLogIterative << "CommunicationAvoidingGeneralisedMinimalResidual: guess " << guess << std::endl;
std::cout << GridLogIterative << "CommunicationAvoidingGeneralisedMinimalResidual: src " << ssq << std::endl;
MatrixTimer.Reset();
LinalgTimer.Reset();
QrTimer.Reset();
CompSolutionTimer.Reset();
GridStopWatch SolverTimer;
SolverTimer.Start();
IterationCount = 0;
for (int k=0; k<MaxNumberOfRestarts; k++) {
cp = outerLoopBody(LinOp, src, psi, rsq);
// Stopping condition
if (cp <= rsq) {
SolverTimer.Stop();
LinOp.Op(psi,r);
axpy(r,-1.0,src,r);
RealD srcnorm = sqrt(ssq);
RealD resnorm = sqrt(norm2(r));
RealD true_residual = resnorm / srcnorm;
std::cout << GridLogMessage << "CommunicationAvoidingGeneralisedMinimalResidual: Converged on iteration " << IterationCount
<< " computed residual " << sqrt(cp / ssq)
<< " true residual " << true_residual
<< " target " << Tolerance << std::endl;
std::cout << GridLogMessage << "CAGMRES Time elapsed: Total " << SolverTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "CAGMRES Time elapsed: Matrix " << MatrixTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "CAGMRES Time elapsed: Linalg " << LinalgTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "CAGMRES Time elapsed: QR " << QrTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "CAGMRES Time elapsed: CompSol " << CompSolutionTimer.Elapsed() << std::endl;
return;
}
}
std::cout << GridLogMessage << "CommunicationAvoidingGeneralisedMinimalResidual did NOT converge" << std::endl;
if (ErrorOnNoConverge)
GRID_ASSERT(0);
}
RealD outerLoopBody(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi, RealD rsq) {
RealD cp = 0;
Field w(src.Grid());
Field r(src.Grid());
// this should probably be made a class member so that it is only allocated once, not in every restart
std::vector<Field> v(RestartLength + 1, src.Grid()); for (auto &elem : v) elem = Zero();
MatrixTimer.Start();
LinOp.Op(psi, w);
MatrixTimer.Stop();
LinalgTimer.Start();
r = src - w;
gamma[0] = sqrt(norm2(r));
ComplexD scale = 1.0/gamma[0];
v[0] = scale * r;
LinalgTimer.Stop();
for (int i=0; i<RestartLength; i++) {
IterationCount++;
arnoldiStep(LinOp, v, w, i);
qrUpdate(i);
cp = norm(gamma[i+1]);
std::cout << GridLogIterative << "CommunicationAvoidingGeneralisedMinimalResidual: Iteration " << IterationCount
<< " residual " << cp << " target " << rsq << std::endl;
if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
computeSolution(v, psi, i);
return cp;
}
}
GRID_ASSERT(0); // Never reached
return cp;
}
void arnoldiStep(LinearOperatorBase<Field> &LinOp, std::vector<Field> &v, Field &w, int iter) {
MatrixTimer.Start();
LinOp.Op(v[iter], w);
MatrixTimer.Stop();
LinalgTimer.Start();
for (int i = 0; i <= iter; ++i) {
H(iter, i) = innerProduct(v[i], w);
w = w - ComplexD(H(iter, i)) * v[i];
}
H(iter, iter + 1) = sqrt(norm2(w));
v[iter + 1] = ComplexD(1. / H(iter, iter + 1)) * w;
LinalgTimer.Stop();
}
void qrUpdate(int iter) {
QrTimer.Start();
for (int i = 0; i < iter ; ++i) {
auto tmp = -s[i] * ComplexD(H(iter, i)) + c[i] * ComplexD(H(iter, i + 1));
H(iter, i) = conjugate(c[i]) * ComplexD(H(iter, i)) + conjugate(s[i]) * ComplexD(H(iter, i + 1));
H(iter, i + 1) = tmp;
}
// Compute new Givens Rotation
auto nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
c[iter] = H(iter, iter) / nu;
s[iter] = H(iter, iter + 1) / nu;
// Apply new Givens rotation
H(iter, iter) = nu;
H(iter, iter + 1) = 0.;
gamma[iter + 1] = -s[iter] * gamma[iter];
gamma[iter] = conjugate(c[iter]) * gamma[iter];
QrTimer.Stop();
}
void computeSolution(std::vector<Field> const &v, Field &psi, int iter) {
CompSolutionTimer.Start();
for (int i = iter; i >= 0; i--) {
y[i] = gamma[i];
for (int k = i + 1; k <= iter; k++)
y[i] = y[i] - ComplexD(H(k, i)) * y[k];
y[i] = y[i] / ComplexD(H(i, i));
}
for (int i = 0; i <= iter; i++)
psi = psi + v[i] * y[i];
CompSolutionTimer.Stop();
}
};
}
#endif
@@ -1,377 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/ConjugateGradient.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: paboyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_CONJUGATE_GRADIENT_H
#define GRID_CONJUGATE_GRADIENT_H
NAMESPACE_BEGIN(Grid);
/////////////////////////////////////////////////////////////
// Base classes for iterative processes based on operators
// single input vec, single output vec.
/////////////////////////////////////////////////////////////
template <class Field>
class ConjugateGradient : public OperatorFunction<Field> {
public:
using OperatorFunction<Field>::operator();
bool ErrorOnNoConverge; // throw an GRID_ASSERT when the CG fails to converge.
// Defaults true.
RealD Tolerance;
Integer MaxIterations;
Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
RealD TrueResidual;
ConjugateGradient(RealD tol, Integer maxit, bool err_on_no_conv = true)
: Tolerance(tol),
MaxIterations(maxit),
ErrorOnNoConverge(err_on_no_conv)
{};
virtual void LogIteration(int k,RealD a,RealD b){
// std::cout << "ConjugageGradient::LogIteration() "<<std::endl;
};
virtual void LogBegin(void){
std::cout << "ConjugageGradient::LogBegin() "<<std::endl;
};
void operator()(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi) {
this->LogBegin();
GRID_TRACE("ConjugateGradient");
GridStopWatch PreambleTimer;
GridStopWatch ConstructTimer;
GridStopWatch NormTimer;
GridStopWatch AssignTimer;
PreambleTimer.Start();
psi.Checkerboard() = src.Checkerboard();
conformable(psi, src);
RealD cp, c, a, d, b, ssq, qq;
//RealD b_pred;
// Was doing copies
ConstructTimer.Start();
Field p (src.Grid());
Field mmp(src.Grid());
Field r (src.Grid());
ConstructTimer.Stop();
// Initial residual computation & set up
NormTimer.Start();
ssq = norm2(src);
RealD guess = norm2(psi);
NormTimer.Stop();
GRID_ASSERT(std::isnan(guess) == 0);
AssignTimer.Start();
if ( guess == 0.0 ) {
r = src;
p = r;
a = ssq;
} else {
Linop.HermOpAndNorm(psi, mmp, d, b);
r = src - mmp;
p = r;
a = norm2(p);
}
cp = a;
AssignTimer.Stop();
// Handle trivial case of zero src
if (ssq == 0.){
psi = Zero();
IterationsToComplete = 1;
TrueResidual = 0.;
return;
}
std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient: guess " << guess << std::endl;
std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient: src " << ssq << std::endl;
std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient: mp " << d << std::endl;
std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient: mmp " << b << std::endl;
std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient: cp,r " << cp << std::endl;
std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient: p " << a << std::endl;
RealD rsq = Tolerance * Tolerance * ssq;
// Check if guess is really REALLY good :)
if (cp <= rsq) {
TrueResidual = std::sqrt(a/ssq);
std::cout << GridLogMessage << "ConjugateGradient guess is converged already " << std::endl;
IterationsToComplete = 0;
return;
}
std::cout << GridLogIterative << std::setprecision(8)
<< "ConjugateGradient: k=0 residual " << cp << " target " << rsq << std::endl;
PreambleTimer.Stop();
GridStopWatch LinalgTimer;
GridStopWatch InnerTimer;
GridStopWatch AxpyNormTimer;
GridStopWatch LinearCombTimer;
GridStopWatch MatrixTimer;
GridStopWatch SolverTimer;
RealD usecs = -usecond();
SolverTimer.Start();
int k;
for (k = 1; k <= MaxIterations; k++) {
GridStopWatch IterationTimer;
IterationTimer.Start();
c = cp;
MatrixTimer.Start();
Linop.HermOp(p, mmp);
MatrixTimer.Stop();
LinalgTimer.Start();
InnerTimer.Start();
ComplexD dc = innerProduct(p,mmp);
InnerTimer.Stop();
d = dc.real();
a = c / d;
AxpyNormTimer.Start();
cp = axpy_norm(r, -a, mmp, r);
AxpyNormTimer.Stop();
b = cp / c;
LinearCombTimer.Start();
{
autoView( psi_v , psi, AcceleratorWrite);
autoView( p_v , p, AcceleratorWrite);
autoView( r_v , r, AcceleratorWrite);
accelerator_for(ss,p_v.size(), Field::vector_object::Nsimd(),{
coalescedWrite(psi_v[ss], a * p_v(ss) + psi_v(ss));
coalescedWrite(p_v[ss] , b * p_v(ss) + r_v (ss));
});
}
LinearCombTimer.Stop();
LinalgTimer.Stop();
LogIteration(k,a,b);
IterationTimer.Stop();
if ( (k % 500) == 0 ) {
std::cout << GridLogMessage << "ConjugateGradient: Iteration " << k
<< " residual " << sqrt(cp/ssq) << " target " << Tolerance << std::endl;
} else {
std::cout << GridLogIterative << "ConjugateGradient: Iteration " << k
<< " residual " << sqrt(cp/ssq) << " target " << Tolerance << " took " << IterationTimer.Elapsed() << std::endl;
}
// Stopping condition
if (cp <= rsq) {
usecs +=usecond();
SolverTimer.Stop();
Linop.HermOpAndNorm(psi, mmp, d, qq);
p = mmp - src;
GridBase *grid = src.Grid();
RealD DwfFlops = (1452. )*grid->gSites()*4*k
+ (8+4+8+4+4)*12*grid->gSites()*k; // CG linear algebra
RealD srcnorm = std::sqrt(norm2(src));
RealD resnorm = std::sqrt(norm2(p));
RealD true_residual = resnorm / srcnorm;
std::cout << GridLogMessage << "ConjugateGradient Converged on iteration " << k
<< "\tComputed residual " << std::sqrt(cp / ssq)
<< "\tTrue residual " << true_residual
<< "\tTarget " << Tolerance << std::endl;
// std::cout << GridLogMessage << "\tPreamble " << PreambleTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tPreamble " << PreambleTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tConstruct " << ConstructTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tNorm " << NormTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tAssign " << AssignTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tSolver " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "Solver breakdown "<<std::endl;
std::cout << GridLogMessage << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tLinalg " << LinalgTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tInner " << InnerTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tAxpyNorm " << AxpyNormTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tLinearComb " << LinearCombTimer.Elapsed() <<std::endl;
std::cout << GridLogDebug << "\tMobius flop rate " << DwfFlops/ usecs<< " Gflops " <<std::endl;
if (ErrorOnNoConverge) GRID_ASSERT(true_residual / Tolerance < 10000.0);
IterationsToComplete = k;
TrueResidual = true_residual;
return;
}
}
// Failed. Calculate true residual before giving up
// Linop.HermOpAndNorm(psi, mmp, d, qq);
// p = mmp - src;
//TrueResidual = sqrt(norm2(p)/ssq);
// TrueResidual = 1;
std::cout << GridLogMessage << "ConjugateGradient did NOT converge "<<k<<" / "<< MaxIterations
<<" residual "<< std::sqrt(cp / ssq)<< std::endl;
SolverTimer.Stop();
std::cout << GridLogMessage << "\tPreamble " << PreambleTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tConstruct " << ConstructTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tNorm " << NormTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tAssign " << AssignTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tSolver " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "Solver breakdown "<<std::endl;
std::cout << GridLogMessage << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage<< "\tLinalg " << LinalgTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\t\tInner " << InnerTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\t\tAxpyNorm " << AxpyNormTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\t\tLinearComb " << LinearCombTimer.Elapsed() <<std::endl;
if (ErrorOnNoConverge) GRID_ASSERT(0);
IterationsToComplete = k;
}
};
template <class Field>
class ConjugateGradientPolynomial : public ConjugateGradient<Field> {
public:
// Optionally record the CG polynomial
std::vector<double> ak;
std::vector<double> bk;
std::vector<double> poly_p;
std::vector<double> poly_r;
std::vector<double> poly_Ap;
std::vector<double> polynomial;
public:
ConjugateGradientPolynomial(RealD tol, Integer maxit, bool err_on_no_conv = true)
: ConjugateGradient<Field>(tol,maxit,err_on_no_conv)
{ };
void PolyHermOp(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi)
{
Field tmp(src.Grid());
Field AtoN(src.Grid());
AtoN = src;
psi=AtoN*polynomial[0];
for(int n=1;n<polynomial.size();n++){
tmp = AtoN;
Linop.HermOp(tmp,AtoN);
psi = psi + polynomial[n]*AtoN;
}
}
void CGsequenceHermOp(LinearOperatorBase<Field> &Linop, const Field &src, Field &x)
{
Field Ap(src.Grid());
Field r(src.Grid());
Field p(src.Grid());
p=src;
r=src;
x=Zero();
x.Checkerboard()=src.Checkerboard();
for(int k=0;k<ak.size();k++){
x = x + ak[k]*p;
Linop.HermOp(p,Ap);
r = r - ak[k] * Ap;
p = r + bk[k] * p;
}
}
void Solve(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi)
{
psi=Zero();
this->operator ()(Linop,src,psi);
}
virtual void LogBegin(void)
{
std::cout << "ConjugageGradientPolynomial::LogBegin() "<<std::endl;
ak.resize(0);
bk.resize(0);
polynomial.resize(0);
poly_Ap.resize(0);
poly_Ap.resize(0);
poly_p.resize(1);
poly_r.resize(1);
poly_p[0]=1.0;
poly_r[0]=1.0;
};
virtual void LogIteration(int k,RealD a,RealD b)
{
// With zero guess,
// p = r = src
//
// iterate:
// x = x + a p
// r = r - a A p
// p = r + b p
//
// [0]
// r = x
// p = x
// Ap=0
//
// [1]
// Ap = A x + 0 ==> shift poly P right by 1 and add 0.
// x = x + a p ==> add polynomials term by term
// r = r - a A p ==> add polynomials term by term
// p = r + b p ==> add polynomials term by term
//
std::cout << "ConjugageGradientPolynomial::LogIteration() "<<k<<std::endl;
ak.push_back(a);
bk.push_back(b);
// Ap= right_shift(p)
poly_Ap.resize(k+1);
poly_Ap[0]=0.0;
for(int i=0;i<k;i++){
poly_Ap[i+1]=poly_p[i];
}
// x = x + a p
polynomial.resize(k);
polynomial[k-1]=0.0;
for(int i=0;i<k;i++){
polynomial[i] = polynomial[i] + a * poly_p[i];
}
// r = r - a Ap
// p = r + b p
poly_r.resize(k+1);
poly_p.resize(k+1);
poly_r[k] = poly_p[k] = 0.0;
for(int i=0;i<k+1;i++){
poly_r[i] = poly_r[i] - a * poly_Ap[i];
poly_p[i] = poly_r[i] + b * poly_p[i];
}
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,170 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/ConjugateGradientMixedPrec.h
Copyright (C) 2015
Author: Christopher Kelly <ckelly@phys.columbia.edu>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_CONJUGATE_GRADIENT_MIXED_PREC_H
#define GRID_CONJUGATE_GRADIENT_MIXED_PREC_H
NAMESPACE_BEGIN(Grid);
//Mixed precision restarted defect correction CG
template<class FieldD,class FieldF,
typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0>
class MixedPrecisionConjugateGradient : public LinearFunction<FieldD> {
public:
using LinearFunction<FieldD>::operator();
RealD Tolerance;
RealD InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
Integer MaxInnerIterations;
Integer MaxOuterIterations;
GridBase* SinglePrecGrid; //Grid for single-precision fields
RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
LinearOperatorBase<FieldF> &Linop_f;
LinearOperatorBase<FieldD> &Linop_d;
Integer TotalInnerIterations; //Number of inner CG iterations
Integer TotalOuterIterations; //Number of restarts
Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
RealD TrueResidual;
//Option to speed up *inner single precision* solves using a LinearFunction that produces a guess
LinearFunction<FieldF> *guesser;
MixedPrecisionConjugateGradient(RealD tol,
Integer maxinnerit,
Integer maxouterit,
GridBase* _sp_grid,
LinearOperatorBase<FieldF> &_Linop_f,
LinearOperatorBase<FieldD> &_Linop_d) :
Linop_f(_Linop_f), Linop_d(_Linop_d),
Tolerance(tol), InnerTolerance(tol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid),
OuterLoopNormMult(100.), guesser(NULL){ };
void useGuesser(LinearFunction<FieldF> &g){
guesser = &g;
}
void operator() (const FieldD &src_d_in, FieldD &sol_d){
std::cout << GridLogMessage << "MixedPrecisionConjugateGradient: Starting mixed precision CG with outer tolerance " << Tolerance << " and inner tolerance " << InnerTolerance << std::endl;
TotalInnerIterations = 0;
GridStopWatch TotalTimer;
TotalTimer.Start();
int cb = src_d_in.Checkerboard();
sol_d.Checkerboard() = cb;
RealD src_norm = norm2(src_d_in);
RealD stop = src_norm * Tolerance*Tolerance;
GridBase* DoublePrecGrid = src_d_in.Grid();
FieldD tmp_d(DoublePrecGrid);
tmp_d.Checkerboard() = cb;
FieldD tmp2_d(DoublePrecGrid);
tmp2_d.Checkerboard() = cb;
FieldD src_d(DoublePrecGrid);
src_d = src_d_in; //source for next inner iteration, computed from residual during operation
RealD inner_tol = InnerTolerance;
FieldF src_f(SinglePrecGrid);
src_f.Checkerboard() = cb;
FieldF sol_f(SinglePrecGrid);
sol_f.Checkerboard() = cb;
std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Starting initial inner CG with tolerance " << inner_tol << std::endl;
ConjugateGradient<FieldF> CG_f(inner_tol, MaxInnerIterations);
CG_f.ErrorOnNoConverge = false;
GridStopWatch InnerCGtimer;
GridStopWatch PrecChangeTimer;
Integer &outer_iter = TotalOuterIterations; //so it will be equal to the final iteration count
precisionChangeWorkspace pc_wk_sp_to_dp(DoublePrecGrid, SinglePrecGrid);
precisionChangeWorkspace pc_wk_dp_to_sp(SinglePrecGrid, DoublePrecGrid);
for(outer_iter = 0; outer_iter < MaxOuterIterations; outer_iter++){
//Compute double precision rsd and also new RHS vector.
Linop_d.HermOp(sol_d, tmp_d);
RealD norm = axpy_norm(src_d, -1., tmp_d, src_d_in); //src_d is residual vector
std::cout<<GridLogMessage<<" rsd norm "<<norm<<std::endl;
std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration " <<outer_iter<<" residual "<< norm<< " target "<< stop<<std::endl;
if(norm < OuterLoopNormMult * stop){
std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration converged on iteration " <<outer_iter <<std::endl;
break;
}
while(norm * inner_tol * inner_tol < stop*1.01) inner_tol *= 2; // inner_tol = sqrt(stop/norm) ??
PrecChangeTimer.Start();
precisionChange(src_f, src_d, pc_wk_dp_to_sp);
PrecChangeTimer.Stop();
sol_f = Zero();
//Optionally improve inner solver guess (eg using known eigenvectors)
if(guesser != NULL)
(*guesser)(src_f, sol_f);
//Inner CG
std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration " << outer_iter << " starting inner CG with tolerance " << inner_tol << std::endl;
CG_f.Tolerance = inner_tol;
InnerCGtimer.Start();
CG_f(Linop_f, src_f, sol_f);
InnerCGtimer.Stop();
TotalInnerIterations += CG_f.IterationsToComplete;
//Convert sol back to double and add to double prec solution
PrecChangeTimer.Start();
precisionChange(tmp_d, sol_f, pc_wk_sp_to_dp);
PrecChangeTimer.Stop();
axpy(sol_d, 1.0, tmp_d, sol_d);
}
//Final trial CG
std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Starting final patch-up double-precision solve"<<std::endl;
ConjugateGradient<FieldD> CG_d(Tolerance, MaxInnerIterations);
CG_d(Linop_d, src_d_in, sol_d);
TotalFinalStepIterations = CG_d.IterationsToComplete;
TrueResidual = CG_d.TrueResidual;
TotalTimer.Stop();
std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Inner CG iterations " << TotalInnerIterations << " Restarts " << TotalOuterIterations << " Final CG iterations " << TotalFinalStepIterations << std::endl;
std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Total time " << TotalTimer.Elapsed() << " Precision change " << PrecChangeTimer.Elapsed() << " Inner CG total " << InnerCGtimer.Elapsed() << std::endl;
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,213 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/ConjugateGradientMixedPrecBatched.h
Copyright (C) 2015
Author: Raoul Hodgson <raoul.hodgson@ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_CONJUGATE_GRADIENT_MIXED_PREC_BATCHED_H
#define GRID_CONJUGATE_GRADIENT_MIXED_PREC_BATCHED_H
NAMESPACE_BEGIN(Grid);
//Mixed precision restarted defect correction CG
template<class FieldD,class FieldF,
typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0>
class MixedPrecisionConjugateGradientBatched : public LinearFunction<FieldD> {
public:
using LinearFunction<FieldD>::operator();
RealD Tolerance;
RealD InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
Integer MaxInnerIterations;
Integer MaxOuterIterations;
Integer MaxPatchupIterations;
GridBase* SinglePrecGrid; //Grid for single-precision fields
RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
LinearOperatorBase<FieldF> &Linop_f;
LinearOperatorBase<FieldD> &Linop_d;
//Option to speed up *inner single precision* solves using a LinearFunction that produces a guess
LinearFunction<FieldF> *guesser;
bool updateResidual;
MixedPrecisionConjugateGradientBatched(RealD tol,
Integer maxinnerit,
Integer maxouterit,
Integer maxpatchit,
GridBase* _sp_grid,
LinearOperatorBase<FieldF> &_Linop_f,
LinearOperatorBase<FieldD> &_Linop_d,
bool _updateResidual=true) :
Linop_f(_Linop_f), Linop_d(_Linop_d),
Tolerance(tol), InnerTolerance(tol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), MaxPatchupIterations(maxpatchit), SinglePrecGrid(_sp_grid),
OuterLoopNormMult(100.), guesser(NULL), updateResidual(_updateResidual) { };
void useGuesser(LinearFunction<FieldF> &g){
guesser = &g;
}
void operator() (const FieldD &src_d_in, FieldD &sol_d){
std::vector<FieldD> srcs_d_in{src_d_in};
std::vector<FieldD> sols_d{sol_d};
(*this)(srcs_d_in,sols_d);
sol_d = sols_d[0];
}
void operator() (const std::vector<FieldD> &src_d_in, std::vector<FieldD> &sol_d){
GRID_ASSERT(src_d_in.size() == sol_d.size());
int NBatch = src_d_in.size();
std::cout << GridLogMessage << "NBatch = " << NBatch << std::endl;
Integer TotalOuterIterations = 0; //Number of restarts
std::vector<Integer> TotalInnerIterations(NBatch,0); //Number of inner CG iterations
std::vector<Integer> TotalFinalStepIterations(NBatch,0); //Number of CG iterations in final patch-up step
GridStopWatch TotalTimer;
TotalTimer.Start();
GridStopWatch InnerCGtimer;
GridStopWatch PrecChangeTimer;
int cb = src_d_in[0].Checkerboard();
std::vector<RealD> src_norm;
std::vector<RealD> norm;
std::vector<RealD> stop;
GridBase* DoublePrecGrid = src_d_in[0].Grid();
FieldD tmp_d(DoublePrecGrid);
tmp_d.Checkerboard() = cb;
FieldD tmp2_d(DoublePrecGrid);
tmp2_d.Checkerboard() = cb;
std::vector<FieldD> src_d;
std::vector<FieldF> src_f;
std::vector<FieldF> sol_f;
for (int i=0; i<NBatch; i++) {
sol_d[i].Checkerboard() = cb;
src_norm.push_back(norm2(src_d_in[i]));
norm.push_back(0.);
stop.push_back(src_norm[i] * Tolerance*Tolerance);
src_d.push_back(src_d_in[i]); //source for next inner iteration, computed from residual during operation
src_f.push_back(SinglePrecGrid);
src_f[i].Checkerboard() = cb;
sol_f.push_back(SinglePrecGrid);
sol_f[i].Checkerboard() = cb;
}
RealD inner_tol = InnerTolerance;
ConjugateGradient<FieldF> CG_f(inner_tol, MaxInnerIterations);
CG_f.ErrorOnNoConverge = false;
Integer &outer_iter = TotalOuterIterations; //so it will be equal to the final iteration count
for(outer_iter = 0; outer_iter < MaxOuterIterations; outer_iter++){
std::cout << GridLogMessage << std::endl;
std::cout << GridLogMessage << "Outer iteration " << outer_iter << std::endl;
bool allConverged = true;
for (int i=0; i<NBatch; i++) {
//Compute double precision rsd and also new RHS vector.
Linop_d.HermOp(sol_d[i], tmp_d);
norm[i] = axpy_norm(src_d[i], -1., tmp_d, src_d_in[i]); //src_d is residual vector
std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradientBatched: Outer iteration " << outer_iter <<" solve " << i << " residual "<< norm[i] << " target "<< stop[i] <<std::endl;
PrecChangeTimer.Start();
precisionChange(src_f[i], src_d[i]);
PrecChangeTimer.Stop();
sol_f[i] = Zero();
if(norm[i] > OuterLoopNormMult * stop[i]) {
allConverged = false;
}
}
if (allConverged) break;
if (updateResidual) {
RealD normMax = *std::max_element(std::begin(norm), std::end(norm));
RealD stopMax = *std::max_element(std::begin(stop), std::end(stop));
while( normMax * inner_tol * inner_tol < stopMax) inner_tol *= 2; // inner_tol = sqrt(stop/norm) ??
CG_f.Tolerance = inner_tol;
}
//Optionally improve inner solver guess (eg using known eigenvectors)
if(guesser != NULL) {
(*guesser)(src_f, sol_f);
}
for (int i=0; i<NBatch; i++) {
//Inner CG
InnerCGtimer.Start();
CG_f(Linop_f, src_f[i], sol_f[i]);
InnerCGtimer.Stop();
TotalInnerIterations[i] += CG_f.IterationsToComplete;
//Convert sol back to double and add to double prec solution
PrecChangeTimer.Start();
precisionChange(tmp_d, sol_f[i]);
PrecChangeTimer.Stop();
axpy(sol_d[i], 1.0, tmp_d, sol_d[i]);
}
}
//Final trial CG
std::cout << GridLogMessage << std::endl;
std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradientBatched: Starting final patch-up double-precision solve"<<std::endl;
for (int i=0; i<NBatch; i++) {
ConjugateGradient<FieldD> CG_d(Tolerance, MaxPatchupIterations);
CG_d(Linop_d, src_d_in[i], sol_d[i]);
TotalFinalStepIterations[i] += CG_d.IterationsToComplete;
}
TotalTimer.Stop();
std::cout << GridLogMessage << std::endl;
for (int i=0; i<NBatch; i++) {
std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradientBatched: solve " << i << " Inner CG iterations " << TotalInnerIterations[i] << " Restarts " << TotalOuterIterations << " Final CG iterations " << TotalFinalStepIterations[i] << std::endl;
}
std::cout << GridLogMessage << std::endl;
std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradientBatched: Total time " << TotalTimer.Elapsed() << " Precision change " << PrecChangeTimer.Elapsed() << " Inner CG total " << InnerCGtimer.Elapsed() << std::endl;
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,346 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/ConjugateGradientMultiShift.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_CONJUGATE_MULTI_SHIFT_GRADIENT_H
#define GRID_CONJUGATE_MULTI_SHIFT_GRADIENT_H
NAMESPACE_BEGIN(Grid);
/////////////////////////////////////////////////////////////
// Base classes for iterative processes based on operators
// single input vec, single output vec.
/////////////////////////////////////////////////////////////
template<class Field>
class ConjugateGradientMultiShift : public OperatorMultiFunction<Field>,
public OperatorFunction<Field>
{
public:
using OperatorFunction<Field>::operator();
// RealD Tolerance;
Integer MaxIterations;
Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
std::vector<int> IterationsToCompleteShift; // Iterations for this shift
int verbose;
MultiShiftFunction shifts;
std::vector<RealD> TrueResidualShift;
ConjugateGradientMultiShift(Integer maxit, const MultiShiftFunction &_shifts) :
MaxIterations(maxit),
shifts(_shifts)
{
verbose=1;
IterationsToCompleteShift.resize(_shifts.order);
TrueResidualShift.resize(_shifts.order);
}
void operator() (LinearOperatorBase<Field> &Linop, const Field &src, Field &psi)
{
GridBase *grid = src.Grid();
int nshift = shifts.order;
std::vector<Field> results(nshift,grid);
(*this)(Linop,src,results,psi);
}
void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector<Field> &results, Field &psi)
{
int nshift = shifts.order;
(*this)(Linop,src,results);
psi = shifts.norm*src;
for(int i=0;i<nshift;i++){
psi = psi + shifts.residues[i]*results[i];
}
return;
}
void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector<Field> &psi)
{
GRID_TRACE("ConjugateGradientMultiShift");
GridBase *grid = src.Grid();
////////////////////////////////////////////////////////////////////////
// Convenience references to the info stored in "MultiShiftFunction"
////////////////////////////////////////////////////////////////////////
int nshift = shifts.order;
std::vector<RealD> &mass(shifts.poles); // Make references to array in "shifts"
std::vector<RealD> &mresidual(shifts.tolerances);
std::vector<RealD> alpha(nshift,1.0);
std::vector<Field> ps(nshift,grid);// Search directions
GRID_ASSERT(psi.size()==nshift);
GRID_ASSERT(mass.size()==nshift);
GRID_ASSERT(mresidual.size()==nshift);
// remove dynamic sized arrays on stack; 2d is a pain with vector
std::vector<RealD> bs(nshift);
std::vector<RealD> rsq(nshift);
std::vector<std::array<RealD,2> > z(nshift);
std::vector<int> converged(nshift);
const int primary =0;
//Primary shift fields CG iteration
RealD a,b,c,d;
RealD cp,bp,qq; //prev
// Matrix mult fields
Field r(grid);
Field p(grid);
Field tmp(grid);
Field mmp(grid);
// Check lightest mass
for(int s=0;s<nshift;s++){
GRID_ASSERT( mass[s]>= mass[primary] );
converged[s]=0;
}
// Wire guess to zero
// Residuals "r" are src
// First search direction "p" is also src
cp = norm2(src);
// Handle trivial case of zero src.
if( cp == 0. ){
for(int s=0;s<nshift;s++){
psi[s] = Zero();
IterationsToCompleteShift[s] = 1;
TrueResidualShift[s] = 0.;
}
return;
}
for(int s=0;s<nshift;s++){
rsq[s] = cp * mresidual[s] * mresidual[s];
std::cout<<GridLogMessage<<"ConjugateGradientMultiShift: shift "<<s
<<" target resid^2 "<<rsq[s]<<std::endl;
ps[s] = src;
}
// r and p for primary
r=src;
p=src;
//MdagM+m[0]
Linop.HermOpAndNorm(p,mmp,d,qq);
axpy(mmp,mass[0],p,mmp);
RealD rn = norm2(p);
d += rn*mass[0];
// have verified that inner product of
// p and mmp is equal to d after this since
// the d computation is tricky
// qq = real(innerProduct(p,mmp));
// std::cout<<GridLogMessage << "debug equal ? qq "<<qq<<" d "<< d<<std::endl;
b = -cp /d;
// Set up the various shift variables
int iz=0;
z[0][1-iz] = 1.0;
z[0][iz] = 1.0;
bs[0] = b;
for(int s=1;s<nshift;s++){
z[s][1-iz] = 1.0;
z[s][iz] = 1.0/( 1.0 - b*(mass[s]-mass[0]));
bs[s] = b*z[s][iz];
}
// r += b[0] A.p[0]
// c= norm(r)
c=axpy_norm(r,b,mmp,r);
for(int s=0;s<nshift;s++) {
axpby(psi[s],0.,-bs[s]*alpha[s],src,src);
}
std::cout << GridLogIterative << "ConjugateGradientMultiShift: initial rn (|src|^2) =" << rn << " qq (|MdagM src|^2) =" << qq << " d ( dot(src, [MdagM + m_0]src) ) =" << d << " c=" << c << std::endl;
///////////////////////////////////////
// Timers
///////////////////////////////////////
GridStopWatch AXPYTimer;
GridStopWatch ShiftTimer;
GridStopWatch QRTimer;
GridStopWatch MatrixTimer;
GridStopWatch SolverTimer;
SolverTimer.Start();
// Iteration loop
int k;
for (k=1;k<=MaxIterations;k++){
a = c /cp;
AXPYTimer.Start();
axpy(p,a,p,r);
AXPYTimer.Stop();
// Note to self - direction ps is iterated seperately
// for each shift. Does not appear to have any scope
// for avoiding linear algebra in "single" case.
//
// However SAME r is used. Could load "r" and update
// ALL ps[s]. 2/3 Bandwidth saving
// New Kernel: Load r, vector of coeffs, vector of pointers ps
AXPYTimer.Start();
for(int s=0;s<nshift;s++){
if ( ! converged[s] ) {
if (s==0){
axpy(ps[s],a,ps[s],r);
} else{
RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
axpby(ps[s],z[s][iz],as,r,ps[s]);
}
}
}
AXPYTimer.Stop();
cp=c;
MatrixTimer.Start();
//Linop.HermOpAndNorm(p,mmp,d,qq); // d is used
// The below is faster on KNL
Linop.HermOp(p,mmp);
d=real(innerProduct(p,mmp));
MatrixTimer.Stop();
AXPYTimer.Start();
axpy(mmp,mass[0],p,mmp);
AXPYTimer.Stop();
RealD rn = norm2(p);
d += rn*mass[0];
bp=b;
b=-cp/d;
AXPYTimer.Start();
c=axpy_norm(r,b,mmp,r);
AXPYTimer.Stop();
// Toggle the recurrence history
bs[0] = b;
iz = 1-iz;
ShiftTimer.Start();
for(int s=1;s<nshift;s++){
if((!converged[s])){
RealD z0 = z[s][1-iz];
RealD z1 = z[s][iz];
z[s][iz] = z0*z1*bp
/ (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b));
bs[s] = b*z[s][iz]/z0; // NB sign rel to Mike
}
}
ShiftTimer.Stop();
for(int s=0;s<nshift;s++){
int ss = s;
// Scope for optimisation here in case of "single".
// Could load psi[0] and pull all ps[s] in.
// if ( single ) ss=primary;
// Bandwith saving in single case is Ls * 3 -> 2+Ls, so ~ 3x saving
// Pipelined CG gain:
//
// New Kernel: Load r, vector of coeffs, vector of pointers ps
// New Kernel: Load psi[0], vector of coeffs, vector of pointers ps
// If can predict the coefficient bs then we can fuse these and avoid write reread cyce
// on ps[s].
// Before: 3 x npole + 3 x npole
// After : 2 x npole (ps[s]) => 3x speed up of multishift CG.
if( (!converged[s]) ) {
axpy(psi[ss],-bs[s]*alpha[s],ps[s],psi[ss]);
}
}
// Convergence checks
int all_converged = 1;
for(int s=0;s<nshift;s++){
if ( (!converged[s]) ){
IterationsToCompleteShift[s] = k;
RealD css = c * z[s][iz]* z[s][iz];
if(css<rsq[s]){
if ( ! converged[s] )
std::cout<<GridLogMessage<<"ConjugateGradientMultiShift k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
converged[s]=1;
} else {
all_converged=0;
}
}
}
if ( all_converged ){
SolverTimer.Stop();
std::cout<<GridLogMessage<< "CGMultiShift: All shifts have converged iteration "<<k<<std::endl;
std::cout<<GridLogMessage<< "CGMultiShift: Checking solutions"<<std::endl;
// Check answers
for(int s=0; s < nshift; s++) {
Linop.HermOpAndNorm(psi[s],mmp,d,qq);
axpy(tmp,mass[s],psi[s],mmp);
axpy(r,-alpha[s],src,tmp);
RealD rn = norm2(r);
RealD cn = norm2(src);
TrueResidualShift[s] = std::sqrt(rn/cn);
std::cout<<GridLogMessage<<"CGMultiShift: shift["<<s<<"] true residual "<< TrueResidualShift[s] <<std::endl;
}
std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
std::cout << GridLogMessage << "\tElapsed " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tAXPY " << AXPYTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tShift " << ShiftTimer.Elapsed() <<std::endl;
IterationsToComplete = k;
return;
}
}
// ugly hack
std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
// GRID_ASSERT(0);
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,373 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/ConjugateGradientMultiShift.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: Christopher Kelly <ckelly@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
//CK 2020: A variant of the multi-shift conjugate gradient with the matrix multiplication in single precision.
//The residual is stored in single precision, but the search directions and solution are stored in double precision.
//Every update_freq iterations the residual is corrected in double precision.
//For safety the a final regular CG is applied to clean up if necessary
//PB Pure single, then double fixup
template<class FieldD, class FieldF,
typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0>
class ConjugateGradientMultiShiftMixedPrecCleanup : public OperatorMultiFunction<FieldD>,
public OperatorFunction<FieldD>
{
public:
using OperatorFunction<FieldD>::operator();
RealD Tolerance;
Integer MaxIterationsMshift;
Integer MaxIterations;
Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
std::vector<int> IterationsToCompleteShift; // Iterations for this shift
int verbose;
MultiShiftFunction shifts;
std::vector<RealD> TrueResidualShift;
int ReliableUpdateFreq; //number of iterations between reliable updates
GridBase* SinglePrecGrid; //Grid for single-precision fields
LinearOperatorBase<FieldF> &Linop_f; //single precision
ConjugateGradientMultiShiftMixedPrecCleanup(Integer maxit, const MultiShiftFunction &_shifts,
GridBase* _SinglePrecGrid, LinearOperatorBase<FieldF> &_Linop_f,
int _ReliableUpdateFreq) :
MaxIterationsMshift(maxit), shifts(_shifts), SinglePrecGrid(_SinglePrecGrid), Linop_f(_Linop_f), ReliableUpdateFreq(_ReliableUpdateFreq),
MaxIterations(20000)
{
verbose=1;
IterationsToCompleteShift.resize(_shifts.order);
TrueResidualShift.resize(_shifts.order);
}
void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, FieldD &psi)
{
GridBase *grid = src.Grid();
int nshift = shifts.order;
std::vector<FieldD> results(nshift,grid);
(*this)(Linop,src,results,psi);
}
void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, std::vector<FieldD> &results, FieldD &psi)
{
int nshift = shifts.order;
(*this)(Linop,src,results);
psi = shifts.norm*src;
for(int i=0;i<nshift;i++){
psi = psi + shifts.residues[i]*results[i];
}
return;
}
void operator() (LinearOperatorBase<FieldD> &Linop_d, const FieldD &src_d, std::vector<FieldD> &psi_d)
{
GRID_TRACE("ConjugateGradientMultiShiftMixedPrecCleanup");
GridBase *DoublePrecGrid = src_d.Grid();
////////////////////////////////////////////////////////////////////////
// Convenience references to the info stored in "MultiShiftFunction"
////////////////////////////////////////////////////////////////////////
int nshift = shifts.order;
std::vector<RealD> &mass(shifts.poles); // Make references to array in "shifts"
std::vector<RealD> &mresidual(shifts.tolerances);
std::vector<RealD> alpha(nshift,1.0);
//Double precision search directions
FieldD p_d(DoublePrecGrid);
std::vector<FieldF> ps_f (nshift, SinglePrecGrid);// Search directions (single precision)
std::vector<FieldF> psi_f(nshift, SinglePrecGrid);// solutions (single precision)
FieldD tmp_d(DoublePrecGrid);
FieldD r_d(DoublePrecGrid);
FieldF r_f(SinglePrecGrid);
FieldD mmp_d(DoublePrecGrid);
GRID_ASSERT(psi_d.size()==nshift);
GRID_ASSERT(mass.size()==nshift);
GRID_ASSERT(mresidual.size()==nshift);
// dynamic sized arrays on stack; 2d is a pain with vector
std::vector<RealD> bs(nshift);
std::vector<RealD> rsq(nshift);
std::vector<RealD> rsqf(nshift);
std::vector<std::array<RealD,2> > z(nshift);
std::vector<int> converged(nshift);
const int primary =0;
//Primary shift fields CG iteration
RealD a,b,c,d;
RealD cp,bp,qq; //prev
// Matrix mult fields
FieldF p_f(SinglePrecGrid);
FieldF mmp_f(SinglePrecGrid);
// Check lightest mass
for(int s=0;s<nshift;s++){
GRID_ASSERT( mass[s]>= mass[primary] );
converged[s]=0;
}
// Wire guess to zero
// Residuals "r" are src
// First search direction "p" is also src
cp = norm2(src_d);
// Handle trivial case of zero src.
if( cp == 0. ){
for(int s=0;s<nshift;s++){
psi_d[s] = Zero();
psi_f[s] = Zero();
IterationsToCompleteShift[s] = 1;
TrueResidualShift[s] = 0.;
}
return;
}
for(int s=0;s<nshift;s++){
rsq[s] = cp * mresidual[s] * mresidual[s];
rsqf[s] =rsq[s];
std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup: shift "<< s <<" target resid "<<rsq[s]<<std::endl;
// ps_d[s] = src_d;
precisionChange(ps_f[s],src_d);
}
// r and p for primary
p_d = src_d; //primary copy --- make this a reference to ps_d to save axpys
r_d = p_d;
//MdagM+m[0]
precisionChange(p_f,p_d);
Linop_f.HermOpAndNorm(p_f,mmp_f,d,qq); // mmp = MdagM p d=real(dot(p, mmp)), qq=norm2(mmp)
precisionChange(tmp_d,mmp_f);
Linop_d.HermOpAndNorm(p_d,mmp_d,d,qq); // mmp = MdagM p d=real(dot(p, mmp)), qq=norm2(mmp)
tmp_d = tmp_d - mmp_d;
std::cout << " Testing operators match "<<norm2(mmp_d)<<" f "<<norm2(mmp_f)<<" diff "<< norm2(tmp_d)<<std::endl;
// GRID_ASSERT(norm2(tmp_d)< 1.0e-4);
axpy(mmp_d,mass[0],p_d,mmp_d);
RealD rn = norm2(p_d);
d += rn*mass[0];
b = -cp /d;
// Set up the various shift variables
int iz=0;
z[0][1-iz] = 1.0;
z[0][iz] = 1.0;
bs[0] = b;
for(int s=1;s<nshift;s++){
z[s][1-iz] = 1.0;
z[s][iz] = 1.0/( 1.0 - b*(mass[s]-mass[0]));
bs[s] = b*z[s][iz];
}
// r += b[0] A.p[0]
// c= norm(r)
c=axpy_norm(r_d,b,mmp_d,r_d);
for(int s=0;s<nshift;s++) {
axpby(psi_d[s],0.,-bs[s]*alpha[s],src_d,src_d);
precisionChange(psi_f[s],psi_d[s]);
}
///////////////////////////////////////
// Timers
///////////////////////////////////////
GridStopWatch AXPYTimer, ShiftTimer, QRTimer, MatrixTimer, SolverTimer, PrecChangeTimer, CleanupTimer;
SolverTimer.Start();
// Iteration loop
int k;
for (k=1;k<=MaxIterationsMshift;k++){
a = c /cp;
AXPYTimer.Start();
axpy(p_d,a,p_d,r_d);
AXPYTimer.Stop();
PrecChangeTimer.Start();
precisionChange(r_f, r_d);
PrecChangeTimer.Stop();
AXPYTimer.Start();
for(int s=0;s<nshift;s++){
if ( ! converged[s] ) {
if (s==0){
axpy(ps_f[s],a,ps_f[s],r_f);
} else{
RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
axpby(ps_f[s],z[s][iz],as,r_f,ps_f[s]);
}
}
}
AXPYTimer.Stop();
cp=c;
PrecChangeTimer.Start();
precisionChange(p_f, p_d); //get back single prec search direction for linop
PrecChangeTimer.Stop();
MatrixTimer.Start();
Linop_f.HermOp(p_f,mmp_f);
MatrixTimer.Stop();
PrecChangeTimer.Start();
precisionChange(mmp_d, mmp_f); // From Float to Double
PrecChangeTimer.Stop();
d=real(innerProduct(p_d,mmp_d));
axpy(mmp_d,mass[0],p_d,mmp_d);
RealD rn = norm2(p_d);
d += rn*mass[0];
bp=b;
b=-cp/d;
// Toggle the recurrence history
bs[0] = b;
iz = 1-iz;
ShiftTimer.Start();
for(int s=1;s<nshift;s++){
if((!converged[s])){
RealD z0 = z[s][1-iz];
RealD z1 = z[s][iz];
z[s][iz] = z0*z1*bp
/ (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b));
bs[s] = b*z[s][iz]/z0; // NB sign rel to Mike
}
}
ShiftTimer.Stop();
//Update single precision solutions
AXPYTimer.Start();
for(int s=0;s<nshift;s++){
int ss = s;
if( (!converged[s]) ) {
axpy(psi_f[ss],-bs[s]*alpha[s],ps_f[s],psi_f[ss]);
}
}
c = axpy_norm(r_d,b,mmp_d,r_d);
AXPYTimer.Stop();
// Convergence checks
int all_converged = 1;
for(int s=0;s<nshift;s++){
if ( (!converged[s]) ){
IterationsToCompleteShift[s] = k;
RealD css = c * z[s][iz]* z[s][iz];
if(css<rsqf[s]){
if ( ! converged[s] )
std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
converged[s]=1;
} else {
all_converged=0;
}
}
}
if ( all_converged || k == MaxIterationsMshift-1){
SolverTimer.Stop();
for(int s=0;s<nshift;s++){
precisionChange(psi_d[s],psi_f[s]);
}
if ( all_converged ){
std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: All shifts have converged iteration "<<k<<std::endl;
std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: Checking solutions"<<std::endl;
} else {
std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: Not all shifts have converged iteration "<<k<<std::endl;
}
// Check answers
for(int s=0; s < nshift; s++) {
Linop_d.HermOpAndNorm(psi_d[s],mmp_d,d,qq);
axpy(tmp_d,mass[s],psi_d[s],mmp_d);
axpy(r_d,-alpha[s],src_d,tmp_d);
RealD rn = norm2(r_d);
RealD cn = norm2(src_d);
TrueResidualShift[s] = std::sqrt(rn/cn);
std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup: shift["<<s<<"] true residual "<< TrueResidualShift[s] << " target " << mresidual[s] << std::endl;
//If we have not reached the desired tolerance, do a (mixed precision) CG cleanup
if(rn >= rsq[s]){
CleanupTimer.Start();
std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup: performing cleanup step for shift " << s << std::endl;
//Setup linear operators for final cleanup
ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldD> Linop_shift_d(Linop_d, mass[s]);
ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldF> Linop_shift_f(Linop_f, mass[s]);
MixedPrecisionConjugateGradient<FieldD,FieldF> cg(mresidual[s], MaxIterations, MaxIterations, SinglePrecGrid, Linop_shift_f, Linop_shift_d);
cg(src_d, psi_d[s]);
TrueResidualShift[s] = cg.TrueResidual;
CleanupTimer.Stop();
}
}
std::cout << GridLogMessage << "ConjugateGradientMultiShiftMixedPrecCleanup: Time Breakdown for body"<<std::endl;
std::cout << GridLogMessage << "\tSolver " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tAXPY " << AXPYTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tShift " << ShiftTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tPrecision Change " << PrecChangeTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tFinal Cleanup " << CleanupTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tSolver+Cleanup " << SolverTimer.Elapsed() + CleanupTimer.Elapsed() << std::endl;
IterationsToComplete = k;
return;
}
}
std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
GRID_ASSERT(0);
}
};
NAMESPACE_END(Grid);
@@ -1,416 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/ConjugateGradientMultiShift.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: Christopher Kelly <ckelly@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_CONJUGATE_GRADIENT_MULTI_SHIFT_MIXEDPREC_H
#define GRID_CONJUGATE_GRADIENT_MULTI_SHIFT_MIXEDPREC_H
NAMESPACE_BEGIN(Grid);
//CK 2020: A variant of the multi-shift conjugate gradient with the matrix multiplication in single precision.
//The residual is stored in single precision, but the search directions and solution are stored in double precision.
//Every update_freq iterations the residual is corrected in double precision.
//For safety the a final regular CG is applied to clean up if necessary
//Linop to add shift to input linop, used in cleanup CG
namespace ConjugateGradientMultiShiftMixedPrecSupport{
template<typename Field>
class ShiftedLinop: public LinearOperatorBase<Field>{
public:
LinearOperatorBase<Field> &linop_base;
RealD shift;
ShiftedLinop(LinearOperatorBase<Field> &_linop_base, RealD _shift): linop_base(_linop_base), shift(_shift){}
void OpDiag (const Field &in, Field &out){ GRID_ASSERT(0); }
void OpDir (const Field &in, Field &out,int dir,int disp){ GRID_ASSERT(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ GRID_ASSERT(0); }
void Op (const Field &in, Field &out){ GRID_ASSERT(0); }
void AdjOp (const Field &in, Field &out){ GRID_ASSERT(0); }
void HermOp(const Field &in, Field &out){
linop_base.HermOp(in, out);
axpy(out, shift, in, out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
};
};
template<class FieldD, class FieldF,
typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0>
class ConjugateGradientMultiShiftMixedPrec : public OperatorMultiFunction<FieldD>,
public OperatorFunction<FieldD>
{
public:
using OperatorFunction<FieldD>::operator();
RealD Tolerance;
Integer MaxIterationsMshift;
Integer MaxIterations;
Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
std::vector<int> IterationsToCompleteShift; // Iterations for this shift
int verbose;
MultiShiftFunction shifts;
std::vector<RealD> TrueResidualShift;
int ReliableUpdateFreq; //number of iterations between reliable updates
GridBase* SinglePrecGrid; //Grid for single-precision fields
LinearOperatorBase<FieldF> &Linop_f; //single precision
ConjugateGradientMultiShiftMixedPrec(Integer maxit, const MultiShiftFunction &_shifts,
GridBase* _SinglePrecGrid, LinearOperatorBase<FieldF> &_Linop_f,
int _ReliableUpdateFreq) :
MaxIterationsMshift(maxit), shifts(_shifts), SinglePrecGrid(_SinglePrecGrid), Linop_f(_Linop_f), ReliableUpdateFreq(_ReliableUpdateFreq),
MaxIterations(20000)
{
verbose=1;
IterationsToCompleteShift.resize(_shifts.order);
TrueResidualShift.resize(_shifts.order);
}
void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, FieldD &psi)
{
GridBase *grid = src.Grid();
int nshift = shifts.order;
std::vector<FieldD> results(nshift,grid);
(*this)(Linop,src,results,psi);
}
void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, std::vector<FieldD> &results, FieldD &psi)
{
int nshift = shifts.order;
(*this)(Linop,src,results);
psi = shifts.norm*src;
for(int i=0;i<nshift;i++){
psi = psi + shifts.residues[i]*results[i];
}
return;
}
void operator() (LinearOperatorBase<FieldD> &Linop_d, const FieldD &src_d, std::vector<FieldD> &psi_d)
{
GRID_TRACE("ConjugateGradientMultiShiftMixedPrec");
GridBase *DoublePrecGrid = src_d.Grid();
precisionChangeWorkspace pc_wk_s_to_d(DoublePrecGrid,SinglePrecGrid);
precisionChangeWorkspace pc_wk_d_to_s(SinglePrecGrid,DoublePrecGrid);
////////////////////////////////////////////////////////////////////////
// Convenience references to the info stored in "MultiShiftFunction"
////////////////////////////////////////////////////////////////////////
int nshift = shifts.order;
std::vector<RealD> &mass(shifts.poles); // Make references to array in "shifts"
std::vector<RealD> &mresidual(shifts.tolerances);
std::vector<RealD> alpha(nshift,1.0);
//Double precision search directions
FieldD p_d(DoublePrecGrid);
std::vector<FieldD> ps_d(nshift, DoublePrecGrid);// Search directions (double precision)
FieldD tmp_d(DoublePrecGrid);
FieldD r_d(DoublePrecGrid);
FieldD mmp_d(DoublePrecGrid);
GRID_ASSERT(psi_d.size()==nshift);
GRID_ASSERT(mass.size()==nshift);
GRID_ASSERT(mresidual.size()==nshift);
// dynamic sized arrays on stack; 2d is a pain with vector
std::vector<RealD> bs(nshift);
std::vector<RealD> rsq(nshift);
std::vector<RealD> rsqf(nshift);
std::vector<std::array<RealD,2> > z(nshift);
std::vector<int> converged(nshift);
const int primary =0;
//Primary shift fields CG iteration
RealD a,b,c,d;
RealD cp,bp,qq; //prev
// Matrix mult fields
FieldF p_f(SinglePrecGrid);
FieldF mmp_f(SinglePrecGrid);
// Check lightest mass
for(int s=0;s<nshift;s++){
GRID_ASSERT( mass[s]>= mass[primary] );
converged[s]=0;
}
// Wire guess to zero
// Residuals "r" are src
// First search direction "p" is also src
cp = norm2(src_d);
// Handle trivial case of zero src.
if( cp == 0. ){
for(int s=0;s<nshift;s++){
psi_d[s] = Zero();
IterationsToCompleteShift[s] = 1;
TrueResidualShift[s] = 0.;
}
return;
}
for(int s=0;s<nshift;s++){
rsq[s] = cp * mresidual[s] * mresidual[s];
rsqf[s] =rsq[s];
std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: shift "<< s <<" target resid "<<rsq[s]<<std::endl;
ps_d[s] = src_d;
}
// r and p for primary
p_d = src_d; //primary copy --- make this a reference to ps_d to save axpys
r_d = p_d;
//MdagM+m[0]
precisionChange(p_f, p_d, pc_wk_d_to_s);
Linop_f.HermOpAndNorm(p_f,mmp_f,d,qq); // mmp = MdagM p d=real(dot(p, mmp)), qq=norm2(mmp)
precisionChange(tmp_d, mmp_f, pc_wk_s_to_d);
Linop_d.HermOpAndNorm(p_d,mmp_d,d,qq); // mmp = MdagM p d=real(dot(p, mmp)), qq=norm2(mmp)
tmp_d = tmp_d - mmp_d;
std::cout << " Testing operators match "<<norm2(mmp_d)<<" f "<<norm2(mmp_f)<<" diff "<< norm2(tmp_d)<<std::endl;
GRID_ASSERT(norm2(tmp_d)< 1.0);
axpy(mmp_d,mass[0],p_d,mmp_d);
RealD rn = norm2(p_d);
d += rn*mass[0];
b = -cp /d;
// Set up the various shift variables
int iz=0;
z[0][1-iz] = 1.0;
z[0][iz] = 1.0;
bs[0] = b;
for(int s=1;s<nshift;s++){
z[s][1-iz] = 1.0;
z[s][iz] = 1.0/( 1.0 - b*(mass[s]-mass[0]));
bs[s] = b*z[s][iz];
}
// r += b[0] A.p[0]
// c= norm(r)
c=axpy_norm(r_d,b,mmp_d,r_d);
for(int s=0;s<nshift;s++) {
axpby(psi_d[s],0.,-bs[s]*alpha[s],src_d,src_d);
}
///////////////////////////////////////
// Timers
///////////////////////////////////////
GridStopWatch AXPYTimer, ShiftTimer, QRTimer, MatrixTimer, SolverTimer, PrecChangeTimer, CleanupTimer;
SolverTimer.Start();
// Iteration loop
int k;
for (k=1;k<=MaxIterationsMshift;k++){
a = c /cp;
AXPYTimer.Start();
axpy(p_d,a,p_d,r_d);
for(int s=0;s<nshift;s++){
if ( ! converged[s] ) {
if (s==0){
axpy(ps_d[s],a,ps_d[s],r_d);
} else{
RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
axpby(ps_d[s],z[s][iz],as,r_d,ps_d[s]);
}
}
}
AXPYTimer.Stop();
PrecChangeTimer.Start();
precisionChange(p_f, p_d, pc_wk_d_to_s); //get back single prec search direction for linop
PrecChangeTimer.Stop();
cp=c;
MatrixTimer.Start();
Linop_f.HermOp(p_f,mmp_f);
MatrixTimer.Stop();
PrecChangeTimer.Start();
precisionChange(mmp_d, mmp_f, pc_wk_s_to_d); // From Float to Double
PrecChangeTimer.Stop();
AXPYTimer.Start();
d=real(innerProduct(p_d,mmp_d));
axpy(mmp_d,mass[0],p_d,mmp_d);
AXPYTimer.Stop();
RealD rn = norm2(p_d);
d += rn*mass[0];
bp=b;
b=-cp/d;
// Toggle the recurrence history
bs[0] = b;
iz = 1-iz;
ShiftTimer.Start();
for(int s=1;s<nshift;s++){
if((!converged[s])){
RealD z0 = z[s][1-iz];
RealD z1 = z[s][iz];
z[s][iz] = z0*z1*bp
/ (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b));
bs[s] = b*z[s][iz]/z0; // NB sign rel to Mike
}
}
ShiftTimer.Stop();
//Update double precision solutions
AXPYTimer.Start();
for(int s=0;s<nshift;s++){
int ss = s;
if( (!converged[s]) ) {
axpy(psi_d[ss],-bs[s]*alpha[s],ps_d[s],psi_d[ss]);
}
}
//Perform reliable update if necessary; otherwise update residual from single-prec mmp
c = axpy_norm(r_d,b,mmp_d,r_d);
AXPYTimer.Stop();
if(k % ReliableUpdateFreq == 0){
RealD c_old = c;
//Replace r with true residual
MatrixTimer.Start();
Linop_d.HermOp(psi_d[0],mmp_d);
MatrixTimer.Stop();
AXPYTimer.Start();
axpy(mmp_d,mass[0],psi_d[0],mmp_d);
c = axpy_norm(r_d, -1.0, mmp_d, src_d);
AXPYTimer.Stop();
std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<< ", replaced |r|^2 = "<<c_old <<" with |r|^2 = "<<c<<std::endl;
}
// Convergence checks
int all_converged = 1;
for(int s=0;s<nshift;s++){
if ( (!converged[s]) ){
IterationsToCompleteShift[s] = k;
RealD css = c * z[s][iz]* z[s][iz];
if(css<rsqf[s]){
if ( ! converged[s] )
std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
converged[s]=1;
} else {
all_converged=0;
}
}
}
if ( all_converged || k == MaxIterationsMshift-1){
SolverTimer.Stop();
if ( all_converged ){
std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: All shifts have converged iteration "<<k<<std::endl;
std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: Checking solutions"<<std::endl;
} else {
std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: Not all shifts have converged iteration "<<k<<std::endl;
}
// Check answers
for(int s=0; s < nshift; s++) {
Linop_d.HermOpAndNorm(psi_d[s],mmp_d,d,qq);
axpy(tmp_d,mass[s],psi_d[s],mmp_d);
axpy(r_d,-alpha[s],src_d,tmp_d);
RealD rn = norm2(r_d);
RealD cn = norm2(src_d);
TrueResidualShift[s] = std::sqrt(rn/cn);
std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: shift["<<s<<"] true residual "<< TrueResidualShift[s] << " target " << mresidual[s] << std::endl;
//If we have not reached the desired tolerance, do a (mixed precision) CG cleanup
if(rn >= rsq[s]){
CleanupTimer.Start();
std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: performing cleanup step for shift " << s << std::endl;
//Setup linear operators for final cleanup
ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldD> Linop_shift_d(Linop_d, mass[s]);
ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldF> Linop_shift_f(Linop_f, mass[s]);
MixedPrecisionConjugateGradient<FieldD,FieldF> cg(mresidual[s], MaxIterations, MaxIterations, SinglePrecGrid, Linop_shift_f, Linop_shift_d);
cg(src_d, psi_d[s]);
TrueResidualShift[s] = cg.TrueResidual;
CleanupTimer.Stop();
}
}
std::cout << GridLogMessage << "ConjugateGradientMultiShiftMixedPrec: Time Breakdown for body"<<std::endl;
std::cout << GridLogMessage << "\tSolver " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tAXPY " << AXPYTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tShift " << ShiftTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tPrecision Change " << PrecChangeTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tFinal Cleanup " << CleanupTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tSolver+Cleanup " << SolverTimer.Elapsed() + CleanupTimer.Elapsed() << std::endl;
IterationsToComplete = k;
return;
}
}
std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
GRID_ASSERT(0);
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,277 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/ConjugateGradientReliableUpdate.h
Copyright (C) 2015
Author: Christopher Kelly <ckelly@phys.columbia.edu>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_CONJUGATE_GRADIENT_RELIABLE_UPDATE_H
#define GRID_CONJUGATE_GRADIENT_RELIABLE_UPDATE_H
NAMESPACE_BEGIN(Grid);
template<class FieldD,class FieldF,
typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0>
class ConjugateGradientReliableUpdate : public LinearFunction<FieldD> {
public:
bool ErrorOnNoConverge; // throw an GRID_ASSERT when the CG fails to converge.
// Defaults true.
RealD Tolerance;
Integer MaxIterations;
Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
Integer ReliableUpdatesPerformed;
bool DoFinalCleanup; //Final DP cleanup, defaults to true
Integer IterationsToCleanup; //Final DP cleanup step iterations
LinearOperatorBase<FieldF> &Linop_f;
LinearOperatorBase<FieldD> &Linop_d;
GridBase* SinglePrecGrid;
RealD Delta; //reliable update parameter. A reliable update is performed when the residual drops by a factor of Delta relative to its value at the last update
//Optional ability to switch to a different linear operator once the tolerance reaches a certain point. Useful for single/half -> single/single
LinearOperatorBase<FieldF> *Linop_fallback;
RealD fallback_transition_tol;
ConjugateGradientReliableUpdate(RealD tol, Integer maxit, RealD _delta, GridBase* _sp_grid, LinearOperatorBase<FieldF> &_Linop_f, LinearOperatorBase<FieldD> &_Linop_d, bool err_on_no_conv = true)
: Tolerance(tol),
MaxIterations(maxit),
Delta(_delta),
Linop_f(_Linop_f),
Linop_d(_Linop_d),
SinglePrecGrid(_sp_grid),
ErrorOnNoConverge(err_on_no_conv),
DoFinalCleanup(true),
Linop_fallback(NULL)
{
GRID_ASSERT(Delta > 0. && Delta < 1. && "Expect 0 < Delta < 1");
};
void setFallbackLinop(LinearOperatorBase<FieldF> &_Linop_fallback, const RealD _fallback_transition_tol){
Linop_fallback = &_Linop_fallback;
fallback_transition_tol = _fallback_transition_tol;
}
void operator()(const FieldD &src, FieldD &psi) {
GRID_TRACE("ConjugateGradientReliableUpdate");
LinearOperatorBase<FieldF> *Linop_f_use = &Linop_f;
bool using_fallback = false;
psi.Checkerboard() = src.Checkerboard();
conformable(psi, src);
RealD cp, c, a, d, b, ssq, qq, b_pred;
FieldD p(src);
FieldD mmp(src);
FieldD r(src);
// Initial residual computation & set up
RealD guess = norm2(psi);
GRID_ASSERT(std::isnan(guess) == 0);
Linop_d.HermOpAndNorm(psi, mmp, d, b);
r = src - mmp;
p = r;
a = norm2(p);
cp = a;
ssq = norm2(src);
std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate: guess " << guess << std::endl;
std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate: src " << ssq << std::endl;
std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate: mp " << d << std::endl;
std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate: mmp " << b << std::endl;
std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate: cp,r " << cp << std::endl;
std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate: p " << a << std::endl;
RealD rsq = Tolerance * Tolerance * ssq;
// Check if guess is really REALLY good :)
if (cp <= rsq) {
std::cout << GridLogMessage << "ConjugateGradientReliableUpdate guess was REALLY good\n";
std::cout << GridLogMessage << "\tComputed residual " << std::sqrt(cp / ssq)<<std::endl;
return;
}
//Single prec initialization
precisionChangeWorkspace pc_wk_sp_to_dp(src.Grid(), SinglePrecGrid);
precisionChangeWorkspace pc_wk_dp_to_sp(SinglePrecGrid, src.Grid());
FieldF r_f(SinglePrecGrid);
r_f.Checkerboard() = r.Checkerboard();
precisionChange(r_f, r, pc_wk_dp_to_sp);
FieldF psi_f(r_f);
psi_f = Zero();
FieldF p_f(r_f);
FieldF mmp_f(r_f);
RealD MaxResidSinceLastRelUp = cp; //initial residual
std::cout << GridLogIterative << std::setprecision(4)
<< "ConjugateGradient: k=0 residual " << cp << " target " << rsq << std::endl;
GridStopWatch LinalgTimer;
GridStopWatch MatrixTimer;
GridStopWatch SolverTimer;
GridStopWatch PrecChangeTimer;
SolverTimer.Start();
int k = 0;
int l = 0;
for (k = 1; k <= MaxIterations; k++) {
c = cp;
MatrixTimer.Start();
Linop_f_use->HermOpAndNorm(p_f, mmp_f, d, qq);
MatrixTimer.Stop();
LinalgTimer.Start();
a = c / d;
b_pred = a * (a * qq - d) / c;
cp = axpy_norm(r_f, -a, mmp_f, r_f);
b = cp / c;
// Fuse these loops ; should be really easy
psi_f = a * p_f + psi_f;
//p_f = p_f * b + r_f;
LinalgTimer.Stop();
std::cout << GridLogIterative << "ConjugateGradientReliableUpdate: Iteration " << k
<< " residual " << cp << " target " << rsq << std::endl;
std::cout << GridLogDebug << "a = "<< a << " b_pred = "<< b_pred << " b = "<< b << std::endl;
std::cout << GridLogDebug << "qq = "<< qq << " d = "<< d << " c = "<< c << std::endl;
if(cp > MaxResidSinceLastRelUp){
std::cout << GridLogIterative << "ConjugateGradientReliableUpdate: updating MaxResidSinceLastRelUp : " << MaxResidSinceLastRelUp << " -> " << cp << std::endl;
MaxResidSinceLastRelUp = cp;
}
// Stopping condition
if (cp <= rsq) {
//Although not written in the paper, I assume that I have to add on the final solution
PrecChangeTimer.Start();
precisionChange(mmp, psi_f, pc_wk_sp_to_dp);
PrecChangeTimer.Stop();
psi = psi + mmp;
SolverTimer.Stop();
Linop_d.HermOpAndNorm(psi, mmp, d, qq);
p = mmp - src;
RealD srcnorm = std::sqrt(norm2(src));
RealD resnorm = std::sqrt(norm2(p));
RealD true_residual = resnorm / srcnorm;
std::cout << GridLogMessage << "ConjugateGradientReliableUpdate Converged on iteration " << k << " after " << l << " reliable updates" << std::endl;
std::cout << GridLogMessage << "\tComputed residual " << std::sqrt(cp / ssq)<<std::endl;
std::cout << GridLogMessage << "\tTrue residual " << true_residual<<std::endl;
std::cout << GridLogMessage << "\tTarget " << Tolerance << std::endl;
std::cout << GridLogMessage << "Time breakdown "<<std::endl;
std::cout << GridLogMessage << "\tElapsed " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tLinalg " << LinalgTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tPrecChange " << PrecChangeTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tPrecChange avg time " << PrecChangeTimer.Elapsed()/(2*l+1) <<std::endl;
IterationsToComplete = k;
ReliableUpdatesPerformed = l;
if(DoFinalCleanup){
//Do a final CG to cleanup
std::cout << GridLogMessage << "ConjugateGradientReliableUpdate performing final cleanup.\n";
ConjugateGradient<FieldD> CG(Tolerance,MaxIterations);
CG.ErrorOnNoConverge = ErrorOnNoConverge;
CG(Linop_d,src,psi);
IterationsToCleanup = CG.IterationsToComplete;
}
else if (ErrorOnNoConverge) GRID_ASSERT(true_residual / Tolerance < 10000.0);
std::cout << GridLogMessage << "ConjugateGradientReliableUpdate complete.\n";
return;
}
else if(cp < Delta * MaxResidSinceLastRelUp) { //reliable update
std::cout << GridLogMessage << "ConjugateGradientReliableUpdate "
<< cp << "(residual) < " << Delta << "(Delta) * " << MaxResidSinceLastRelUp << "(MaxResidSinceLastRelUp) on iteration " << k << " : performing reliable update\n";
PrecChangeTimer.Start();
precisionChange(mmp, psi_f, pc_wk_sp_to_dp);
PrecChangeTimer.Stop();
psi = psi + mmp;
MatrixTimer.Start();
Linop_d.HermOpAndNorm(psi, mmp, d, qq);
MatrixTimer.Stop();
r = src - mmp;
psi_f = Zero();
PrecChangeTimer.Start();
precisionChange(r_f, r, pc_wk_dp_to_sp);
PrecChangeTimer.Stop();
cp = norm2(r);
MaxResidSinceLastRelUp = cp;
b = cp/c;
std::cout << GridLogMessage << "ConjugateGradientReliableUpdate new residual " << cp << std::endl;
l = l+1;
}
p_f = p_f * b + r_f; //update search vector after reliable update appears to help convergence
if(!using_fallback && Linop_fallback != NULL && cp < fallback_transition_tol){
std::cout << GridLogMessage << "ConjugateGradientReliableUpdate switching to fallback linear operator on iteration " << k << " at residual " << cp << std::endl;
Linop_f_use = Linop_fallback;
using_fallback = true;
}
}
std::cout << GridLogMessage << "ConjugateGradientReliableUpdate did NOT converge"
<< std::endl;
if (ErrorOnNoConverge) GRID_ASSERT(0);
IterationsToComplete = k;
ReliableUpdatesPerformed = l;
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,113 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/ConjugateResidual.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_CONJUGATE_RESIDUAL_H
#define GRID_CONJUGATE_RESIDUAL_H
NAMESPACE_BEGIN(Grid);
/////////////////////////////////////////////////////////////
// Base classes for iterative processes based on operators
// single input vec, single output vec.
/////////////////////////////////////////////////////////////
template<class Field>
class ConjugateResidual : public OperatorFunction<Field> {
public:
using OperatorFunction<Field>::operator();
RealD Tolerance;
Integer MaxIterations;
int verbose;
ConjugateResidual(RealD tol,Integer maxit) : Tolerance(tol), MaxIterations(maxit) {
verbose=0;
};
void operator() (LinearOperatorBase<Field> &Linop,const Field &src, Field &psi){
RealD a, b; // c, d;
RealD cp, ssq,rsq;
RealD rAr, rAAr, rArp;
RealD pAp, pAAp;
GridBase *grid = src.Grid();
psi=Zero();
Field r(grid), p(grid), Ap(grid), Ar(grid);
r=src;
p=src;
Linop.HermOpAndNorm(p,Ap,pAp,pAAp);
Linop.HermOpAndNorm(r,Ar,rAr,rAAr);
cp =norm2(r);
ssq=norm2(src);
rsq=Tolerance*Tolerance*ssq;
if (verbose) std::cout<<GridLogMessage<<"ConjugateResidual: iteration " <<0<<" residual "<<cp<< " target"<< rsq<<std::endl;
for(int k=1;k<MaxIterations;k++){
a = rAr/pAAp;
axpy(psi,a,p,psi);
cp = axpy_norm(r,-a,Ap,r);
rArp=rAr;
Linop.HermOpAndNorm(r,Ar,rAr,rAAr);
b =rAr/rArp;
axpy(p,b,p,r);
pAAp=axpy_norm(Ap,b,Ap,Ar);
if(verbose) std::cout<<GridLogMessage<<"ConjugateResidual: iteration " <<k<<" residual "<<cp<< " target"<< rsq<<std::endl;
if(cp<rsq) {
Linop.HermOp(psi,Ap);
axpy(r,-1.0,src,Ap);
RealD true_resid = norm2(r)/ssq;
std::cout<<GridLogMessage<<"ConjugateResidual: Converged on iteration " <<k
<< " computed residual "<<std::sqrt(cp/ssq)
<< " true residual "<<std::sqrt(true_resid)
<< " target " <<Tolerance <<std::endl;
return;
}
}
std::cout<<GridLogMessage<<"ConjugateResidual did NOT converge"<<std::endl;
GRID_ASSERT(0);
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,258 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/FlexibleCommunicationAvoidingGeneralisedMinimalResidual.h
Copyright (C) 2015
Author: Daniel Richtmann <daniel.richtmann@ur.de>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_FLEXIBLE_COMMUNICATION_AVOIDING_GENERALISED_MINIMAL_RESIDUAL_H
#define GRID_FLEXIBLE_COMMUNICATION_AVOIDING_GENERALISED_MINIMAL_RESIDUAL_H
namespace Grid {
template<class Field>
class FlexibleCommunicationAvoidingGeneralisedMinimalResidual : public OperatorFunction<Field> {
public:
using OperatorFunction<Field>::operator();
bool ErrorOnNoConverge; // Throw an GRID_ASSERT when FCAGMRES fails to converge,
// defaults to true
RealD Tolerance;
Integer MaxIterations;
Integer RestartLength;
Integer MaxNumberOfRestarts;
Integer IterationCount; // Number of iterations the FCAGMRES took to finish,
// filled in upon completion
GridStopWatch MatrixTimer;
GridStopWatch PrecTimer;
GridStopWatch LinalgTimer;
GridStopWatch QrTimer;
GridStopWatch CompSolutionTimer;
Eigen::MatrixXcd H;
std::vector<ComplexD> y;
std::vector<ComplexD> gamma;
std::vector<ComplexD> c;
std::vector<ComplexD> s;
LinearFunction<Field> &Preconditioner;
FlexibleCommunicationAvoidingGeneralisedMinimalResidual(RealD tol,
Integer maxit,
LinearFunction<Field> &Prec,
Integer restart_length,
bool err_on_no_conv = true)
: Tolerance(tol)
, MaxIterations(maxit)
, RestartLength(restart_length)
, MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
, ErrorOnNoConverge(err_on_no_conv)
, H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
, y(RestartLength + 1, 0.)
, gamma(RestartLength + 1, 0.)
, c(RestartLength + 1, 0.)
, s(RestartLength + 1, 0.)
, Preconditioner(Prec) {};
void operator()(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi) {
std::cout << GridLogWarning << "This algorithm currently doesn't differ from regular FGMRES" << std::endl;
psi.Checkerboard() = src.Checkerboard();
conformable(psi, src);
RealD guess = norm2(psi);
GRID_ASSERT(std::isnan(guess) == 0);
RealD cp;
RealD ssq = norm2(src);
RealD rsq = Tolerance * Tolerance * ssq;
Field r(src.Grid());
std::cout << std::setprecision(4) << std::scientific;
std::cout << GridLogIterative << "FlexibleCommunicationAvoidingGeneralisedMinimalResidual: guess " << guess << std::endl;
std::cout << GridLogIterative << "FlexibleCommunicationAvoidingGeneralisedMinimalResidual: src " << ssq << std::endl;
PrecTimer.Reset();
MatrixTimer.Reset();
LinalgTimer.Reset();
QrTimer.Reset();
CompSolutionTimer.Reset();
GridStopWatch SolverTimer;
SolverTimer.Start();
IterationCount = 0;
for (int k=0; k<MaxNumberOfRestarts; k++) {
cp = outerLoopBody(LinOp, src, psi, rsq);
// Stopping condition
if (cp <= rsq) {
SolverTimer.Stop();
LinOp.Op(psi,r);
axpy(r,-1.0,src,r);
RealD srcnorm = sqrt(ssq);
RealD resnorm = sqrt(norm2(r));
RealD true_residual = resnorm / srcnorm;
std::cout << GridLogMessage << "FlexibleCommunicationAvoidingGeneralisedMinimalResidual: Converged on iteration " << IterationCount
<< " computed residual " << sqrt(cp / ssq)
<< " true residual " << true_residual
<< " target " << Tolerance << std::endl;
std::cout << GridLogMessage << "FCAGMRES Time elapsed: Total " << SolverTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "FCAGMRES Time elapsed: Precon " << PrecTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "FCAGMRES Time elapsed: Matrix " << MatrixTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "FCAGMRES Time elapsed: Linalg " << LinalgTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "FCAGMRES Time elapsed: QR " << QrTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "FCAGMRES Time elapsed: CompSol " << CompSolutionTimer.Elapsed() << std::endl;
return;
}
}
std::cout << GridLogMessage << "FlexibleCommunicationAvoidingGeneralisedMinimalResidual did NOT converge" << std::endl;
if (ErrorOnNoConverge)
GRID_ASSERT(0);
}
RealD outerLoopBody(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi, RealD rsq) {
RealD cp = 0;
Field w(src.Grid());
Field r(src.Grid());
// these should probably be made class members so that they are only allocated once, not in every restart
std::vector<Field> v(RestartLength + 1, src.Grid()); for (auto &elem : v) elem = Zero();
std::vector<Field> z(RestartLength + 1, src.Grid()); for (auto &elem : z) elem = Zero();
MatrixTimer.Start();
LinOp.Op(psi, w);
MatrixTimer.Stop();
LinalgTimer.Start();
r = src - w;
gamma[0] = sqrt(norm2(r));
v[0] = (1. / gamma[0]) * r;
LinalgTimer.Stop();
for (int i=0; i<RestartLength; i++) {
IterationCount++;
arnoldiStep(LinOp, v, z, w, i);
qrUpdate(i);
cp = norm(gamma[i+1]);
std::cout << GridLogIterative << "FlexibleCommunicationAvoidingGeneralisedMinimalResidual: Iteration " << IterationCount
<< " residual " << cp << " target " << rsq << std::endl;
if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
computeSolution(z, psi, i);
return cp;
}
}
GRID_ASSERT(0); // Never reached
return cp;
}
void arnoldiStep(LinearOperatorBase<Field> &LinOp, std::vector<Field> &v, std::vector<Field> &z, Field &w, int iter) {
PrecTimer.Start();
Preconditioner(v[iter], z[iter]);
PrecTimer.Stop();
MatrixTimer.Start();
LinOp.Op(z[iter], w);
MatrixTimer.Stop();
LinalgTimer.Start();
for (int i = 0; i <= iter; ++i) {
H(iter, i) = innerProduct(v[i], w);
w = w - ComplexD(H(iter, i)) * v[i];
}
H(iter, iter + 1) = sqrt(norm2(w));
v[iter + 1] = ComplexD(1. / H(iter, iter + 1)) * w;
LinalgTimer.Stop();
}
void qrUpdate(int iter) {
QrTimer.Start();
for (int i = 0; i < iter ; ++i) {
auto tmp = -s[i] * ComplexD(H(iter, i)) + c[i] * ComplexD(H(iter, i + 1));
H(iter, i) = conjugate(c[i]) * ComplexD(H(iter, i)) + conjugate(s[i]) * ComplexD(H(iter, i + 1));
H(iter, i + 1) = tmp;
}
// Compute new Givens Rotation
auto nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
c[iter] = H(iter, iter) / nu;
s[iter] = H(iter, iter + 1) / nu;
// Apply new Givens rotation
H(iter, iter) = nu;
H(iter, iter + 1) = 0.;
gamma[iter + 1] = -s[iter] * gamma[iter];
gamma[iter] = conjugate(c[iter]) * gamma[iter];
QrTimer.Stop();
}
void computeSolution(std::vector<Field> const &z, Field &psi, int iter) {
CompSolutionTimer.Start();
for (int i = iter; i >= 0; i--) {
y[i] = gamma[i];
for (int k = i + 1; k <= iter; k++)
y[i] = y[i] - ComplexD(H(k, i)) * y[k];
y[i] = y[i] / ComplexD(H(i, i));
}
for (int i = 0; i <= iter; i++)
psi = psi + z[i] * y[i];
CompSolutionTimer.Stop();
}
};
}
#endif
@@ -1,256 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/FlexibleGeneralisedMinimalResidual.h
Copyright (C) 2015
Author: Daniel Richtmann <daniel.richtmann@ur.de>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
#define GRID_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
namespace Grid {
template<class Field>
class FlexibleGeneralisedMinimalResidual : public OperatorFunction<Field> {
public:
using OperatorFunction<Field>::operator();
bool ErrorOnNoConverge; // Throw an GRID_ASSERT when FGMRES fails to converge,
// defaults to true
RealD Tolerance;
Integer MaxIterations;
Integer RestartLength;
Integer MaxNumberOfRestarts;
Integer IterationCount; // Number of iterations the FGMRES took to finish,
// filled in upon completion
GridStopWatch MatrixTimer;
GridStopWatch PrecTimer;
GridStopWatch LinalgTimer;
GridStopWatch QrTimer;
GridStopWatch CompSolutionTimer;
Eigen::MatrixXcd H;
std::vector<ComplexD> y;
std::vector<ComplexD> gamma;
std::vector<ComplexD> c;
std::vector<ComplexD> s;
LinearFunction<Field> &Preconditioner;
FlexibleGeneralisedMinimalResidual(RealD tol,
Integer maxit,
LinearFunction<Field> &Prec,
Integer restart_length,
bool err_on_no_conv = true)
: Tolerance(tol)
, MaxIterations(maxit)
, RestartLength(restart_length)
, MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
, ErrorOnNoConverge(err_on_no_conv)
, H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
, y(RestartLength + 1, 0.)
, gamma(RestartLength + 1, 0.)
, c(RestartLength + 1, 0.)
, s(RestartLength + 1, 0.)
, Preconditioner(Prec) {};
void operator()(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi) {
psi.Checkerboard() = src.Checkerboard();
conformable(psi, src);
RealD guess = norm2(psi);
GRID_ASSERT(std::isnan(guess) == 0);
RealD cp;
RealD ssq = norm2(src);
RealD rsq = Tolerance * Tolerance * ssq;
Field r(src.Grid());
std::cout << std::setprecision(4) << std::scientific;
std::cout << GridLogIterative << "FlexibleGeneralisedMinimalResidual: guess " << guess << std::endl;
std::cout << GridLogIterative << "FlexibleGeneralisedMinimalResidual: src " << ssq << std::endl;
PrecTimer.Reset();
MatrixTimer.Reset();
LinalgTimer.Reset();
QrTimer.Reset();
CompSolutionTimer.Reset();
GridStopWatch SolverTimer;
SolverTimer.Start();
IterationCount = 0;
for (int k=0; k<MaxNumberOfRestarts; k++) {
cp = outerLoopBody(LinOp, src, psi, rsq);
// Stopping condition
if (cp <= rsq) {
SolverTimer.Stop();
LinOp.Op(psi,r);
axpy(r,-1.0,src,r);
RealD srcnorm = sqrt(ssq);
RealD resnorm = sqrt(norm2(r));
RealD true_residual = resnorm / srcnorm;
std::cout << GridLogMessage << "FlexibleGeneralisedMinimalResidual: Converged on iteration " << IterationCount
<< " computed residual " << sqrt(cp / ssq)
<< " true residual " << true_residual
<< " target " << Tolerance << std::endl;
std::cout << GridLogMessage << "FGMRES Time elapsed: Total " << SolverTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "FGMRES Time elapsed: Precon " << PrecTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "FGMRES Time elapsed: Matrix " << MatrixTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "FGMRES Time elapsed: Linalg " << LinalgTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "FGMRES Time elapsed: QR " << QrTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "FGMRES Time elapsed: CompSol " << CompSolutionTimer.Elapsed() << std::endl;
return;
}
}
std::cout << GridLogMessage << "FlexibleGeneralisedMinimalResidual did NOT converge" << std::endl;
if (ErrorOnNoConverge)
GRID_ASSERT(0);
}
RealD outerLoopBody(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi, RealD rsq) {
RealD cp = 0;
Field w(src.Grid());
Field r(src.Grid());
// these should probably be made class members so that they are only allocated once, not in every restart
std::vector<Field> v(RestartLength + 1, src.Grid()); for (auto &elem : v) elem = Zero();
std::vector<Field> z(RestartLength + 1, src.Grid()); for (auto &elem : z) elem = Zero();
MatrixTimer.Start();
LinOp.Op(psi, w);
MatrixTimer.Stop();
LinalgTimer.Start();
r = src - w;
gamma[0] = sqrt(norm2(r));
v[0] = (1. / gamma[0]) * r;
LinalgTimer.Stop();
for (int i=0; i<RestartLength; i++) {
IterationCount++;
arnoldiStep(LinOp, v, z, w, i);
qrUpdate(i);
cp = norm(gamma[i+1]);
std::cout << GridLogIterative << "FlexibleGeneralisedMinimalResidual: Iteration " << IterationCount
<< " residual " << cp << " target " << rsq << std::endl;
if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
computeSolution(z, psi, i);
return cp;
}
}
GRID_ASSERT(0); // Never reached
return cp;
}
void arnoldiStep(LinearOperatorBase<Field> &LinOp, std::vector<Field> &v, std::vector<Field> &z, Field &w, int iter) {
PrecTimer.Start();
Preconditioner(v[iter], z[iter]);
PrecTimer.Stop();
MatrixTimer.Start();
LinOp.Op(z[iter], w);
MatrixTimer.Stop();
LinalgTimer.Start();
for (int i = 0; i <= iter; ++i) {
H(iter, i) = innerProduct(v[i], w);
w = w - ComplexD(H(iter, i)) * v[i];
}
H(iter, iter + 1) = sqrt(norm2(w));
v[iter + 1] = ComplexD(1. / H(iter, iter + 1)) * w;
LinalgTimer.Stop();
}
void qrUpdate(int iter) {
QrTimer.Start();
for (int i = 0; i < iter ; ++i) {
auto tmp = -s[i] * ComplexD(H(iter, i)) + c[i] * ComplexD(H(iter, i + 1));
H(iter, i) = conjugate(c[i]) * ComplexD(H(iter, i)) + conjugate(s[i]) * ComplexD(H(iter, i + 1));
H(iter, i + 1) = tmp;
}
// Compute new Givens Rotation
auto nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
c[iter] = H(iter, iter) / nu;
s[iter] = H(iter, iter + 1) / nu;
// Apply new Givens rotation
H(iter, iter) = nu;
H(iter, iter + 1) = 0.;
gamma[iter + 1] = -s[iter] * gamma[iter];
gamma[iter] = conjugate(c[iter]) * gamma[iter];
QrTimer.Stop();
}
void computeSolution(std::vector<Field> const &z, Field &psi, int iter) {
CompSolutionTimer.Start();
for (int i = iter; i >= 0; i--) {
y[i] = gamma[i];
for (int k = i + 1; k <= iter; k++)
y[i] = y[i] - ComplexD(H(k, i)) * y[k];
y[i] = y[i] / ComplexD(H(i, i));
}
for (int i = 0; i <= iter; i++)
psi = psi + z[i] * y[i];
CompSolutionTimer.Stop();
}
};
}
#endif
@@ -1,87 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./Grid/algorithms/iterative/GCRCoefficients.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
//////////////////////////////////////////////////////////////////////////////
// Recorded GCR coefficients: per-step means over calls of the step length
// a_k and the orthogonalisation coefficients b_kj (already scaled and
// signed as applied: p_{k+1} = r + sum_j b_kj p_{k-j}).
//////////////////////////////////////////////////////////////////////////////
struct GCRCoefficients {
int mmax = 0;
// Every recorded call is kept: calls[c] = list of (a_k, [b_kj]) per step.
// A(k)/B(k,j) return the coefficients of the SELECTED call: by default the
// last complete one. Selection "mean" averages coefficients over calls --
// kept for comparison only: the mean of the coefficients of a nonlinear
// recurrence is not the mean of the polynomials, and in practice (Frontier
// M3, 2026-08-26) it was worse than every individual call.
enum Select { Last=0, First=1, Index=2, Mean=3 };
Select select = Last;
int index = 0;
typedef std::vector<std::pair<ComplexD,std::vector<ComplexD> > > Call;
std::vector<Call> calls;
Call current;
void RecordA(int k, ComplexD a){
if ( k==0 && current.size() ) { calls.push_back(current); current.clear(); }
if ( (int)current.size() <= k ) current.resize(k+1);
current[k].first = a;
}
void RecordB(int k, const std::vector<ComplexD> &b){
if ( (int)current.size() <= k ) current.resize(k+1);
current[k].second = b;
}
void Flush(void){ if ( current.size() ) { calls.push_back(current); current.clear(); } }
int Calls(void) const { return calls.size() + (current.size() ? 1 : 0); }
const Call & Chosen(void) const {
GRID_ASSERT( calls.size() || current.size() );
if ( calls.empty() ) return current;
if ( select==First ) return calls.front();
if ( select==Index ) { GRID_ASSERT(index>=0 && index<(int)calls.size()); return calls[index]; }
return calls.back();
}
int Steps(void) const { return select==Mean ? MeanSteps() : Chosen().size(); }
int NB(int k) const { return select==Mean ? MeanNB(k) : Chosen()[k].second.size(); }
ComplexD A(int k) const { return select==Mean ? MeanA(k) : Chosen()[k].first; }
ComplexD B(int k,int j) const { return select==Mean ? MeanB(k,j) : Chosen()[k].second[j]; }
// mean over calls (comparison only)
int MeanSteps(void) const { int m=0; for(auto &c:calls) m = std::max(m,(int)c.size()); return m; }
int MeanNB(int k) const { int m=0; for(auto &c:calls) if(k<(int)c.size()) m = std::max(m,(int)c[k].second.size()); return m; }
ComplexD MeanA(int k) const { ComplexD s(0.0); int n=0; for(auto &c:calls) if(k<(int)c.size()){ s+=c[k].first; n++; } return s/(double)n; }
ComplexD MeanB(int k,int j) const { ComplexD s(0.0); int n=0; for(auto &c:calls) if(k<(int)c.size() && j<(int)c[k].second.size()){ s+=c[k].second[j]; n++; } return s/(double)n; }
void Report(const std::string &name) const {
const char *sel[4]={"last","first","index","mean"};
std::cout << GridLogMessage << "GCRCoefficients " << name << ": " << Calls() << " calls, " << Steps() << " steps, mmax " << mmax
<< ", selection " << sel[select] << std::endl;
for(int k=0;k<Steps();k++){
std::cout << GridLogMessage << " step " << k << " a=(" << real(A(k)) << "," << imag(A(k)) << ")";
for(int j=0;j<NB(k);j++) std::cout << " b[" << j << "]=(" << real(B(k,j)) << "," << imag(B(k,j)) << ")";
// spread of a_k across calls: how different the individual polynomials are
if ( calls.size()>1 ) {
RealD lo=1e300, hi=0; for(auto &c:calls) if(k<(int)c.size()){ RealD x=real(c[k].first), y=imag(c[k].first); RealD m=std::sqrt(x*x+y*y); lo=std::min(lo,m); hi=std::max(hi,m); }
std::cout << " |a| over calls [" << lo << "," << hi << "]";
}
std::cout << std::endl;
}
}
};
NAMESPACE_END(Grid);
@@ -1,244 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/GeneralisedMinimalResidual.h
Copyright (C) 2015
Author: Daniel Richtmann <daniel.richtmann@ur.de>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_GENERALISED_MINIMAL_RESIDUAL_H
#define GRID_GENERALISED_MINIMAL_RESIDUAL_H
namespace Grid {
template<class Field>
class GeneralisedMinimalResidual : public OperatorFunction<Field> {
public:
using OperatorFunction<Field>::operator();
bool ErrorOnNoConverge; // Throw an GRID_ASSERT when GMRES fails to converge,
// defaults to true
RealD Tolerance;
Integer MaxIterations;
Integer RestartLength;
Integer MaxNumberOfRestarts;
Integer IterationCount; // Number of iterations the GMRES took to finish,
// filled in upon completion
GridStopWatch MatrixTimer;
GridStopWatch LinalgTimer;
GridStopWatch QrTimer;
GridStopWatch CompSolutionTimer;
Eigen::MatrixXcd H;
std::vector<ComplexD> y;
std::vector<ComplexD> gamma;
std::vector<ComplexD> c;
std::vector<ComplexD> s;
GeneralisedMinimalResidual(RealD tol,
Integer maxit,
Integer restart_length,
bool err_on_no_conv = true)
: Tolerance(tol)
, MaxIterations(maxit)
, RestartLength(restart_length)
, MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
, ErrorOnNoConverge(err_on_no_conv)
, H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
, y(RestartLength + 1, 0.)
, gamma(RestartLength + 1, 0.)
, c(RestartLength + 1, 0.)
, s(RestartLength + 1, 0.) {};
void operator()(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi) {
psi.Checkerboard() = src.Checkerboard();
conformable(psi, src);
RealD guess = norm2(psi);
GRID_ASSERT(std::isnan(guess) == 0);
RealD cp;
RealD ssq = norm2(src);
RealD rsq = Tolerance * Tolerance * ssq;
Field r(src.Grid());
std::cout << std::setprecision(4) << std::scientific;
std::cout << GridLogIterative << "GeneralisedMinimalResidual: guess " << guess << std::endl;
std::cout << GridLogIterative << "GeneralisedMinimalResidual: src " << ssq << std::endl;
MatrixTimer.Reset();
LinalgTimer.Reset();
QrTimer.Reset();
CompSolutionTimer.Reset();
GridStopWatch SolverTimer;
SolverTimer.Start();
IterationCount = 0;
for (int k=0; k<MaxNumberOfRestarts; k++) {
cp = outerLoopBody(LinOp, src, psi, rsq);
// Stopping condition
if (cp <= rsq) {
SolverTimer.Stop();
LinOp.Op(psi,r);
axpy(r,-1.0,src,r);
RealD srcnorm = sqrt(ssq);
RealD resnorm = sqrt(norm2(r));
RealD true_residual = resnorm / srcnorm;
std::cout << GridLogMessage << "GeneralisedMinimalResidual: Converged on iteration " << IterationCount
<< " computed residual " << sqrt(cp / ssq)
<< " true residual " << true_residual
<< " target " << Tolerance << std::endl;
std::cout << GridLogMessage << "GMRES Time elapsed: Total " << SolverTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "GMRES Time elapsed: Matrix " << MatrixTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "GMRES Time elapsed: Linalg " << LinalgTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "GMRES Time elapsed: QR " << QrTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "GMRES Time elapsed: CompSol " << CompSolutionTimer.Elapsed() << std::endl;
return;
}
}
std::cout << GridLogMessage << "GeneralisedMinimalResidual did NOT converge" << std::endl;
if (ErrorOnNoConverge)
GRID_ASSERT(0);
}
RealD outerLoopBody(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi, RealD rsq) {
RealD cp = 0;
Field w(src.Grid());
Field r(src.Grid());
// this should probably be made a class member so that it is only allocated once, not in every restart
std::vector<Field> v(RestartLength + 1, src.Grid()); for (auto &elem : v) elem = Zero();
MatrixTimer.Start();
LinOp.Op(psi, w);
MatrixTimer.Stop();
LinalgTimer.Start();
r = src - w;
gamma[0] = sqrt(norm2(r));
v[0] = (1. / gamma[0]) * r;
LinalgTimer.Stop();
for (int i=0; i<RestartLength; i++) {
IterationCount++;
arnoldiStep(LinOp, v, w, i);
qrUpdate(i);
cp = norm(gamma[i+1]);
std::cout << GridLogIterative << "GeneralisedMinimalResidual: Iteration " << IterationCount
<< " residual " << cp << " target " << rsq << std::endl;
if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
computeSolution(v, psi, i);
return cp;
}
}
GRID_ASSERT(0); // Never reached
return cp;
}
void arnoldiStep(LinearOperatorBase<Field> &LinOp, std::vector<Field> &v, Field &w, int iter) {
MatrixTimer.Start();
LinOp.Op(v[iter], w);
MatrixTimer.Stop();
LinalgTimer.Start();
for (int i = 0; i <= iter; ++i) {
H(iter, i) = innerProduct(v[i], w);
w = w - ComplexD(H(iter, i)) * v[i];
}
H(iter, iter + 1) = sqrt(norm2(w));
v[iter + 1] = ComplexD(1. / H(iter, iter + 1)) * w;
LinalgTimer.Stop();
}
void qrUpdate(int iter) {
QrTimer.Start();
for (int i = 0; i < iter ; ++i) {
auto tmp = -s[i] * ComplexD(H(iter, i)) + c[i] * ComplexD(H(iter, i + 1));
H(iter, i) = conjugate(c[i]) * ComplexD(H(iter, i)) + conjugate(s[i]) * ComplexD(H(iter, i + 1));
H(iter, i + 1) = tmp;
}
// Compute new Givens Rotation
auto nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
c[iter] = H(iter, iter) / nu;
s[iter] = H(iter, iter + 1) / nu;
// Apply new Givens rotation
H(iter, iter) = nu;
H(iter, iter + 1) = 0.;
gamma[iter + 1] = -s[iter] * gamma[iter];
gamma[iter] = conjugate(c[iter]) * gamma[iter];
QrTimer.Stop();
}
void computeSolution(std::vector<Field> const &v, Field &psi, int iter) {
CompSolutionTimer.Start();
for (int i = iter; i >= 0; i--) {
y[i] = gamma[i];
for (int k = i + 1; k <= iter; k++)
y[i] = y[i] - ComplexD(H(k, i)) * y[k];
y[i] = y[i] / ComplexD(H(i, i));
}
for (int i = 0; i <= iter; i++)
psi = psi + v[i] * y[i];
CompSolutionTimer.Stop();
}
};
}
#endif
File diff suppressed because it is too large. Load diff
File diff suppressed because it is too large. Load diff
@@ -1,741 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: paboyle <paboyle@ph.ed.ac.uk>
Author: Chulwoo Jung <chulwoo@bnl.gov>
Author: Christoph Lehner <clehner@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_BIRL_H
#define GRID_BIRL_H
#include <string.h> //memset
//#include <zlib.h>
#include <sys/stat.h>
NAMESPACE_BEGIN(Grid);
/////////////////////////////////////////////////////////////
// Implicitly restarted lanczos
/////////////////////////////////////////////////////////////
template<class Field> class ImplicitlyRestartedLanczosTester
{
public:
virtual int TestConvergence(int j,RealD resid,Field &evec, RealD &eval,RealD evalMaxApprox)=0;
virtual int ReconstructEval(int j,RealD resid,Field &evec, RealD &eval,RealD evalMaxApprox)=0;
};
enum IRLdiagonalisation {
IRLdiagonaliseWithDSTEGR,
IRLdiagonaliseWithQR,
IRLdiagonaliseWithEigen
};
template<class Field> class ImplicitlyRestartedLanczosHermOpTester : public ImplicitlyRestartedLanczosTester<Field>
{
public:
LinearFunction<Field> &_HermOp;
ImplicitlyRestartedLanczosHermOpTester(LinearFunction<Field> &HermOp) : _HermOp(HermOp) { };
int ReconstructEval(int j,RealD resid,Field &B, RealD &eval,RealD evalMaxApprox)
{
return TestConvergence(j,resid,B,eval,evalMaxApprox);
}
int TestConvergence(int j,RealD eresid,Field &B, RealD &eval,RealD evalMaxApprox)
{
Field v(B);
RealD eval_poly = eval;
// Apply operator
_HermOp(B,v);
RealD vnum = real(innerProduct(B,v)); // HermOp.
RealD vden = norm2(B);
RealD vv0 = norm2(v);
eval = vnum/vden;
v -= eval*B;
RealD vv = norm2(v) / ::pow(evalMaxApprox,2.0);
std::cout.precision(13);
int conv=0;
if( (vv<eresid*eresid) ) conv = 1;
std::cout<<GridLogIRL << "[" << std::setw(3)<<j<<"] "
<<"eval = "<<std::setw(25)<< eval << " (" << eval_poly << ")"
<<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv
<<" target " << eresid*eresid << " conv " <<conv
<<std::endl;
return conv;
}
};
template<class Field>
class ImplicitlyRestartedLanczos {
private:
const RealD small = 1.0e-8;
int MaxIter;
int MinRestart; // Minimum number of restarts; only check for convergence after
int Nstop; // Number of evecs checked for convergence
int Nk; // Number of converged sought
// int Np; // Np -- Number of spare vecs in krylov space // == Nm - Nk
int Nm; // Nm -- total number of vectors
IRLdiagonalisation diagonalisation;
int orth_period;
RealD OrthoTime;
RealD eresid, betastp;
////////////////////////////////
// Embedded objects
////////////////////////////////
LinearFunction<Field> &_PolyOp;
LinearFunction<Field> &_HermOp;
ImplicitlyRestartedLanczosTester<Field> &_Tester;
// Default tester provided (we need a ref to something in default case)
ImplicitlyRestartedLanczosHermOpTester<Field> SimpleTester;
/////////////////////////
// Constructor
/////////////////////////
public:
//////////////////////////////////////////////////////////////////
// PAB:
//////////////////////////////////////////////////////////////////
// Too many options & knobs.
// Eliminate:
// orth_period
// betastp
// MinRestart
//
// Do we really need orth_period
// What is the theoretical basis & guarantees of betastp ?
// Nstop=Nk viable?
// MinRestart avoidable with new convergence test?
// Could cut to PolyOp, HermOp, Tester, Nk, Nm, resid, maxiter (+diagonalisation)
// HermOp could be eliminated if we dropped the Power method for max eval.
// -- also: The eval, eval2, eval2_copy stuff is still unnecessarily unclear
//////////////////////////////////////////////////////////////////
ImplicitlyRestartedLanczos(LinearFunction<Field> & PolyOp,
LinearFunction<Field> & HermOp,
ImplicitlyRestartedLanczosTester<Field> & Tester,
int _Nstop, // sought vecs
int _Nk, // sought vecs
int _Nm, // spare vecs
RealD _eresid, // resid in lmdue deficit
int _MaxIter, // Max iterations
RealD _betastp=0.0, // if beta(k) < betastp: converged
int _MinRestart=0, int _orth_period = 1,
IRLdiagonalisation _diagonalisation= IRLdiagonaliseWithEigen) :
SimpleTester(HermOp), _PolyOp(PolyOp), _HermOp(HermOp), _Tester(Tester),
Nstop(_Nstop) , Nk(_Nk), Nm(_Nm),
eresid(_eresid), betastp(_betastp),
MaxIter(_MaxIter) , MinRestart(_MinRestart),
orth_period(_orth_period), diagonalisation(_diagonalisation) { };
ImplicitlyRestartedLanczos(LinearFunction<Field> & PolyOp,
LinearFunction<Field> & HermOp,
int _Nstop, // sought vecs
int _Nk, // sought vecs
int _Nm, // spare vecs
RealD _eresid, // resid in lmdue deficit
int _MaxIter, // Max iterations
RealD _betastp=0.0, // if beta(k) < betastp: converged
int _MinRestart=0, int _orth_period = 1,
IRLdiagonalisation _diagonalisation= IRLdiagonaliseWithEigen) :
SimpleTester(HermOp), _PolyOp(PolyOp), _HermOp(HermOp), _Tester(SimpleTester),
Nstop(_Nstop) , Nk(_Nk), Nm(_Nm),
eresid(_eresid), betastp(_betastp),
MaxIter(_MaxIter) , MinRestart(_MinRestart),
orth_period(_orth_period), diagonalisation(_diagonalisation) { };
////////////////////////////////
// Helpers
////////////////////////////////
template<typename T> static RealD normalise(T& v)
{
RealD nn = norm2(v);
nn = std::sqrt(nn);
v = v * (1.0/nn);
return nn;
}
void orthogonalize(Field& w, std::vector<Field>& evec,int k)
{
OrthoTime-=usecond()/1e6;
basisOrthogonalize(evec,w,k);
normalise(w);
OrthoTime+=usecond()/1e6;
}
/* Rudy Arthur's thesis pp.137
------------------------
Require: M > K P = M − K †
Compute the factorization AVM = VM HM + fM eM
repeat
Q=I
for i = 1,...,P do
QiRi =HM −θiI Q = QQi
H M = Q †i H M Q i
end for
βK =HM(K+1,K) σK =Q(M,K)
r=vK+1βK +rσK
VK =VM(1:M)Q(1:M,1:K)
HK =HM(1:K,1:K)
→AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM
until convergence
*/
void calc(std::vector<RealD>& eval, std::vector<Field>& evec, const Field& src, int& Nconv, bool reverse=false)
{
GridBase *grid = src.Grid();
GRID_ASSERT(grid == evec[0].Grid());
// GridLogIRL.TimingMode(1);
std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
std::cout << GridLogIRL <<" ImplicitlyRestartedLanczos::calc() starting iteration 0 / "<< MaxIter<< std::endl;
std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
std::cout << GridLogIRL <<" -- seek Nk = " << Nk <<" vectors"<< std::endl;
std::cout << GridLogIRL <<" -- accept Nstop = " << Nstop <<" vectors"<< std::endl;
std::cout << GridLogIRL <<" -- total Nm = " << Nm <<" vectors"<< std::endl;
std::cout << GridLogIRL <<" -- size of eval = " << eval.size() << std::endl;
std::cout << GridLogIRL <<" -- size of evec = " << evec.size() << std::endl;
if ( diagonalisation == IRLdiagonaliseWithDSTEGR ) {
std::cout << GridLogIRL << "Diagonalisation is DSTEGR "<<std::endl;
} else if ( diagonalisation == IRLdiagonaliseWithQR ) {
std::cout << GridLogIRL << "Diagonalisation is QR "<<std::endl;
} else if ( diagonalisation == IRLdiagonaliseWithEigen ) {
std::cout << GridLogIRL << "Diagonalisation is Eigen "<<std::endl;
}
std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
GRID_ASSERT(Nm <= evec.size() && Nm <= eval.size());
// quickly get an idea of the largest eigenvalue to more properly normalize the residuum
RealD evalMaxApprox = 0.0;
{
auto src_n = src;
auto tmp = src;
std::cout << GridLogIRL << " IRL source norm " << norm2(src) << std::endl;
const int _MAX_ITER_IRL_MEVAPP_ = 50;
for (int i=0;i<_MAX_ITER_IRL_MEVAPP_;i++) {
normalise(src_n);
_HermOp(src_n,tmp);
// std::cout << GridLogMessage<< tmp<<std::endl; exit(0);
// std::cout << GridLogIRL << " _HermOp " << norm2(tmp) << std::endl;
// RealD vnum = real(innerProduct(src_n,tmp)); // HermOp.
RealD vnum = real(innerProduct(tmp,tmp)); // HermOp^2.
RealD vden = norm2(src_n);
RealD na = std::sqrt(vnum/vden);
if (fabs(evalMaxApprox/na - 1.0) < 0.0001)
i=_MAX_ITER_IRL_MEVAPP_;
evalMaxApprox = na;
std::cout << GridLogIRL << " Approximation of largest eigenvalue: " << evalMaxApprox << std::endl;
src_n = tmp;
}
}
std::cout << GridLogIRL << " Final evalMaxApprox " << evalMaxApprox << std::endl;
std::vector<RealD> lme(Nm);
std::vector<RealD> lme2(Nm);
std::vector<RealD> eval2(Nm);
std::vector<RealD> eval2_copy(Nm);
Eigen::MatrixXd Qt = Eigen::MatrixXd::Zero(Nm,Nm);
Field f(grid);
Field v(grid);
int k1 = 1;
int k2 = Nk;
RealD beta_k;
Nconv = 0;
// Set initial vector
evec[0] = src;
normalise(evec[0]);
// Initial Nk steps
OrthoTime=0.;
for(int k=0; k<Nk; ++k) step(eval,lme,evec,f,Nm,k);
std::cout<<GridLogIRL <<"Initial "<< Nk <<"steps done "<<std::endl;
std::cout<<GridLogIRL <<"Initial steps:OrthoTime "<<OrthoTime<< "seconds"<<std::endl;
//////////////////////////////////
// Restarting loop begins
//////////////////////////////////
int iter;
for(iter = 0; iter<MaxIter; ++iter){
OrthoTime=0.;
std::cout<< GridLogMessage <<" **********************"<< std::endl;
std::cout<< GridLogMessage <<" Restart iteration = "<< iter << std::endl;
std::cout<< GridLogMessage <<" **********************"<< std::endl;
std::cout<<GridLogIRL <<" running "<<Nm-Nk <<" steps: "<<std::endl;
for(int k=Nk; k<Nm; ++k) step(eval,lme,evec,f,Nm,k);
f *= lme[Nm-1];
std::cout<<GridLogIRL <<" "<<Nm-Nk <<" steps done "<<std::endl;
std::cout<<GridLogIRL <<"Initial steps:OrthoTime "<<OrthoTime<< "seconds"<<std::endl;
//////////////////////////////////
// getting eigenvalues
//////////////////////////////////
for(int k=0; k<Nm; ++k){
eval2[k] = eval[k+k1-1];
lme2[k] = lme[k+k1-1];
}
Qt = Eigen::MatrixXd::Identity(Nm,Nm);
diagonalize(eval2,lme2,Nm,Nm,Qt,grid);
std::cout<<GridLogIRL <<" diagonalized "<<std::endl;
//////////////////////////////////
// sorting
//////////////////////////////////
eval2_copy = eval2;
std::partial_sort(eval2.begin(),eval2.begin()+Nm,eval2.end(),std::greater<RealD>());
std::cout<<GridLogIRL <<" evals sorted "<<std::endl;
const int chunk=8;
for(int io=0; io<k2;io+=chunk){
std::cout<<GridLogIRL << "eval "<< std::setw(3) << io ;
for(int ii=0;ii<chunk;ii++){
if ( (io+ii)<k2 )
std::cout<< " "<< std::setw(12)<< eval2[io+ii];
}
std::cout << std::endl;
}
//////////////////////////////////
// Implicitly shifted QR transformations
//////////////////////////////////
Qt = Eigen::MatrixXd::Identity(Nm,Nm);
for(int ip=k2; ip<Nm; ++ip){
QR_decomp(eval,lme,Nm,Nm,Qt,eval2[ip],k1,Nm);
}
std::cout<<GridLogIRL <<"QR decomposed "<<std::endl;
GRID_ASSERT(k2<Nm); GRID_ASSERT(k2<Nm); GRID_ASSERT(k1>0);
basisRotate(evec,Qt,k1-1,k2+1,0,Nm,Nm); /// big constraint on the basis
std::cout<<GridLogIRL <<"basisRotated by Qt *"<<k1-1<<","<<k2+1<<")"<<std::endl;
////////////////////////////////////////////////////
// Compressed vector f and beta(k2)
////////////////////////////////////////////////////
f *= Qt(k2-1,Nm-1);
f += lme[k2-1] * evec[k2];
beta_k = norm2(f);
beta_k = std::sqrt(beta_k);
std::cout<<GridLogIRL<<" beta(k) = "<<beta_k<<std::endl;
RealD betar = 1.0/beta_k;
evec[k2] = betar * f;
lme[k2-1] = beta_k;
////////////////////////////////////////////////////
// Convergence test
////////////////////////////////////////////////////
for(int k=0; k<Nm; ++k){
eval2[k] = eval[k];
lme2[k] = lme[k];
}
Qt = Eigen::MatrixXd::Identity(Nm,Nm);
diagonalize(eval2,lme2,Nk,Nm,Qt,grid);
std::cout<<GridLogIRL <<" Diagonalized "<<std::endl;
Nconv = 0;
if (iter >= MinRestart) {
std::cout << GridLogIRL << "Test convergence: rotate subset of vectors to test convergence " << std::endl;
Field B(grid); B.Checkerboard() = evec[0].Checkerboard();
// power of two search pattern; not every evalue in eval2 is assessed.
int allconv =1;
for(int jj = 1; jj<=Nstop; jj*=2){
int j = Nstop-jj;
RealD e = eval2_copy[j]; // Discard the evalue
basisRotateJ(B,evec,Qt,j,0,Nk,Nm);
if( !_Tester.TestConvergence(j,eresid,B,e,evalMaxApprox) ) {
allconv=0;
}
}
// Do evec[0] for good measure
{
int j=0;
RealD e = eval2_copy[0];
basisRotateJ(B,evec,Qt,j,0,Nk,Nm);
if( !_Tester.TestConvergence(j,eresid,B,e,evalMaxApprox) ) allconv=0;
}
if ( allconv ) Nconv = Nstop;
// test if we converged, if so, terminate
std::cout<<GridLogIRL<<" #modes converged: >= "<<Nconv<<"/"<<Nstop<<std::endl;
// if( Nconv>=Nstop || beta_k < betastp){
if( Nconv>=Nstop){
goto converged;
}
} else {
std::cout << GridLogIRL << "iter < MinRestart: do not yet test for convergence\n";
} // end of iter loop
}
std::cout<<GridLogError<<"\n NOT converged.\n";
abort();
converged:
{
Field B(grid); B.Checkerboard() = evec[0].Checkerboard();
basisRotate(evec,Qt,0,Nk,0,Nk,Nm);
std::cout << GridLogIRL << " Rotated basis"<<std::endl;
Nconv=0;
//////////////////////////////////////////////////////////////////////
// Full final convergence test; unconditionally applied
//////////////////////////////////////////////////////////////////////
for(int j = 0; j<=Nk; j++){
B=evec[j];
if( _Tester.ReconstructEval(j,eresid,B,eval2[j],evalMaxApprox) ) {
Nconv++;
}
}
if ( Nconv < Nstop ) {
std::cout << GridLogIRL << "Nconv ("<<Nconv<<") < Nstop ("<<Nstop<<")"<<std::endl;
std::cout << GridLogIRL << "returning Nstop vectors, the last "<< Nstop-Nconv << "of which might meet convergence criterion only approximately" <<std::endl;
}
eval=eval2;
//Keep only converged
eval.resize(Nstop);// was Nconv
evec.resize(Nstop,grid);// was Nconv
basisSortInPlace(evec,eval,reverse);
}
std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
std::cout << GridLogIRL << "ImplicitlyRestartedLanczos CONVERGED ; Summary :\n";
std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
std::cout << GridLogIRL << " -- Iterations = "<< iter << "\n";
std::cout << GridLogIRL << " -- beta(k) = "<< beta_k << "\n";
std::cout << GridLogIRL << " -- Nconv = "<< Nconv << "\n";
std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
}
private:
/* Saad PP. 195
1. Choose an initial vector v1 of 2-norm unity. Set β1 ≡ 0, v0 ≡ 0
2. For k = 1,2,...,m Do:
3. wk:=Avk - b_k v_{k-1}
4. ak:=(wk,vk) //
5. wk:=wk-akvk // wk orthog vk
6. bk+1 := ||wk||_2. If b_k+1 = 0 then Stop
7. vk+1 := wk/b_k+1
8. EndDo
*/
void step(std::vector<RealD>& lmd,
std::vector<RealD>& lme,
std::vector<Field>& evec,
Field& w,int Nm,int k)
{
std::cout<<GridLogDebug << "Lanczos step " <<k<<std::endl;
const RealD tiny = 1.0e-20;
GRID_ASSERT( k< Nm );
GridStopWatch gsw_op,gsw_o;
Field& evec_k = evec[k];
_PolyOp(evec_k,w); std::cout<<GridLogDebug << "PolyOp" <<std::endl;
if(k>0) w -= lme[k-1] * evec[k-1];
ComplexD zalph = innerProduct(evec_k,w);
RealD alph = real(zalph);
w = w - alph * evec_k;
RealD beta = normalise(w);
lmd[k] = alph;
lme[k] = beta;
if ( (k>0) && ( (k % orth_period) == 0 )) {
std::cout<<GridLogDebug << "Orthogonalising " <<k<<std::endl;
orthogonalize(w,evec,k); // orthonormalise
std::cout<<GridLogDebug << "Orthogonalised " <<k<<std::endl;
}
if(k < Nm-1) evec[k+1] = w;
std::cout<<GridLogIRL << "Lanczos step alpha[" << k << "] = " << zalph << " beta[" << k << "] = "<<beta<<std::endl;
if ( beta < tiny )
std::cout<<GridLogIRL << " beta is tiny "<<beta<<std::endl;
std::cout<<GridLogDebug << "Lanczos step complete " <<k<<std::endl;
}
void diagonalize_Eigen(std::vector<RealD>& lmd, std::vector<RealD>& lme,
int Nk, int Nm,
Eigen::MatrixXd & Qt, // Nm x Nm
GridBase *grid)
{
Eigen::MatrixXd TriDiag = Eigen::MatrixXd::Zero(Nk,Nk);
for(int i=0;i<Nk;i++) TriDiag(i,i) = lmd[i];
for(int i=0;i<Nk-1;i++) TriDiag(i,i+1) = lme[i];
for(int i=0;i<Nk-1;i++) TriDiag(i+1,i) = lme[i];
Eigen::SelfAdjointEigenSolver<Eigen::MatrixXd> eigensolver(TriDiag);
for (int i = 0; i < Nk; i++) {
lmd[Nk-1-i] = eigensolver.eigenvalues()(i);
}
for (int i = 0; i < Nk; i++) {
for (int j = 0; j < Nk; j++) {
Qt(Nk-1-i,j) = eigensolver.eigenvectors()(j,i);
}
}
}
///////////////////////////////////////////////////////////////////////////
// File could end here if settle on Eigen ??? !!!
///////////////////////////////////////////////////////////////////////////
void QR_decomp(std::vector<RealD>& lmd, // Nm
std::vector<RealD>& lme, // Nm
int Nk, int Nm, // Nk, Nm
Eigen::MatrixXd& Qt, // Nm x Nm matrix
RealD Dsh, int kmin, int kmax)
{
int k = kmin-1;
RealD x;
RealD Fden = 1.0/hypot(lmd[k]-Dsh,lme[k]);
RealD c = ( lmd[k] -Dsh) *Fden;
RealD s = -lme[k] *Fden;
RealD tmpa1 = lmd[k];
RealD tmpa2 = lmd[k+1];
RealD tmpb = lme[k];
lmd[k] = c*c*tmpa1 +s*s*tmpa2 -2.0*c*s*tmpb;
lmd[k+1] = s*s*tmpa1 +c*c*tmpa2 +2.0*c*s*tmpb;
lme[k] = c*s*(tmpa1-tmpa2) +(c*c-s*s)*tmpb;
x =-s*lme[k+1];
lme[k+1] = c*lme[k+1];
for(int i=0; i<Nk; ++i){
RealD Qtmp1 = Qt(k,i);
RealD Qtmp2 = Qt(k+1,i);
Qt(k,i) = c*Qtmp1 - s*Qtmp2;
Qt(k+1,i)= s*Qtmp1 + c*Qtmp2;
}
// Givens transformations
for(int k = kmin; k < kmax-1; ++k){
RealD Fden = 1.0/hypot(x,lme[k-1]);
RealD c = lme[k-1]*Fden;
RealD s = - x*Fden;
RealD tmpa1 = lmd[k];
RealD tmpa2 = lmd[k+1];
RealD tmpb = lme[k];
lmd[k] = c*c*tmpa1 +s*s*tmpa2 -2.0*c*s*tmpb;
lmd[k+1] = s*s*tmpa1 +c*c*tmpa2 +2.0*c*s*tmpb;
lme[k] = c*s*(tmpa1-tmpa2) +(c*c-s*s)*tmpb;
lme[k-1] = c*lme[k-1] -s*x;
if(k != kmax-2){
x = -s*lme[k+1];
lme[k+1] = c*lme[k+1];
}
for(int i=0; i<Nk; ++i){
RealD Qtmp1 = Qt(k,i);
RealD Qtmp2 = Qt(k+1,i);
Qt(k,i) = c*Qtmp1 -s*Qtmp2;
Qt(k+1,i) = s*Qtmp1 +c*Qtmp2;
}
}
}
void diagonalize(std::vector<RealD>& lmd, std::vector<RealD>& lme,
int Nk, int Nm,
Eigen::MatrixXd & Qt,
GridBase *grid)
{
Qt = Eigen::MatrixXd::Identity(Nm,Nm);
if ( diagonalisation == IRLdiagonaliseWithDSTEGR ) {
diagonalize_lapack(lmd,lme,Nk,Nm,Qt,grid);
} else if ( diagonalisation == IRLdiagonaliseWithQR ) {
diagonalize_QR(lmd,lme,Nk,Nm,Qt,grid);
} else if ( diagonalisation == IRLdiagonaliseWithEigen ) {
diagonalize_Eigen(lmd,lme,Nk,Nm,Qt,grid);
} else {
GRID_ASSERT(0);
}
}
#ifdef USE_LAPACK
void LAPACK_dstegr(char *jobz, char *range, int *n, double *d, double *e,
double *vl, double *vu, int *il, int *iu, double *abstol,
int *m, double *w, double *z, int *ldz, int *isuppz,
double *work, int *lwork, int *iwork, int *liwork,
int *info);
#endif
void diagonalize_lapack(std::vector<RealD>& lmd,
std::vector<RealD>& lme,
int Nk, int Nm,
Eigen::MatrixXd& Qt,
GridBase *grid)
{
#ifdef USE_LAPACK
const int size = Nm;
int NN = Nk;
double evals_tmp[NN];
double evec_tmp[NN][NN];
memset(evec_tmp[0],0,sizeof(double)*NN*NN);
double DD[NN];
double EE[NN];
for (int i = 0; i< NN; i++) {
for (int j = i - 1; j <= i + 1; j++) {
if ( j < NN && j >= 0 ) {
if (i==j) DD[i] = lmd[i];
if (i==j) evals_tmp[i] = lmd[i];
if (j==(i-1)) EE[j] = lme[j];
}
}
}
int evals_found;
int lwork = ( (18*NN) > (1+4*NN+NN*NN)? (18*NN):(1+4*NN+NN*NN)) ;
int liwork = 3+NN*10 ;
int iwork[liwork];
double work[lwork];
int isuppz[2*NN];
char jobz = 'V'; // calculate evals & evecs
char range = 'I'; // calculate all evals
// char range = 'A'; // calculate all evals
char uplo = 'U'; // refer to upper half of original matrix
char compz = 'I'; // Compute eigenvectors of tridiagonal matrix
int ifail[NN];
int info;
int total = grid->_Nprocessors;
int node = grid->_processor;
int interval = (NN/total)+1;
double vl = 0.0, vu = 0.0;
int il = interval*node+1 , iu = interval*(node+1);
if (iu > NN) iu=NN;
double tol = 0.0;
if (1) {
memset(evals_tmp,0,sizeof(double)*NN);
if ( il <= NN){
LAPACK_dstegr(&jobz, &range, &NN,
(double*)DD, (double*)EE,
&vl, &vu, &il, &iu, // these four are ignored if second parameteris 'A'
&tol, // tolerance
&evals_found, evals_tmp, (double*)evec_tmp, &NN,
isuppz,
work, &lwork, iwork, &liwork,
&info);
for (int i = iu-1; i>= il-1; i--){
evals_tmp[i] = evals_tmp[i - (il-1)];
if (il>1) evals_tmp[i-(il-1)]=0.;
for (int j = 0; j< NN; j++){
evec_tmp[i][j] = evec_tmp[i - (il-1)][j];
if (il>1) evec_tmp[i-(il-1)][j]=0.;
}
}
}
{
grid->GlobalSumVector(evals_tmp,NN);
grid->GlobalSumVector((double*)evec_tmp,NN*NN);
}
}
// Safer to sort instead of just reversing it,
// but the document of the routine says evals are sorted in increasing order.
// qr gives evals in decreasing order.
for(int i=0;i<NN;i++){
lmd [NN-1-i]=evals_tmp[i];
for(int j=0;j<NN;j++){
Qt((NN-1-i),j)=evec_tmp[i][j];
}
}
#else
GRID_ASSERT(0);
#endif
}
void diagonalize_QR(std::vector<RealD>& lmd, std::vector<RealD>& lme,
int Nk, int Nm,
Eigen::MatrixXd & Qt,
GridBase *grid)
{
int QRiter = 100*Nm;
int kmin = 1;
int kmax = Nk;
// (this should be more sophisticated)
for(int iter=0; iter<QRiter; ++iter){
// determination of 2x2 leading submatrix
RealD dsub = lmd[kmax-1]-lmd[kmax-2];
RealD dd = std::sqrt(dsub*dsub + 4.0*lme[kmax-2]*lme[kmax-2]);
RealD Dsh = 0.5*(lmd[kmax-2]+lmd[kmax-1] +dd*(dsub/fabs(dsub)));
// (Dsh: shift)
// transformation
QR_decomp(lmd,lme,Nk,Nm,Qt,Dsh,kmin,kmax); // Nk, Nm
// Convergence criterion (redef of kmin and kamx)
for(int j=kmax-1; j>= kmin; --j){
RealD dds = fabs(lmd[j-1])+fabs(lmd[j]);
if(fabs(lme[j-1])+dds > dds){
kmax = j+1;
goto continued;
}
}
QRiter = iter;
return;
continued:
for(int j=0; j<kmax-1; ++j){
RealD dds = fabs(lmd[j])+fabs(lmd[j+1]);
if(fabs(lme[j])+dds > dds){
kmin = j+1;
break;
}
}
}
std::cout << GridLogError << "[QL method] Error - Too many iteration: "<<QRiter<<"\n";
abort();
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,454 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/LocalCoherenceLanczos.h
Copyright (C) 2015
Author: Christoph Lehner <clehner@bnl.gov>
Author: paboyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_LOCAL_COHERENCE_IRL_H
#define GRID_LOCAL_COHERENCE_IRL_H
NAMESPACE_BEGIN(Grid);
struct LanczosParams : Serializable {
public:
GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParams,
ChebyParams, Cheby,/*Chebyshev*/
int, Nstop, /*Vecs in Lanczos must converge Nstop < Nk < Nm*/
int, Nk, /*Vecs in Lanczos seek converge*/
int, Nm, /*Total vecs in Lanczos include restart*/
RealD, resid, /*residual*/
int, MaxIt,
RealD, betastp, /* ? */
int, MinRes); // Must restart
};
//This class is the input parameter class for some testing programs
struct LocalCoherenceLanczosParams : Serializable {
public:
GRID_SERIALIZABLE_CLASS_MEMBERS(LocalCoherenceLanczosParams,
bool, saveEvecs,
bool, doFine,
bool, doFineRead,
bool, doCoarse,
bool, doCoarseRead,
LanczosParams, FineParams,
LanczosParams, CoarseParams,
ChebyParams, Smoother,
RealD , coarse_relax_tol,
std::vector<int>, blockSize,
std::string, config,
std::vector < ComplexD >, omega,
RealD, mass,
RealD, M5);
};
// Duplicate functionality; ProjectedFunctionHermOp could be used with the trivial function
template<class Fobj,class CComplex,int nbasis>
class ProjectedHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
public:
using LinearFunction<Lattice<iVector<CComplex,nbasis > > >::operator();
typedef iVector<CComplex,nbasis > CoarseSiteVector;
typedef Lattice<CoarseSiteVector> CoarseField;
typedef Lattice<CComplex> CoarseScalar; // used for inner products on fine field
typedef Lattice<Fobj> FineField;
LinearOperatorBase<FineField> &_Linop;
std::vector<FineField> &subspace;
ProjectedHermOp(LinearOperatorBase<FineField>& linop, std::vector<FineField> & _subspace) :
_Linop(linop), subspace(_subspace)
{
GRID_ASSERT(subspace.size() >0);
};
void operator()(const CoarseField& in, CoarseField& out) {
GridBase *FineGrid = subspace[0].Grid();
int checkerboard = subspace[0].Checkerboard();
FineField fin (FineGrid); fin.Checkerboard()= checkerboard;
FineField fout(FineGrid); fout.Checkerboard() = checkerboard;
blockPromote(in,fin,subspace); std::cout<<GridLogIRL<<"ProjectedHermop : Promote to fine"<<std::endl;
_Linop.HermOp(fin,fout); std::cout<<GridLogIRL<<"ProjectedHermop : HermOp (fine) "<<std::endl;
blockProject(out,fout,subspace); std::cout<<GridLogIRL<<"ProjectedHermop : Project to coarse "<<std::endl;
}
};
template<class Fobj,class CComplex,int nbasis>
class ProjectedFunctionHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
public:
using LinearFunction<Lattice<iVector<CComplex,nbasis > > >::operator();
typedef iVector<CComplex,nbasis > CoarseSiteVector;
typedef Lattice<CoarseSiteVector> CoarseField;
typedef Lattice<CComplex> CoarseScalar; // used for inner products on fine field
typedef Lattice<Fobj> FineField;
OperatorFunction<FineField> & _poly;
LinearOperatorBase<FineField> &_Linop;
std::vector<FineField> &subspace;
ProjectedFunctionHermOp(OperatorFunction<FineField> & poly,
LinearOperatorBase<FineField>& linop,
std::vector<FineField> & _subspace) :
_poly(poly),
_Linop(linop),
subspace(_subspace)
{ };
void operator()(const CoarseField& in, CoarseField& out) {
GridBase *FineGrid = subspace[0].Grid();
int checkerboard = subspace[0].Checkerboard();
FineField fin (FineGrid); fin.Checkerboard() =checkerboard;
FineField fout(FineGrid);fout.Checkerboard() =checkerboard;
blockPromote(in,fin,subspace); std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Promote to fine"<<std::endl;
_poly(_Linop,fin,fout); std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Poly "<<std::endl;
blockProject(out,fout,subspace); std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Project to coarse "<<std::endl;
}
};
template<class Fobj,class CComplex,int nbasis>
class ImplicitlyRestartedLanczosSmoothedTester : public ImplicitlyRestartedLanczosTester<Lattice<iVector<CComplex,nbasis > > >
{
public:
typedef iVector<CComplex,nbasis > CoarseSiteVector;
typedef Lattice<CoarseSiteVector> CoarseField;
typedef Lattice<CComplex> CoarseScalar; // used for inner products on fine field
typedef Lattice<Fobj> FineField;
LinearFunction<CoarseField> & _Poly;
OperatorFunction<FineField> & _smoother;
LinearOperatorBase<FineField> &_Linop;
RealD _coarse_relax_tol;
std::vector<FineField> &_subspace;
int _largestEvalIdxForReport; //The convergence of the LCL is based on the evals of the coarse grid operator, not those of the underlying fine grid operator
//As a result we do not know what the eval range of the fine operator is until the very end, making tuning the Cheby bounds very difficult
//To work around this issue, every restart we separately reconstruct the fine operator eval for the lowest and highest evec and print these
//out alongside the evals of the coarse operator. To do so we need to know the index of the largest eval (i.e. Nstop-1)
//NOTE: If largestEvalIdxForReport=-1 (default) then this is not performed
ImplicitlyRestartedLanczosSmoothedTester(LinearFunction<CoarseField> &Poly,
OperatorFunction<FineField> &smoother,
LinearOperatorBase<FineField> &Linop,
std::vector<FineField> &subspace,
RealD coarse_relax_tol=5.0e3,
int largestEvalIdxForReport=-1)
: _smoother(smoother), _Linop(Linop), _Poly(Poly), _subspace(subspace),
_coarse_relax_tol(coarse_relax_tol), _largestEvalIdxForReport(largestEvalIdxForReport)
{ };
//evalMaxApprox: approximation of largest eval of the fine Chebyshev operator (suitably wrapped by block projection)
int TestConvergence(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
{
CoarseField v(B);
RealD eval_poly = eval;
// Apply operator
_Poly(B,v);
RealD vnum = real(innerProduct(B,v)); // HermOp.
RealD vden = norm2(B);
RealD vv0 = norm2(v);
eval = vnum/vden;
v -= eval*B;
RealD vv = norm2(v) / ::pow(evalMaxApprox,2.0);
std::cout.precision(13);
std::cout<<GridLogIRL << "[" << std::setw(3)<<j<<"] "
<<"eval = "<<std::setw(25)<< eval << " (" << eval_poly << ")"
<<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv
<<std::endl;
if(_largestEvalIdxForReport != -1 && (j==0 || j==_largestEvalIdxForReport)){
std::cout<<GridLogIRL << "Estimating true eval of fine grid operator for eval idx " << j << std::endl;
RealD tmp_eval;
ReconstructEval(j,eresid,B,tmp_eval,1.0); //don't use evalMaxApprox of coarse operator! (cf below)
}
int conv=0;
if( (vv<eresid*eresid) ) conv = 1;
return conv;
}
//This function is called at the end of the coarse grid Lanczos. It promotes the coarse eigenvector 'B' to the fine grid,
//applies a smoother to the result then computes the computes the *fine grid* eigenvalue (output as 'eval').
//evalMaxApprox should be the approximation of the largest eval of the fine Hermop. However when this function is called by IRL it actually passes the largest eval of the *Chebyshev* operator (as this is the max approx used for the TestConvergence above)
//As the largest eval of the Chebyshev is typically several orders of magnitude larger this makes the convergence test pass even when it should not.
//We therefore ignore evalMaxApprox here and use a value of 1.0 (note this value is already used by TestCoarse)
int ReconstructEval(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
{
evalMaxApprox = 1.0; //cf above
GridBase *FineGrid = _subspace[0].Grid();
int checkerboard = _subspace[0].Checkerboard();
FineField fB(FineGrid);fB.Checkerboard() =checkerboard;
FineField fv(FineGrid);fv.Checkerboard() =checkerboard;
blockPromote(B,fv,_subspace);
_smoother(_Linop,fv,fB);
RealD eval_poly = eval;
_Linop.HermOp(fB,fv);
RealD vnum = real(innerProduct(fB,fv)); // HermOp.
RealD vden = norm2(fB);
RealD vv0 = norm2(fv);
eval = vnum/vden;
fv -= eval*fB;
RealD vv = norm2(fv) / ::pow(evalMaxApprox,2.0);
if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
std::cout.precision(13);
std::cout<<GridLogIRL << "[" << std::setw(3)<<j<<"] "
<<"eval = "<<std::setw(25)<< eval << " (" << eval_poly << ")"
<<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv << " target " << eresid*eresid
<<std::endl;
if( (vv<eresid*eresid) ) return 1;
return 0;
}
};
////////////////////////////////////////////
// Make serializable Lanczos params
////////////////////////////////////////////
template<class Fobj,class CComplex,int nbasis>
class LocalCoherenceLanczos
{
public:
typedef iVector<CComplex,nbasis > CoarseSiteVector;
typedef Lattice<CComplex> CoarseScalar; // used for inner products on fine field
typedef Lattice<CoarseSiteVector> CoarseField;
typedef Lattice<Fobj> FineField;
protected:
GridBase *_CoarseGrid;
GridBase *_FineGrid;
int _checkerboard;
LinearOperatorBase<FineField> & _FineOp;
std::vector<RealD> &evals_fine;
std::vector<RealD> &evals_coarse;
std::vector<FineField> &subspace;
std::vector<CoarseField> &evec_coarse;
private:
std::vector<RealD> _evals_fine;
std::vector<RealD> _evals_coarse;
std::vector<FineField> _subspace;
std::vector<CoarseField> _evec_coarse;
public:
LocalCoherenceLanczos(GridBase *FineGrid,
GridBase *CoarseGrid,
LinearOperatorBase<FineField> &FineOp,
int checkerboard) :
_CoarseGrid(CoarseGrid),
_FineGrid(FineGrid),
_FineOp(FineOp),
_checkerboard(checkerboard),
evals_fine (_evals_fine),
evals_coarse(_evals_coarse),
subspace (_subspace),
evec_coarse(_evec_coarse)
{
evals_fine.resize(0);
evals_coarse.resize(0);
};
//////////////////////////////////////////////////////////////////////////
// Alternate constructore, external storage for use by Hadrons module
//////////////////////////////////////////////////////////////////////////
LocalCoherenceLanczos(GridBase *FineGrid,
GridBase *CoarseGrid,
LinearOperatorBase<FineField> &FineOp,
int checkerboard,
std::vector<FineField> &ext_subspace,
std::vector<CoarseField> &ext_coarse,
std::vector<RealD> &ext_eval_fine,
std::vector<RealD> &ext_eval_coarse
) :
_CoarseGrid(CoarseGrid),
_FineGrid(FineGrid),
_FineOp(FineOp),
_checkerboard(checkerboard),
evals_fine (ext_eval_fine),
evals_coarse(ext_eval_coarse),
subspace (ext_subspace),
evec_coarse (ext_coarse)
{
evals_fine.resize(0);
evals_coarse.resize(0);
};
//The block inner product is the inner product on the fine grid locally summed over the blocks
//to give a Lattice<Scalar> on the coarse grid. This function orthnormalizes the fine-grid subspace
//vectors under the block inner product. This step must be performed after computing the fine grid
//eigenvectors and before computing the coarse grid eigenvectors.
void Orthogonalise(void ) {
CoarseScalar InnerProd(_CoarseGrid);
std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
blockOrthogonalise(InnerProd,subspace);
std::cout << GridLogMessage <<" Gramm-Schmidt pass 2"<<std::endl;
blockOrthogonalise(InnerProd,subspace);
};
template<typename T> static RealD normalise(T& v)
{
RealD nn = norm2(v);
nn = ::sqrt(nn);
v = v * (1.0/nn);
return nn;
}
/*
void fakeFine(void)
{
int Nk = nbasis;
subspace.resize(Nk,_FineGrid);
subspace[0]=1.0;
subspace[0].Checkerboard()=_checkerboard;
normalise(subspace[0]);
PlainHermOp<FineField> Op(_FineOp);
for(int k=1;k<Nk;k++){
subspace[k].Checkerboard()=_checkerboard;
Op(subspace[k-1],subspace[k]);
normalise(subspace[k]);
}
}
*/
void testFine(RealD resid)
{
GRID_ASSERT(evals_fine.size() == nbasis);
GRID_ASSERT(subspace.size() == nbasis);
PlainHermOp<FineField> Op(_FineOp);
ImplicitlyRestartedLanczosHermOpTester<FineField> SimpleTester(Op);
for(int k=0;k<nbasis;k++){
GRID_ASSERT(SimpleTester.ReconstructEval(k,resid,subspace[k],evals_fine[k],1.0)==1);
}
}
//While this method serves to check the coarse eigenvectors, it also recomputes the eigenvalues from the smoothed reconstructed eigenvectors
//hence the smoother can be tuned after running the coarse Lanczos by using a different smoother here
void testCoarse(RealD resid,ChebyParams cheby_smooth,RealD relax)
{
GRID_ASSERT(evals_fine.size() == nbasis);
GRID_ASSERT(subspace.size() == nbasis);
//////////////////////////////////////////////////////////////////////////////////////////////////
// create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
//////////////////////////////////////////////////////////////////////////////////////////////////
Chebyshev<FineField> ChebySmooth(cheby_smooth);
ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (ChebySmooth,_FineOp,subspace);
ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax);
for(int k=0;k<evec_coarse.size();k++){
if ( k < nbasis ) {
assert(ChebySmoothTester.ReconstructEval(k,resid,evec_coarse[k],evals_coarse[k],1.0)==1);
} else {
assert(ChebySmoothTester.ReconstructEval(k,resid*relax,evec_coarse[k],evals_coarse[k],1.0)==1);
}
}
}
void calcFine(ChebyParams cheby_parms,int Nstop,int Nk,int Nm,RealD resid,
RealD MaxIt, RealD betastp, int MinRes)
{
GRID_ASSERT(nbasis<=Nm);
Chebyshev<FineField> Cheby(cheby_parms);
FunctionHermOp<FineField> ChebyOp(Cheby,_FineOp);
PlainHermOp<FineField> Op(_FineOp);
evals_fine.resize(Nm);
subspace.resize(Nm,_FineGrid);
ImplicitlyRestartedLanczos<FineField> IRL(ChebyOp,Op,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
FineField src(_FineGrid);
typedef typename FineField::scalar_type Scalar;
// src=1.0;
src=Scalar(1.0);
src.Checkerboard() = _checkerboard;
int Nconv;
IRL.calc(evals_fine,subspace,src,Nconv,false);
// Shrink down to number saved
GRID_ASSERT(Nstop>=nbasis);
GRID_ASSERT(Nconv>=nbasis);
evals_fine.resize(nbasis);
subspace.resize(nbasis,_FineGrid);
}
//cheby_op: Parameters of the fine grid Chebyshev polynomial used for the Lanczos acceleration
//cheby_smooth: Parameters of a separate Chebyshev polynomial used after the Lanczos has completed to smooth out high frequency noise in the reconstructed fine grid eigenvectors prior to computing the eigenvalue
//relax: Reconstructed eigenvectors (post smoothing) are naturally not as precise as true eigenvectors. This factor acts as a multiplier on the stopping condition when determining whether the results satisfy the user provided stopping condition
void calcCoarse(ChebyParams cheby_op,ChebyParams cheby_smooth,RealD relax,
int Nstop, int Nk, int Nm,RealD resid,
RealD MaxIt, RealD betastp, int MinRes)
{
Chebyshev<FineField> Cheby(cheby_op); //Chebyshev of fine operator on fine grid
ProjectedHermOp<Fobj,CComplex,nbasis> Op(_FineOp,subspace); //Fine operator on coarse grid with intermediate fine grid conversion
ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace); //Chebyshev of fine operator on coarse grid with intermediate fine grid conversion
//////////////////////////////////////////////////////////////////////////////////////////////////
// create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
//////////////////////////////////////////////////////////////////////////////////////////////////
Chebyshev<FineField> ChebySmooth(cheby_smooth); //lower order Chebyshev of fine operator on fine grid used to smooth regenerated eigenvectors
ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax,Nstop-1);
evals_coarse.resize(Nm);
evec_coarse.resize(Nm,_CoarseGrid);
CoarseField src(_CoarseGrid); src=1.0;
//Note the "tester" here is also responsible for generating the fine grid eigenvalues which are output into the "evals_coarse" array
ImplicitlyRestartedLanczos<CoarseField> IRL(ChebyOp,ChebyOp,ChebySmoothTester,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
int Nconv=0;
IRL.calc(evals_coarse,evec_coarse,src,Nconv,false);
GRID_ASSERT(Nconv>=Nstop);
evals_coarse.resize(Nstop);
evec_coarse.resize (Nstop,_CoarseGrid);
for (int i=0;i<Nstop;i++){
std::cout << i << " Coarse eval = " << evals_coarse[i] << std::endl;
}
}
//Get the fine eigenvector 'i' by reconstruction
void getFineEvecEval(FineField &evec, RealD &eval, const int i) const{
blockPromote(evec_coarse[i],evec,subspace);
eval = evals_coarse[i];
}
};
NAMESPACE_END(Grid);
#endif
-157
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@@ -1,157 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/MinimalResidual.h
Copyright (C) 2015
Author: Daniel Richtmann <daniel.richtmann@ur.de>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_MINIMAL_RESIDUAL_H
#define GRID_MINIMAL_RESIDUAL_H
namespace Grid {
template<class Field> class MinimalResidual : public OperatorFunction<Field> {
public:
using OperatorFunction<Field>::operator();
bool ErrorOnNoConverge; // throw an GRID_ASSERT when the MR fails to converge.
// Defaults true.
RealD Tolerance;
Integer MaxIterations;
RealD overRelaxParam;
Integer IterationsToComplete; // Number of iterations the MR took to finish.
// Filled in upon completion
MinimalResidual(RealD tol, Integer maxit, Real ovrelparam = 1.0, bool err_on_no_conv = true)
: Tolerance(tol), MaxIterations(maxit), overRelaxParam(ovrelparam), ErrorOnNoConverge(err_on_no_conv){};
void operator()(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi) {
psi.Checkerboard() = src.Checkerboard();
conformable(psi, src);
ComplexD a, c;
RealD d;
Field Mr(src);
Field r(src);
// Initial residual computation & set up
RealD guess = norm2(psi);
GRID_ASSERT(std::isnan(guess) == 0);
RealD ssq = norm2(src);
RealD rsq = Tolerance * Tolerance * ssq;
Linop.Op(psi, Mr);
r = src - Mr;
RealD cp = norm2(r);
std::cout << std::setprecision(4) << std::scientific;
std::cout << GridLogIterative << "MinimalResidual: guess " << guess << std::endl;
std::cout << GridLogIterative << "MinimalResidual: src " << ssq << std::endl;
std::cout << GridLogIterative << "MinimalResidual: cp,r " << cp << std::endl;
if (cp <= rsq) {
return;
}
std::cout << GridLogIterative << "MinimalResidual: k=0 residual " << cp << " target " << rsq << std::endl;
GridStopWatch LinalgTimer;
GridStopWatch MatrixTimer;
GridStopWatch SolverTimer;
SolverTimer.Start();
int k;
for (k = 1; k <= MaxIterations; k++) {
MatrixTimer.Start();
Linop.Op(r, Mr);
MatrixTimer.Stop();
LinalgTimer.Start();
c = innerProduct(Mr, r);
d = norm2(Mr);
a = c / d;
a = a * overRelaxParam;
psi = psi + r * a;
r = r - Mr * a;
cp = norm2(r);
LinalgTimer.Stop();
std::cout << GridLogIterative << "MinimalResidual: Iteration " << k
<< " residual " << cp << " target " << rsq << std::endl;
std::cout << GridLogDebug << "a = " << a << " c = " << c << " d = " << d << std::endl;
// Stopping condition
if (cp <= rsq) {
SolverTimer.Stop();
Linop.Op(psi, Mr);
r = src - Mr;
RealD srcnorm = sqrt(ssq);
RealD resnorm = sqrt(norm2(r));
RealD true_residual = resnorm / srcnorm;
std::cout << GridLogMessage << "MinimalResidual Converged on iteration " << k
<< " computed residual " << sqrt(cp / ssq)
<< " true residual " << true_residual
<< " target " << Tolerance << std::endl;
std::cout << GridLogMessage << "MR Time elapsed: Total " << SolverTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "MR Time elapsed: Matrix " << MatrixTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "MR Time elapsed: Linalg " << LinalgTimer.Elapsed() << std::endl;
if (ErrorOnNoConverge)
GRID_ASSERT(true_residual / Tolerance < 10000.0);
IterationsToComplete = k;
return;
}
}
std::cout << GridLogMessage << "MinimalResidual did NOT converge"
<< std::endl;
if (ErrorOnNoConverge)
GRID_ASSERT(0);
IterationsToComplete = k;
}
};
} // namespace Grid
#endif
@@ -1,276 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/MixedPrecisionFlexibleGeneralisedMinimalResidual.h
Copyright (C) 2015
Author: Daniel Richtmann <daniel.richtmann@ur.de>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_MIXED_PRECISION_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
#define GRID_MIXED_PRECISION_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
namespace Grid {
template<class FieldD, class FieldF, typename std::enable_if<getPrecision<FieldD>::value == 2, int>::type = 0, typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0>
class MixedPrecisionFlexibleGeneralisedMinimalResidual : public OperatorFunction<FieldD> {
public:
using OperatorFunction<FieldD>::operator();
bool ErrorOnNoConverge; // Throw an GRID_ASSERT when MPFGMRES fails to converge,
// defaults to true
RealD Tolerance;
Integer MaxIterations;
Integer RestartLength;
Integer MaxNumberOfRestarts;
Integer IterationCount; // Number of iterations the MPFGMRES took to finish,
// filled in upon completion
GridStopWatch MatrixTimer;
GridStopWatch PrecTimer;
GridStopWatch LinalgTimer;
GridStopWatch QrTimer;
GridStopWatch CompSolutionTimer;
GridStopWatch ChangePrecTimer;
Eigen::MatrixXcd H;
std::vector<ComplexD> y;
std::vector<ComplexD> gamma;
std::vector<ComplexD> c;
std::vector<ComplexD> s;
GridBase* SinglePrecGrid;
LinearFunction<FieldF> &Preconditioner;
MixedPrecisionFlexibleGeneralisedMinimalResidual(RealD tol,
Integer maxit,
GridBase * sp_grid,
LinearFunction<FieldF> &Prec,
Integer restart_length,
bool err_on_no_conv = true)
: Tolerance(tol)
, MaxIterations(maxit)
, RestartLength(restart_length)
, MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
, ErrorOnNoConverge(err_on_no_conv)
, H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
, y(RestartLength + 1, 0.)
, gamma(RestartLength + 1, 0.)
, c(RestartLength + 1, 0.)
, s(RestartLength + 1, 0.)
, SinglePrecGrid(sp_grid)
, Preconditioner(Prec) {};
void operator()(LinearOperatorBase<FieldD> &LinOp, const FieldD &src, FieldD &psi) {
psi.Checkerboard() = src.Checkerboard();
conformable(psi, src);
RealD guess = norm2(psi);
GRID_ASSERT(std::isnan(guess) == 0);
RealD cp;
RealD ssq = norm2(src);
RealD rsq = Tolerance * Tolerance * ssq;
FieldD r(src.Grid());
std::cout << std::setprecision(4) << std::scientific;
std::cout << GridLogIterative << "MPFGMRES: guess " << guess << std::endl;
std::cout << GridLogIterative << "MPFGMRES: src " << ssq << std::endl;
PrecTimer.Reset();
MatrixTimer.Reset();
LinalgTimer.Reset();
QrTimer.Reset();
CompSolutionTimer.Reset();
ChangePrecTimer.Reset();
GridStopWatch SolverTimer;
SolverTimer.Start();
IterationCount = 0;
for (int k=0; k<MaxNumberOfRestarts; k++) {
cp = outerLoopBody(LinOp, src, psi, rsq);
// Stopping condition
if (cp <= rsq) {
SolverTimer.Stop();
LinOp.Op(psi,r);
axpy(r,-1.0,src,r);
RealD srcnorm = sqrt(ssq);
RealD resnorm = sqrt(norm2(r));
RealD true_residual = resnorm / srcnorm;
std::cout << GridLogMessage << "MPFGMRES: Converged on iteration " << IterationCount
<< " computed residual " << sqrt(cp / ssq)
<< " true residual " << true_residual
<< " target " << Tolerance << std::endl;
std::cout << GridLogMessage << "MPFGMRES Time elapsed: Total " << SolverTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "MPFGMRES Time elapsed: Precon " << PrecTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "MPFGMRES Time elapsed: Matrix " << MatrixTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "MPFGMRES Time elapsed: Linalg " << LinalgTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "MPFGMRES Time elapsed: QR " << QrTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "MPFGMRES Time elapsed: CompSol " << CompSolutionTimer.Elapsed() << std::endl;
std::cout << GridLogMessage << "MPFGMRES Time elapsed: PrecChange " << ChangePrecTimer.Elapsed() << std::endl;
return;
}
}
std::cout << GridLogMessage << "MPFGMRES did NOT converge" << std::endl;
if (ErrorOnNoConverge)
GRID_ASSERT(0);
}
RealD outerLoopBody(LinearOperatorBase<FieldD> &LinOp, const FieldD &src, FieldD &psi, RealD rsq) {
RealD cp = 0;
FieldD w(src.Grid());
FieldD r(src.Grid());
// these should probably be made class members so that they are only allocated once, not in every restart
std::vector<FieldD> v(RestartLength + 1, src.Grid()); for (auto &elem : v) elem = Zero();
std::vector<FieldD> z(RestartLength + 1, src.Grid()); for (auto &elem : z) elem = Zero();
MatrixTimer.Start();
LinOp.Op(psi, w);
MatrixTimer.Stop();
LinalgTimer.Start();
r = src - w;
gamma[0] = sqrt(norm2(r));
v[0] = (1. / gamma[0]) * r;
LinalgTimer.Stop();
for (int i=0; i<RestartLength; i++) {
IterationCount++;
arnoldiStep(LinOp, v, z, w, i);
qrUpdate(i);
cp = norm(gamma[i+1]);
std::cout << GridLogIterative << "MPFGMRES: Iteration " << IterationCount
<< " residual " << cp << " target " << rsq << std::endl;
if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
computeSolution(z, psi, i);
return cp;
}
}
GRID_ASSERT(0); // Never reached
return cp;
}
void arnoldiStep(LinearOperatorBase<FieldD> &LinOp, std::vector<FieldD> &v, std::vector<FieldD> &z, FieldD &w, int iter) {
FieldF v_f(SinglePrecGrid);
FieldF z_f(SinglePrecGrid);
ChangePrecTimer.Start();
precisionChange(v_f, v[iter]);
precisionChange(z_f, z[iter]);
ChangePrecTimer.Stop();
PrecTimer.Start();
Preconditioner(v_f, z_f);
PrecTimer.Stop();
ChangePrecTimer.Start();
precisionChange(z[iter], z_f);
ChangePrecTimer.Stop();
MatrixTimer.Start();
LinOp.Op(z[iter], w);
MatrixTimer.Stop();
LinalgTimer.Start();
for (int i = 0; i <= iter; ++i) {
H(iter, i) = innerProduct(v[i], w);
w = w - ComplexD(H(iter, i)) * v[i];
}
H(iter, iter + 1) = sqrt(norm2(w));
v[iter + 1] = ComplexD(1. / H(iter, iter + 1)) * w;
LinalgTimer.Stop();
}
void qrUpdate(int iter) {
QrTimer.Start();
for (int i = 0; i < iter ; ++i) {
auto tmp = -s[i] * ComplexD(H(iter, i)) + c[i] * ComplexD(H(iter, i + 1));
H(iter, i) = conjugate(c[i]) * ComplexD(H(iter, i)) + conjugate(s[i]) * ComplexD(H(iter, i + 1));
H(iter, i + 1) = tmp;
}
// Compute new Givens Rotation
auto nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
c[iter] = H(iter, iter) / nu;
s[iter] = H(iter, iter + 1) / nu;
// Apply new Givens rotation
H(iter, iter) = nu;
H(iter, iter + 1) = 0.;
gamma[iter + 1] = -s[iter] * gamma[iter];
gamma[iter] = conjugate(c[iter]) * gamma[iter];
QrTimer.Stop();
}
void computeSolution(std::vector<FieldD> const &z, FieldD &psi, int iter) {
CompSolutionTimer.Start();
for (int i = iter; i >= 0; i--) {
y[i] = gamma[i];
for (int k = i + 1; k <= iter; k++)
y[i] = y[i] - ComplexD(H(k, i)) * y[k];
y[i] = y[i] / ComplexD(H(i, i));
}
for (int i = 0; i <= iter; i++)
psi = psi + z[i] * y[i];
CompSolutionTimer.Stop();
}
};
}
#endif
-138
View File
@@ -1,138 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/NormalEquations.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_NORMAL_EQUATIONS_H
#define GRID_NORMAL_EQUATIONS_H
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////////////////////////////
// Take a matrix and form an NE solver calling a Herm solver
///////////////////////////////////////////////////////////////////////////////////////////////////////
template<class Field> class NormalEquations : public LinearFunction<Field>{
private:
SparseMatrixBase<Field> & _Matrix;
OperatorFunction<Field> & _HermitianSolver;
LinearFunction<Field> & _Guess;
public:
/////////////////////////////////////////////////////
// Wrap the usual normal equations trick
/////////////////////////////////////////////////////
NormalEquations(SparseMatrixBase<Field> &Matrix, OperatorFunction<Field> &HermitianSolver,
LinearFunction<Field> &Guess)
: _Matrix(Matrix), _HermitianSolver(HermitianSolver), _Guess(Guess) {};
void operator() (const Field &in, Field &out){
Field src(in.Grid());
Field tmp(in.Grid());
MdagMLinearOperator<SparseMatrixBase<Field>,Field> MdagMOp(_Matrix);
_Matrix.Mdag(in,src);
_Guess(src,out);
_HermitianSolver(MdagMOp,src,out); // Mdag M out = Mdag in
}
};
template<class Field> class NormalResidual : public LinearFunction<Field>{
private:
SparseMatrixBase<Field> & _Matrix;
OperatorFunction<Field> & _HermitianSolver;
LinearFunction<Field> & _Guess;
public:
/////////////////////////////////////////////////////
// Wrap the usual normal equations trick
/////////////////////////////////////////////////////
NormalResidual(SparseMatrixBase<Field> &Matrix, OperatorFunction<Field> &HermitianSolver,
LinearFunction<Field> &Guess)
: _Matrix(Matrix), _HermitianSolver(HermitianSolver), _Guess(Guess) {};
void operator() (const Field &in, Field &out){
Field res(in.Grid());
Field tmp(in.Grid());
MMdagLinearOperator<SparseMatrixBase<Field>,Field> MMdagOp(_Matrix);
_Guess(in,res);
_HermitianSolver(MMdagOp,in,res); // M Mdag res = in ;
_Matrix.Mdag(res,out); // out = Mdag res
}
};
template<class Field> class HPDSolver : public LinearFunction<Field> {
private:
LinearOperatorBase<Field> & _Matrix;
OperatorFunction<Field> & _HermitianSolver;
LinearFunction<Field> & _Guess;
public:
/////////////////////////////////////////////////////
// Wrap the usual normal equations trick
/////////////////////////////////////////////////////
HPDSolver(LinearOperatorBase<Field> &Matrix,
OperatorFunction<Field> &HermitianSolver,
LinearFunction<Field> &Guess)
: _Matrix(Matrix), _HermitianSolver(HermitianSolver), _Guess(Guess) {};
void operator() (const Field &in, Field &out){
_Guess(in,out);
_HermitianSolver(_Matrix,in,out); //M out = in
}
};
template<class Field> class MdagMSolver : public LinearFunction<Field> {
private:
SparseMatrixBase<Field> & _Matrix;
OperatorFunction<Field> & _HermitianSolver;
LinearFunction<Field> & _Guess;
public:
/////////////////////////////////////////////////////
// Wrap the usual normal equations trick
/////////////////////////////////////////////////////
MdagMSolver(SparseMatrixBase<Field> &Matrix, OperatorFunction<Field> &HermitianSolver,
LinearFunction<Field> &Guess)
: _Matrix(Matrix), _HermitianSolver(HermitianSolver), _Guess(Guess) {};
void operator() (const Field &in, Field &out){
MdagMLinearOperator<SparseMatrixBase<Field>,Field> MdagMOp(_Matrix);
_Guess(in,out);
_HermitianSolver(MdagMOp,in,out); // Mdag M out = Mdag in
}
};
NAMESPACE_END(Grid);
#endif
-111
View File
@@ -1,111 +0,0 @@
#pragma once
namespace Grid {
template<class Field> class PowerMethod
{
public:
template<typename T> static RealD normalise(T& v)
{
RealD nn = norm2(v);
nn = sqrt(nn);
v = v * (1.0/nn);
return nn;
}
RealD operator()(LinearOperatorBase<Field> &HermOp, const Field &src)
{
GridBase *grid = src.Grid();
// quickly get an idea of the largest eigenvalue to more properly normalize the residuum
RealD evalMaxApprox = 0.0;
auto src_n = src;
auto tmp = src;
const int _MAX_ITER_EST_ = 200;
for (int i=0;i<_MAX_ITER_EST_;i++) {
normalise(src_n);
HermOp.HermOp(src_n,tmp);
RealD vnum = real(innerProduct(src_n,tmp)); // HermOp.
RealD vden = norm2(src_n);
RealD na = vnum/vden;
std::cout << GridLogMessage << "PowerMethod: Current approximation of largest eigenvalue " << na << std::endl;
// if ( (fabs(evalMaxApprox/na - 1.0) < 0.0001) || (i==_MAX_ITER_EST_-1) ) {
// evalMaxApprox = na;
// return evalMaxApprox;
// }
evalMaxApprox = na;
src_n = tmp;
}
std::cout << GridLogMessage << " Approximation of largest eigenvalue: " << evalMaxApprox << std::endl;
return evalMaxApprox;
}
};
// Non-Hermitian sibling of PowerMethod. Drives Op() -- the operator the
// caller actually applies -- rather than HermOp(), so it returns |lambda_max|
// of a NON-Hermitian operator and reports the spectral-edge diagnostics the
// Hermitian PowerMethod cannot:
// step 0 : |A v|/|v| on the (random) start src -- a one-sample lower bound
// on sigma_max(A).
// step k : |A v_k| -> |lambda_max| as v_k -> the dominant eigenvector; the
// complex Rayleigh quotient <v,Av> gives its phase (real => on the
// axis, a non-converging oscillation => a conjugate pair of equal
// modulus at the top).
// return : |lambda_max|, with a SUMMARY line flagging non-normality when the
// step-0 sigma_max lower bound sits well above the converged
// |lambda_max| -- the case where the numerical range extends beyond
// the spectrum and a spectrum-based smoother/Chebyshev bound is
// unsafe (the field of values must be used instead).
template<class Field> class PowerMethodNonHermitian
{
public:
template<typename T> static RealD normalise(T& v)
{
RealD nn = sqrt(norm2(v));
v = v * (1.0/nn);
return nn;
}
RealD operator()(LinearOperatorBase<Field> &Op, const Field &src)
{
GridBase *grid = src.Grid();
Field v(grid), Av(grid);
v = src;
RealD ratio = 0.0, ratio0 = 0.0;
ComplexD rq(0.0);
const int _MAX_ITER_EST_ = 200;
for (int i=0;i<_MAX_ITER_EST_;i++) {
normalise(v); // v is now unit
Op.Op(v,Av);
ratio = sqrt(norm2(Av)); // |A v| = |lambda_max| in the limit
rq = innerProduct(v,Av); // complex Rayleigh quotient
if ( i==0 ) {
ratio0 = ratio;
std::cout << GridLogMessage << "PowerMethodNonHermitian: step 0 (random v): |Av|/|v| = "
<< ratio << " [lower bound on sigma_max]" << std::endl;
}
if ( (i%10==0) || (i==_MAX_ITER_EST_-1) )
std::cout << GridLogMessage << "PowerMethodNonHermitian: step " << i << " |Av|/|v| = " << ratio
<< " Rayleigh (" << real(rq) << "," << imag(rq) << ")" << std::endl;
v = Av;
}
std::cout << GridLogMessage << "PowerMethodNonHermitian: |lambda_max| ~ " << ratio
<< " Rayleigh (" << real(rq) << "," << imag(rq) << ")"
<< " phase " << atan2(imag(rq),real(rq)) << " rad"
<< " step-0/converged = " << ratio0/ratio
<< (ratio0/ratio > 1.2 ? " ** non-normal: sigma_max well above |lambda_max| **"
: " (near-normal)")
<< std::endl;
return ratio;
}
};
}
-76
View File
@@ -1,76 +0,0 @@
#pragma once
namespace Grid {
class Band
{
RealD lo, hi;
public:
Band(RealD _lo,RealD _hi)
{
lo=_lo;
hi=_hi;
}
RealD operator() (RealD x){
if ( x>lo && x<hi ){
return 1.0;
} else {
return 0.0;
}
}
};
class PowerSpectrum
{
public:
template<typename T> static RealD normalise(T& v)
{
RealD nn = norm2(v);
nn = sqrt(nn);
v = v * (1.0/nn);
return nn;
}
std::vector<RealD> ranges;
std::vector<int> order;
PowerSpectrum( std::vector<RealD> &bins, std::vector<int> &_order ) : ranges(bins), order(_order) { };
template<class Field>
RealD operator()(LinearOperatorBase<Field> &HermOp, const Field &src)
{
GridBase *grid = src.Grid();
int N=ranges.size();
RealD hi = ranges[N-1];
RealD lo_band = 0.0;
RealD hi_band;
RealD nn=norm2(src);
RealD ss=0.0;
Field tmp = src;
for(int b=0;b<N;b++){
hi_band = ranges[b];
Band Notch(lo_band,hi_band);
Chebyshev<Field> polynomial;
polynomial.Init(0.0,hi,order[b],Notch);
polynomial.JacksonSmooth();
polynomial(HermOp,src,tmp) ;
RealD p=norm2(tmp);
ss=ss+p;
std::cout << GridLogMessage << " PowerSpectrum Band["<<lo_band<<","<<hi_band<<"] power "<<norm2(tmp)/nn<<std::endl;
lo_band=hi_band;
}
std::cout << GridLogMessage << " PowerSpectrum total power "<<ss/nn<<std::endl;
std::cout << GridLogMessage << " PowerSpectrum total power (unnormalised) "<<nn<<std::endl;
return 0;
};
};
}
@@ -1,119 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/PrecConjugateResidual.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_PREC_CONJUGATE_RESIDUAL_H
#define GRID_PREC_CONJUGATE_RESIDUAL_H
NAMESPACE_BEGIN(Grid);
/////////////////////////////////////////////////////////////
// Base classes for iterative processes based on operators
// single input vec, single output vec.
/////////////////////////////////////////////////////////////
template<class Field>
class PrecConjugateResidual : public OperatorFunction<Field> {
public:
RealD Tolerance;
Integer MaxIterations;
int verbose;
LinearFunction<Field> &Preconditioner;
PrecConjugateResidual(RealD tol,Integer maxit,LinearFunction<Field> &Prec) : Tolerance(tol), MaxIterations(maxit), Preconditioner(Prec)
{
verbose=1;
};
void operator() (LinearOperatorBase<Field> &Linop,const Field &src, Field &psi){
RealD a, b, c, d;
RealD cp, ssq,rsq;
RealD rAr, rAAr, rArp;
RealD pAp, pAAp;
GridBase *grid = src.Grid();
Field r(grid), p(grid), Ap(grid), Ar(grid), z(grid);
psi=zero;
r = src;
Preconditioner(r,p);
Linop.HermOpAndNorm(p,Ap,pAp,pAAp);
Ar=Ap;
rAr=pAp;
rAAr=pAAp;
cp =norm2(r);
ssq=norm2(src);
rsq=Tolerance*Tolerance*ssq;
if (verbose) std::cout<<GridLogMessage<<"PrecConjugateResidual: iteration " <<0<<" residual "<<cp<< " target"<< rsq<<std::endl;
for(int k=0;k<MaxIterations;k++){
Preconditioner(Ap,z);
RealD rq= real(innerProduct(Ap,z));
a = rAr/rq;
axpy(psi,a,p,psi);
cp = axpy_norm(r,-a,z,r);
rArp=rAr;
Linop.HermOpAndNorm(r,Ar,rAr,rAAr);
b =rAr/rArp;
axpy(p,b,p,r);
pAAp=axpy_norm(Ap,b,Ap,Ar);
if(verbose) std::cout<<GridLogMessage<<"PrecConjugateResidual: iteration " <<k<<" residual "<<cp<< " target"<< rsq<<std::endl;
if(cp<rsq) {
Linop.HermOp(psi,Ap);
axpy(r,-1.0,src,Ap);
RealD true_resid = norm2(r)/ssq;
std::cout<<GridLogMessage<<"PrecConjugateResidual: Converged on iteration " <<k
<< " computed residual "<<sqrt(cp/ssq)
<< " true residual "<<sqrt(true_resid)
<< " target " <<Tolerance <<std::endl;
return;
}
}
std::cout<<GridLogMessage<<"PrecConjugateResidual did NOT converge"<<std::endl;
GRID_ASSERT(0);
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,75 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/PrecGeneralisedConjugateResidual.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_PREC_GCR_H
#define GRID_PREC_GCR_H
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////////////////////////////
// Hermitian spelling of PrecGeneralisedConjugateResidualNonHermitian.
//
// The algorithm is the same; only the operator entry point differs. The solver
// drives Linop.Op(), while a caller of this class means "invert HermOp", so the
// operator is wrapped in HermOpAdaptor. The wrap is what makes the two classes
// one: for an operator whose Op() already IS its HermOp() (HermitianLinearOperator,
// Gamma5R5HermitianLinearOperator, HermOpAdaptor) it changes nothing, and for one
// where they differ (MdagMLinearOperator: Op()=M, HermOp()=MdagM) it preserves the
// Hermitian meaning the caller asked for.
//
// A non-zero initial guess is respected. Callers that guarantee x0 = 0 can call
// SetZeroGuess(1) to skip the first r0 = src - A x0 apply.
///////////////////////////////////////////////////////////////////////////////////////////////////////
template<class Field>
class PrecGeneralisedConjugateResidual : public LinearFunction<Field> {
// Declaration order is initialisation order: the adaptor is complete before
// the solver binds its reference to it.
HermOpAdaptor<Field> HermLinop;
PrecGeneralisedConjugateResidualNonHermitian<Field> GCR;
public:
using LinearFunction<Field>::operator();
PrecGeneralisedConjugateResidual(RealD tol,Integer maxit,LinearOperatorBase<Field> &Linop,
LinearFunction<Field> &Prec,int mmax,int nstep)
: HermLinop(Linop),
GCR(tol,maxit,HermLinop,Prec,mmax,nstep) {};
void operator() (const Field &src, Field &psi) { GCR(src,psi); };
void Name(std::string n) { GCR.Name(n); };
void Level(int n) { GCR.Level(n); };
void SetZeroGuess(int z) { GCR.SetZeroGuess(z); };
int Steps(void) const { return GCR.Steps(); };
void LogCoefficients(int l) { GCR.LogCoefficients(l); };
void SetCoefficientRecorder(GCRCoefficients *r){ GCR.SetCoefficientRecorder(r); };
void ReleaseHistory(void) { GCR.ReleaseHistory(); };
};
NAMESPACE_END(Grid);
#endif
@@ -1,358 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/PrecGeneralisedConjugateResidual.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_PREC_GCR_NON_HERM_H
#define GRID_PREC_GCR_NON_HERM_H
#include <Grid/algorithms/iterative/GCRCoefficients.h>
///////////////////////////////////////////////////////////////////////////////////////////////////////
//VPGCR Abe and Zhang, 2005.
//INTERNATIONAL JOURNAL OF NUMERICAL ANALYSIS AND MODELING
//Computing and Information Volume 2, Number 2, Pages 147-161
//NB. Likely not original reference since they are focussing on a preconditioner variant.
// but VPGCR was nicely written up in their paper
///////////////////////////////////////////////////////////////////////////////////////////////////////
NAMESPACE_BEGIN(Grid);
#define GCRLogLevel std::cout << GridLogMessage <<std::string(level,'\t')<< name<<" "
template<class Field>
class PrecGeneralisedConjugateResidualNonHermitian : public LinearFunction<Field> {
public:
using LinearFunction<Field>::operator();
PrecGeneralisedConjugateResidualNonHermitian(RealD tol,Integer maxit,LinearOperatorBase<Field> &_Linop,LinearFunction<Field> &Prec,int _mmax,int _nstep) :
Tolerance(tol),
MaxIterations(maxit),
mmax(_mmax),
nstep(_nstep),
Preconditioner(Prec),
Linop(_Linop)
{
Level(1);
verbose=1;
trivial_prec = Preconditioner.isTrivial();
};
// The name is also the trace range's, so a profile separates the four
// instances (Fouter, Fsmoother, Couter, Csmoother) that otherwise nest
// indistinguishably as one shared range.
void Name(std::string _name) { name = _name; trace_step = name + " PGCR_step"; };
void Level(int n) { Name("Level " + std::to_string(n)); level = n; }
void SetZeroGuess(int z) { ZeroGuess = z; };
// Steps taken by the last solve.
int Steps(void) const { return steps; };
// Coefficient logging: one line per step with the step length a_k and the
// orthogonalisation coefficients b_{k,j}. These are the data from which a
// FIXED polynomial smoother can be harvested: if they are stable from call
// to call, the adaptive GCR can be replaced by a stationary p(A) with the
// same applies and no reductions. Off by default; boss rank prints.
void LogCoefficients(int l) { LogCoeffs = l; };
// Optional recorder of the per-step coefficients (means over calls), for
// replay by GCRReplaySmoother (Smoothers.h). Records only; no effect on
// the iteration.
void SetCoefficientRecorder(GCRCoefficients *r) { Recorder = r; if(r) r->mmax = mmax; };
// Free the persistent history (e.g. when this solver is replaced by a
// replayed polynomial): re-made on the next call if ever needed again.
void ReleaseHistory(void) { q.clear(); p.clear(); qq.clear(); hist_grid = nullptr; };
private:
RealD Tolerance;
RealD SSQ;
Integer MaxIterations;
int verbose;
int mmax;
int nstep;
int steps;
int level;
GridStopWatch PrecTimer;
GridStopWatch MatTimer;
GridStopWatch LinalgTimer;
std::string name;
std::string trace_step = "PGCR_step"; // name + step; see Name()
int ZeroGuess = 0; // caller contract: guess is always zero => first-cycle r0 = src, skip the apply
// persistent GCR history (see GCRnStep)
GridBase *hist_grid = nullptr;
std::vector<Field> q;
std::vector<Field> p;
std::vector<RealD> qq;
int FirstCycle = 0;
int LogCoeffs = 0;
int trivial_prec; // Preconditioner is the identity: p == r, copies fold away
GCRCoefficients *Recorder = nullptr;
LinearFunction<Field> &Preconditioner;
LinearOperatorBase<Field> &Linop;
public:
void operator() (const Field &src, Field &psi){
// psi=Zero();
RealD cp, ssq,rsq;
ssq=norm2(src);
SSQ=ssq;
rsq=Tolerance*Tolerance*ssq;
Field r(src.Grid());
PrecTimer.Reset();
MatTimer.Reset();
LinalgTimer.Reset();
GridStopWatch SolverTimer;
SolverTimer.Start();
steps=0;
FirstCycle=1;
for(int k=0;k<MaxIterations;k++){
cp=GCRnStep(src,psi,rsq);
GCRLogLevel <<"PGCR("<<mmax<<","<<nstep<<") "<< steps <<" steps cp = "<<sqrt(cp/ssq)<<" target "<<sqrt(rsq/ssq) <<std::endl;
if(cp<rsq) {
SolverTimer.Stop();
Linop.Op(psi,r);
axpy(r,-1.0,src,r);
RealD tr = norm2(r);
GCRLogLevel<<"PGCR: Converged on iteration " <<steps
<< " computed residual "<<sqrt(cp/ssq)
<< " true residual " <<sqrt(tr/ssq)
<< " target " <<Tolerance <<std::endl;
GCRLogLevel<<"PGCR Time elapsed: Total "<< SolverTimer.Elapsed() <<std::endl;
return;
}
}
GCRLogLevel<<"Variable Preconditioned GCR did not converge"<<std::endl;
// GRID_ASSERT(0);
}
private:
RealD GCRnStep(const Field &src, Field &psi,RealD rsq){
RealD cp;
ComplexD a, b;
ComplexD rq;
GridBase *grid = src.Grid();
// Only r and one scratch for the restart residual; the new p/q directions
// are produced directly in their persistent history slots.
Field r(grid);
Field Az(grid);
////////////////////////////////
// history for flexible orthog
////////////////////////////////
// History arrays are PERSISTENT across calls (allocated once per grid,
// re-made only if the grid or mmax changes). The per-call form
// std::vector<Field>(mmax,grid) built a temporary and copy-constructed it
// mmax times on every restart cycle -- measured ~5 ms per fine-smoother
// call. Safe: every entry is written before it is read within a cycle
// (q[kp],p[kp] assigned before the northog loop can reach them), so no
// stale content is ever consumed.
if ( hist_grid != grid || (int)q.size() != mmax ) {
q.clear(); p.clear();
q.reserve(mmax); p.reserve(mmax);
for(int i=0;i<mmax;i++){ q.emplace_back(grid); p.emplace_back(grid); }
qq.assign(mmax, 0.0);
hist_grid = grid;
}
GCRLogLevel<< "PGCR nStep("<<nstep<<")"<<std::endl;
//////////////////////////////////
// r0 = src - A x0. ZeroGuess: on the first cycle x0==0 by caller
// contract (enforced here), so r0 = src exactly; skip the apply.
// Restart cycles (psi!=0) always do the full computation.
//////////////////////////////////
// The residual is READ through rp and only materialised in r when it is
// first written, at the k=0 update. On a zero-guess first cycle r0 IS src,
// so no copy is made; a restart cycle computes r and rp points at it.
const Field *rp = &src;
GRID_ASSERT(nstep>=1); // psi is first written at k=0; see zero_start below
int zero_start = (ZeroGuess && FirstCycle);
if ( !zero_start ) {
MatTimer.Start();
Linop.Op(psi,Az);
MatTimer.Stop();
LinalgTimer.Start();
r=src-Az;
LinalgTimer.Stop();
rp = &r;
}
FirstCycle=0;
/////////////////////
// p = Prec(r)
/////////////////////
// p[0] = Prec(r), q[0] = A p[0], written straight into the history slots.
// This copy is forced even for a trivial preconditioner: p[0] is history and
// must survive while the residual evolves.
PrecTimer.Start();
Preconditioner(*rp,p[0]);
PrecTimer.Stop();
MatTimer.Start();
Linop.Op(p[0],q[0]);
MatTimer.Stop();
LinalgTimer.Start();
qq[0]= norm2(q[0]);
cp =norm2(*rp);
LinalgTimer.Stop();
GCRLogLevel<< "PGCR true residual "<< sqrt(cp/SSQ) <<std::endl;
for(int k=0;k<nstep;k++){
GRID_TRACE(trace_step.c_str());
steps++;
int kp = k+1;
int peri_k = k %mmax;
int peri_kp= kp%mmax;
LinalgTimer.Start();
rq= innerProduct(q[peri_k],*rp); // what if rAr not real?
a = rq/qq[peri_k];
if ( Recorder ) Recorder->RecordA(k,a);
// On a zero-guess first step psi is still unwritten, and the update would
// be a*p added to zero: assign it instead, so psi is never zeroed.
if ( zero_start && (k==0) ) psi = a*p[peri_k];
else axpy(psi,a,p[peri_k],psi);
#ifdef GRID_GCR_RESIDUAL_RECURRENCE
// |r - a q|^2 = |r|^2 - |<q,r>|^2/|q|^2 with a = <q,r>/|q|^2, so the new
// residual norm follows from scalars already in hand and the reduction in
// axpy_norm is not needed. cp then DRIFTS rather than being measured; the
// true residual is recomputed at restart and at convergence, which bounds
// the exposure. The drift only matters for an instance driven to a tight
// tolerance -- the outer solver -- and there it is the same computed-vs-true
// residual gap that CG lives with; the smoother and coarse instances run at
// fixed work or loose tolerance and are indifferent to it.
// Explicit re/im: ComplexD is thrust::complex under HIP.
axpy(r,-a,q[peri_k],*rp);
cp = cp - (real(rq)*real(rq)+imag(rq)*imag(rq))/qq[peri_k];
if ( cp < 0.0 ) cp = 0.0; // drift can undershoot; keeps the log finite
#else
cp = axpy_norm(r,-a,q[peri_k],*rp);
#endif
rp = &r; // the residual now lives in r; src is untouched from here on
LinalgTimer.Stop();
if ( LogCoeffs ) {
GCRLogLevel<<"coeff["<<k<<"] a=("<<real(a)<<","<<imag(a)<<")"
<<" |r|/|r0|="<<sqrt(cp/SSQ)<<std::endl;
}
GCRLogLevel<< "PGCR step["<<steps<<"] resid " << sqrt(cp/SSQ)<<std::endl;
if((k==nstep-1)||(cp<rsq)){
return cp;
}
// New direction written straight into its history slot: p = Prec(r), q = A p.
// For a trivial preconditioner p[kp] would only be a copy of the residual,
// so the operator is applied to the residual directly and the copy folds
// into the orthogonalisation pass below.
if ( trivial_prec ) {
MatTimer.Start();
Linop.Op(*rp,q[peri_kp]);
MatTimer.Stop();
} else {
PrecTimer.Start();
Preconditioner(*rp,p[peri_kp]);
PrecTimer.Stop();
MatTimer.Start();
Linop.Op(p[peri_kp],q[peri_kp]);
MatTimer.Stop();
}
LinalgTimer.Start();
int northog = ((kp)>(mmax-1))?(mmax-1):(kp); // if more than mmax done, we orthog all mmax history.
std::ostringstream bs;
// Classical Gram-Schmidt: every coefficient is taken against the
// UN-updated new q (so all northog inner products are independent and
// batchable), then the window is applied. The coefficient is complex:
// for a non-Hermitian operator <q_j,Aq> is complex and keeping only the
// real part left the q's non-orthogonal.
// Batched: one fused kernel + one reduction for all coefficients,
// one fused pass per update (independent of mmax).
std::vector<const Field*> qwin(northog), pwin(northog);
for(int back=0;back<northog;back++){
int peri_back=(k-back)%mmax; GRID_ASSERT((k-back)>=0);
GRID_ASSERT(peri_back!=peri_kp);
qwin[back] = &q[peri_back];
pwin[back] = &p[peri_back];
}
std::vector<ComplexD> bcoef;
innerProductMulti(bcoef,qwin,q[peri_kp]);
for(int back=0;back<northog;back++){
int peri_back=(k-back)%mmax;
bcoef[back] = -bcoef[back]/qq[peri_back];
if ( LogCoeffs ) bs<<" b["<<back<<"]="<<bcoef[back];
}
if ( Recorder && northog ) Recorder->RecordB(k,bcoef);
// axpyMultiNorm returns |q|^2 from the update pass, so qq is complete here:
// a separate norm2 would be a second reduction and a second GlobalSum.
if ( northog ) {
if ( trivial_prec ) axpyMultiFrom(p[peri_kp],*rp,bcoef,pwin);
else axpyMulti(p[peri_kp],bcoef,pwin);
qq[peri_kp]=axpyMultiNorm(q[peri_kp],bcoef,qwin);
} else {
if ( trivial_prec ) p[peri_kp] = *rp; // no pass to fold the copy into
qq[peri_kp]=norm2(q[peri_kp]);
}
if ( LogCoeffs && northog ) {
GCRLogLevel<<"coeff["<<k<<"]"<<bs.str()<<std::endl;
}
LinalgTimer.Stop();
}
GRID_ASSERT(0); // never reached
return cp;
}
};
NAMESPACE_END(Grid);
#undef GCRLogLevel
#endif
@@ -1,371 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithmsf/iterative/QuasiMinimalResidual.h
Copyright (C) 2019
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
template<class Field>
RealD innerG5ProductReal(Field &l, Field &r)
{
Gamma G5(Gamma::Algebra::Gamma5);
Field tmp(l.Grid());
// tmp = G5*r;
G5R5(tmp,r);
ComplexD ip =innerProduct(l,tmp);
std::cout << "innerProductRealG5R5 "<<ip<<std::endl;
return ip.real();
}
template<class Field>
class QuasiMinimalResidual : public OperatorFunction<Field> {
public:
using OperatorFunction<Field>::operator();
bool ErrorOnNoConverge;
RealD Tolerance;
Integer MaxIterations;
Integer IterationCount;
QuasiMinimalResidual(RealD tol,
Integer maxit,
bool err_on_no_conv = true)
: Tolerance(tol)
, MaxIterations(maxit)
, ErrorOnNoConverge(err_on_no_conv)
{};
#if 1
void operator()(LinearOperatorBase<Field> &LinOp, const Field &b, Field &x)
{
RealD resid;
IterationCount=0;
RealD rho, rho_1, xi, gamma, gamma_1, theta, theta_1;
RealD eta, delta, ep, beta;
GridBase *Grid = b.Grid();
Field r(Grid), d(Grid), s(Grid);
Field v(Grid), w(Grid), y(Grid), z(Grid);
Field v_tld(Grid), w_tld(Grid), y_tld(Grid), z_tld(Grid);
Field p(Grid), q(Grid), p_tld(Grid);
Real normb = norm2(b);
LinOp.Op(x,r); r = b - r;
GRID_ASSERT(normb> 0.0);
resid = norm2(r)/normb;
if (resid <= Tolerance) {
return;
}
v_tld = r;
y = v_tld;
rho = norm2(y);
// Take Gamma5 conjugate
// Gamma G5(Gamma::Algebra::Gamma5);
// G5R5(w_tld,r);
// w_tld = G5* v_tld;
w_tld=v_tld;
z = w_tld;
xi = norm2(z);
gamma = 1.0;
eta = -1.0;
theta = 0.0;
for (int i = 1; i <= MaxIterations; i++) {
// Breakdown tests
GRID_ASSERT( rho != 0.0);
GRID_ASSERT( xi != 0.0);
v = (1. / rho) * v_tld;
y = (1. / rho) * y;
w = (1. / xi) * w_tld;
z = (1. / xi) * z;
ComplexD Zdelta = innerProduct(z, y); // Complex?
std::cout << "Zdelta "<<Zdelta<<std::endl;
delta = Zdelta.real();
y_tld = y;
z_tld = z;
if (i > 1) {
p = y_tld - (xi * delta / ep) * p;
q = z_tld - (rho * delta / ep) * q;
} else {
p = y_tld;
q = z_tld;
}
LinOp.Op(p,p_tld); // p_tld = A * p;
ComplexD Zep = innerProduct(q, p_tld);
ep=Zep.real();
std::cout << "Zep "<<Zep <<std::endl;
// Complex Audit
GRID_ASSERT(abs(ep)>0);
beta = ep / delta;
GRID_ASSERT(abs(beta)>0);
v_tld = p_tld - beta * v;
y = v_tld;
rho_1 = rho;
rho = norm2(y);
LinOp.AdjOp(q,w_tld);
w_tld = w_tld - beta * w;
z = w_tld;
xi = norm2(z);
gamma_1 = gamma;
theta_1 = theta;
theta = rho / (gamma_1 * beta);
gamma = 1.0 / sqrt(1.0 + theta * theta);
std::cout << "theta "<<theta<<std::endl;
std::cout << "gamma "<<gamma<<std::endl;
GRID_ASSERT(abs(gamma)> 0.0);
eta = -eta * rho_1 * gamma* gamma / (beta * gamma_1 * gamma_1);
if (i > 1) {
d = eta * p + (theta_1 * theta_1 * gamma * gamma) * d;
s = eta * p_tld + (theta_1 * theta_1 * gamma * gamma) * s;
} else {
d = eta * p;
s = eta * p_tld;
}
x =x+d; // update approximation vector
r =r-s; // compute residual
if ((resid = norm2(r) / normb) <= Tolerance) {
return;
}
std::cout << "Iteration "<<i<<" resid " << resid<<std::endl;
}
GRID_ASSERT(0);
return; // no convergence
}
#else
// QMRg5 SMP thesis
void operator()(LinearOperatorBase<Field> &LinOp, const Field &b, Field &x)
{
// Real scalars
GridBase *grid = b.Grid();
Field r(grid);
Field p_m(grid), p_m_minus_1(grid), p_m_minus_2(grid);
Field v_m(grid), v_m_minus_1(grid), v_m_plus_1(grid);
Field tmp(grid);
RealD w;
RealD z1, z2;
RealD delta_m, delta_m_minus_1;
RealD c_m_plus_1, c_m, c_m_minus_1;
RealD s_m_plus_1, s_m, s_m_minus_1;
RealD alpha, beta, gamma, epsilon;
RealD mu, nu, rho, theta, xi, chi;
RealD mod2r, mod2b;
RealD tau2, target2;
mod2b=norm2(b);
/////////////////////////
// Initial residual
/////////////////////////
LinOp.Op(x,tmp);
r = b - tmp;
/////////////////////////
// \mu = \rho = |r_0|
/////////////////////////
mod2r = norm2(r);
rho = sqrt( mod2r);
mu=rho;
std::cout << "QuasiMinimalResidual rho "<< rho<<std::endl;
/////////////////////////
// Zero negative history
/////////////////////////
v_m_plus_1 = Zero();
v_m_minus_1 = Zero();
p_m_minus_1 = Zero();
p_m_minus_2 = Zero();
// v0
v_m = (1.0/rho)*r;
/////////////////////////
// Initial coeffs
/////////////////////////
delta_m_minus_1 = 1.0;
c_m_minus_1 = 1.0;
c_m = 1.0;
s_m_minus_1 = 0.0;
s_m = 0.0;
/////////////////////////
// Set up convergence check
/////////////////////////
tau2 = mod2r;
target2 = mod2b * Tolerance*Tolerance;
for(int iter = 0 ; iter < MaxIterations; iter++){
/////////////////////////
// \delta_m = (v_m, \gamma_5 v_m)
/////////////////////////
delta_m = innerG5ProductReal(v_m,v_m);
std::cout << "QuasiMinimalResidual delta_m "<< delta_m<<std::endl;
/////////////////////////
// tmp = A v_m
/////////////////////////
LinOp.Op(v_m,tmp);
/////////////////////////
// \alpha = (v_m, \gamma_5 temp) / \delta_m
/////////////////////////
alpha = innerG5ProductReal(v_m,tmp);
alpha = alpha/delta_m ;
std::cout << "QuasiMinimalResidual alpha "<< alpha<<std::endl;
/////////////////////////
// \beta = \rho \delta_m / \delta_{m-1}
/////////////////////////
beta = rho * delta_m / delta_m_minus_1;
std::cout << "QuasiMinimalResidual beta "<< beta<<std::endl;
/////////////////////////
// \tilde{v}_{m+1} = temp - \alpha v_m - \beta v_{m-1}
/////////////////////////
v_m_plus_1 = tmp - alpha*v_m - beta*v_m_minus_1;
///////////////////////////////
// \rho = || \tilde{v}_{m+1} ||
///////////////////////////////
rho = sqrt( norm2(v_m_plus_1) );
std::cout << "QuasiMinimalResidual rho "<< rho<<std::endl;
///////////////////////////////
// v_{m+1} = \tilde{v}_{m+1}
///////////////////////////////
v_m_plus_1 = (1.0 / rho) * v_m_plus_1;
////////////////////////////////
// QMR recurrence coefficients.
////////////////////////////////
theta = s_m_minus_1 * beta;
gamma = c_m_minus_1 * beta;
epsilon = c_m * gamma + s_m * alpha;
xi = -s_m * gamma + c_m * alpha;
nu = sqrt( xi*xi + rho*rho );
c_m_plus_1 = fabs(xi) / nu;
if ( xi == 0.0 ) {
s_m_plus_1 = 1.0;
} else {
s_m_plus_1 = c_m_plus_1 * rho / xi;
}
chi = c_m_plus_1 * xi + s_m_plus_1 * rho;
std::cout << "QuasiMinimalResidual coeffs "<< theta <<" "<<gamma<<" "<< epsilon<<" "<< xi<<" "<< nu<<std::endl;
std::cout << "QuasiMinimalResidual coeffs "<< chi <<std::endl;
////////////////////////////////
//p_m=(v_m - \epsilon p_{m-1} - \theta p_{m-2}) / \chi
////////////////////////////////
p_m = (1.0/chi) * v_m - (epsilon/chi) * p_m_minus_1 - (theta/chi) * p_m_minus_2;
////////////////////////////////////////////////////////////////
// \psi = \psi + c_{m+1} \mu p_m
////////////////////////////////////////////////////////////////
x = x + ( c_m_plus_1 * mu ) * p_m;
////////////////////////////////////////
//
////////////////////////////////////////
mu = -s_m_plus_1 * mu;
delta_m_minus_1 = delta_m;
c_m_minus_1 = c_m;
c_m = c_m_plus_1;
s_m_minus_1 = s_m;
s_m = s_m_plus_1;
////////////////////////////////////
// Could use pointer swizzle games.
////////////////////////////////////
v_m_minus_1 = v_m;
v_m = v_m_plus_1;
p_m_minus_2 = p_m_minus_1;
p_m_minus_1 = p_m;
/////////////////////////////////////
// Convergence checks
/////////////////////////////////////
z1 = RealD(iter+1.0);
z2 = z1 + 1.0;
tau2 = tau2 *( z2 / z1 ) * s_m * s_m;
std::cout << " QuasiMinimumResidual iteration "<< iter<<std::endl;
std::cout << " QuasiMinimumResidual tau bound "<< tau2<<std::endl;
// Compute true residual
mod2r = tau2;
if ( 1 || (tau2 < (100.0 * target2)) ) {
LinOp.Op(x,tmp);
r = b - tmp;
mod2r = norm2(r);
std::cout << " QuasiMinimumResidual true residual is "<< mod2r<<std::endl;
}
if ( mod2r < target2 ) {
std::cout << " QuasiMinimumResidual has converged"<<std::endl;
return;
}
}
}
#endif
};
NAMESPACE_END(Grid);
-732
View File
@@ -1,732 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/iterative/SchurRedBlack.h
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_SCHUR_RED_BLACK_H
#define GRID_SCHUR_RED_BLACK_H
/*
* Red black Schur decomposition
*
* M = (Mee Meo) = (1 0 ) (Mee 0 ) (1 Mee^{-1} Meo)
* (Moe Moo) (Moe Mee^-1 1 ) (0 Moo-Moe Mee^-1 Meo) (0 1 )
* = L D U
*
* L^-1 = (1 0 )
* (-MoeMee^{-1} 1 )
* L^{dag} = ( 1 Mee^{-dag} Moe^{dag} )
* ( 0 1 )
* L^{-d} = ( 1 -Mee^{-dag} Moe^{dag} )
* ( 0 1 )
*
* U^-1 = (1 -Mee^{-1} Meo)
* (0 1 )
* U^{dag} = ( 1 0)
* (Meo^dag Mee^{-dag} 1)
* U^{-dag} = ( 1 0)
* (-Meo^dag Mee^{-dag} 1)
***********************
* M psi = eta
***********************
*Odd
* i) D_oo psi_o = L^{-1} eta_o
* eta_o' = (D_oo)^dag (eta_o - Moe Mee^{-1} eta_e)
*
* Wilson:
* (D_oo)^{\dag} D_oo psi_o = (D_oo)^dag L^{-1} eta_o
* Stag:
* D_oo psi_o = L^{-1} eta = (eta_o - Moe Mee^{-1} eta_e)
*
* L^-1 eta_o= (1 0 ) (e
* (-MoeMee^{-1} 1 )
*
*Even
* ii) Mee psi_e + Meo psi_o = src_e
*
* => sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
*
*
* TODO: Other options:
*
* a) change checkerboards for Schur e<->o
*
* Left precon by Moo^-1
* b) Doo^{dag} M_oo^-dag Moo^-1 Doo psi_0 = (D_oo)^dag M_oo^-dag Moo^-1 L^{-1} eta_o
* eta_o' = (D_oo)^dag M_oo^-dag Moo^-1 (eta_o - Moe Mee^{-1} eta_e)
*
* Right precon by Moo^-1
* c) M_oo^-dag Doo^{dag} Doo Moo^-1 phi_0 = M_oo^-dag (D_oo)^dag L^{-1} eta_o
* eta_o' = M_oo^-dag (D_oo)^dag (eta_o - Moe Mee^{-1} eta_e)
* psi_o = M_oo^-1 phi_o
* TODO: Deflation
*/
namespace Grid {
///////////////////////////////////////////////////////////////////////////////////////////////////////
// Use base class to share code
///////////////////////////////////////////////////////////////////////////////////////////////////////
///////////////////////////////////////////////////////////////////////////////////////////////////////
// Take a matrix and form a Red Black solver calling a Herm solver
// Use of RB info prevents making SchurRedBlackSolve conform to standard interface
///////////////////////////////////////////////////////////////////////////////////////////////////////
template<class Field> class SchurRedBlackBase {
protected:
typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
OperatorFunction<Field> & _HermitianRBSolver;
int CBfactorise;
bool subGuess;
bool useSolnAsInitGuess; // if true user-supplied solution vector is used as initial guess for solver
public:
SchurRedBlackBase(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false,
const bool _solnAsInitGuess = false) :
_HermitianRBSolver(HermitianRBSolver),
useSolnAsInitGuess(_solnAsInitGuess)
{
CBfactorise = 0;
subtractGuess(initSubGuess);
};
void subtractGuess(const bool initSubGuess)
{
subGuess = initSubGuess;
}
bool isSubtractGuess(void)
{
return subGuess;
}
/////////////////////////////////////////////////////////////
// Shared code
/////////////////////////////////////////////////////////////
void operator() (Matrix & _Matrix,const Field &in, Field &out){
ZeroGuesser<Field> guess;
(*this)(_Matrix,in,out,guess);
}
void operator()(Matrix &_Matrix, const std::vector<Field> &in, std::vector<Field> &out)
{
ZeroGuesser<Field> guess;
(*this)(_Matrix,in,out,guess);
}
void RedBlackSource(Matrix &_Matrix, const std::vector<Field> &in, std::vector<Field> &src_o)
{
GridBase *grid = _Matrix.RedBlackGrid();
Field tmp(grid);
int nblock = in.size();
for(int b=0;b<nblock;b++){
RedBlackSource(_Matrix,in[b],tmp,src_o[b]);
}
}
// James can write his own deflated guesser
// with optimised code for the inner products
// RedBlackSolveSplitGrid();
// RedBlackSolve(_Matrix,src_o,sol_o);
void RedBlackSolution(Matrix &_Matrix, const std::vector<Field> &in, const std::vector<Field> &sol_o, std::vector<Field> &out)
{
GridBase *grid = _Matrix.RedBlackGrid();
Field tmp(grid);
int nblock = in.size();
for(int b=0;b<nblock;b++) {
pickCheckerboard(Even,tmp,in[b]);
RedBlackSolution(_Matrix,sol_o[b],tmp,out[b]);
}
}
template<class Guesser>
void operator()(Matrix &_Matrix, const std::vector<Field> &in, std::vector<Field> &out,Guesser &guess)
{
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
int nblock = in.size();
std::vector<Field> src_o(nblock,grid);
std::vector<Field> sol_o(nblock,grid);
std::vector<Field> guess_save;
Field resid(fgrid);
Field tmp(grid);
////////////////////////////////////////////////
// Prepare RedBlack source
////////////////////////////////////////////////
RedBlackSource(_Matrix,in,src_o);
// for(int b=0;b<nblock;b++){
// RedBlackSource(_Matrix,in[b],tmp,src_o[b]);
// }
////////////////////////////////////////////////
// Make the guesses
////////////////////////////////////////////////
if ( subGuess ) guess_save.resize(nblock,grid);
if(useSolnAsInitGuess) {
for(int b=0;b<nblock;b++){
pickCheckerboard(Odd, sol_o[b], out[b]);
}
} else {
guess(src_o, sol_o);
}
if ( subGuess ) {
for(int b=0;b<nblock;b++){
guess_save[b] = sol_o[b];
}
}
//////////////////////////////////////////////////////////////
// Call the block solver
//////////////////////////////////////////////////////////////
std::cout<<GridLogMessage << "SchurRedBlackBase calling the solver for "<<nblock<<" RHS" <<std::endl;
RedBlackSolve(_Matrix,src_o,sol_o);
////////////////////////////////////////////////
// A2A boolean behavioural control & reconstruct other checkerboard
////////////////////////////////////////////////
for(int b=0;b<nblock;b++) {
if (subGuess) sol_o[b] = sol_o[b] - guess_save[b];
///////// Needs even source //////////////
pickCheckerboard(Even,tmp,in[b]);
RedBlackSolution(_Matrix,sol_o[b],tmp,out[b]);
/////////////////////////////////////////////////
// Check unprec residual if possible
/////////////////////////////////////////////////
if ( ! subGuess ) {
_Matrix.M(out[b],resid);
resid = resid-in[b];
RealD ns = norm2(in[b]);
RealD nr = norm2(resid);
std::cout<<GridLogMessage<< "SchurRedBlackBase solver true unprec resid["<<b<<"] "<<std::sqrt(nr/ns) << std::endl;
} else {
std::cout<<GridLogMessage<< "SchurRedBlackBase Guess subtracted after solve["<<b<<"] " << std::endl;
}
}
}
template<class Guesser>
void operator() (Matrix & _Matrix,const Field &in, Field &out,Guesser &guess){
// FIXME CGdiagonalMee not implemented virtual function
// FIXME use CBfactorise to control schur decomp
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
Field resid(fgrid);
Field src_o(grid);
Field src_e(grid);
Field sol_o(grid);
////////////////////////////////////////////////
// RedBlack source
////////////////////////////////////////////////
RedBlackSource(_Matrix,in,src_e,src_o);
////////////////////////////////
// Construct the guess
////////////////////////////////
if(useSolnAsInitGuess) {
pickCheckerboard(Odd, sol_o, out);
} else {
guess(src_o,sol_o);
}
Field guess_save(grid);
guess_save = sol_o;
//////////////////////////////////////////////////////////////
// Call the red-black solver
//////////////////////////////////////////////////////////////
RedBlackSolve(_Matrix,src_o,sol_o);
////////////////////////////////////////////////
// Fionn A2A boolean behavioural control
////////////////////////////////////////////////
if (subGuess) sol_o= sol_o-guess_save;
///////////////////////////////////////////////////
// RedBlack solution needs the even source
///////////////////////////////////////////////////
RedBlackSolution(_Matrix,sol_o,src_e,out);
// Verify the unprec residual
if ( ! subGuess ) {
_Matrix.M(out,resid);
resid = resid-in;
RealD ns = norm2(in);
RealD nr = norm2(resid);
std::cout<<GridLogMessage << "SchurRedBlackBase solver true unprec resid "<< std::sqrt(nr/ns) << std::endl;
} else {
std::cout << GridLogMessage << "SchurRedBlackBase Guess subtracted after solve." << std::endl;
}
}
/////////////////////////////////////////////////////////////
// Override in derived.
/////////////////////////////////////////////////////////////
virtual void RedBlackSource (Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o) =0;
virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol) =0;
virtual void RedBlackSolve (Matrix & _Matrix,const Field &src_o, Field &sol_o) =0;
virtual void RedBlackSolve (Matrix & _Matrix,const std::vector<Field> &src_o, std::vector<Field> &sol_o)=0;
};
template<class Field> class SchurRedBlackStaggeredSolve : public SchurRedBlackBase<Field> {
public:
typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
SchurRedBlackStaggeredSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false,
const bool _solnAsInitGuess = false)
: SchurRedBlackBase<Field> (HermitianRBSolver,initSubGuess,_solnAsInitGuess)
{
}
//////////////////////////////////////////////////////
// Override RedBlack specialisation
//////////////////////////////////////////////////////
virtual void RedBlackSource(Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)
{
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
Field tmp(grid);
Field Mtmp(grid);
pickCheckerboard(Even,src_e,src);
pickCheckerboard(Odd ,src_o,src);
/////////////////////////////////////////////////////
// src_o = (source_o - Moe MeeInv source_e)
/////////////////////////////////////////////////////
_Matrix.MooeeInv(src_e,tmp); GRID_ASSERT( tmp.Checkerboard() ==Even);
_Matrix.Meooe (tmp,Mtmp); GRID_ASSERT( Mtmp.Checkerboard() ==Odd);
tmp=src_o-Mtmp; GRID_ASSERT( tmp.Checkerboard() ==Odd);
_Matrix.Mooee(tmp,src_o); // Extra factor of "m" in source from dumb choice of matrix norm.
}
virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e_c,Field &sol)
{
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
Field tmp(grid);
Field sol_e(grid);
Field src_e(grid);
src_e = src_e_c; // Const correctness
///////////////////////////////////////////////////
// sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
///////////////////////////////////////////////////
_Matrix.Meooe(sol_o,tmp); GRID_ASSERT( tmp.Checkerboard() ==Even);
src_e = src_e-tmp; GRID_ASSERT( src_e.Checkerboard() ==Even);
_Matrix.MooeeInv(src_e,sol_e); GRID_ASSERT( sol_e.Checkerboard() ==Even);
setCheckerboard(sol,sol_e); GRID_ASSERT( sol_e.Checkerboard() ==Even);
setCheckerboard(sol,sol_o); GRID_ASSERT( sol_o.Checkerboard() ==Odd );
}
virtual void RedBlackSolve (Matrix & _Matrix,const Field &src_o, Field &sol_o)
{
SchurStaggeredOperator<Matrix,Field> _HermOpEO(_Matrix);
this->_HermitianRBSolver(_HermOpEO,src_o,sol_o); GRID_ASSERT(sol_o.Checkerboard()==Odd);
};
virtual void RedBlackSolve (Matrix & _Matrix,const std::vector<Field> &src_o, std::vector<Field> &sol_o)
{
SchurStaggeredOperator<Matrix,Field> _HermOpEO(_Matrix);
this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);
}
};
template<class Field> using SchurRedBlackStagSolve = SchurRedBlackStaggeredSolve<Field>;
///////////////////////////////////////////////////////////////////////////////////////////////////////
// Site diagonal has Mooee on it.
///////////////////////////////////////////////////////////////////////////////////////////////////////
template<class Field> class SchurRedBlackDiagMooeeSolve : public SchurRedBlackBase<Field> {
public:
typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
SchurRedBlackDiagMooeeSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false,
const bool _solnAsInitGuess = false)
: SchurRedBlackBase<Field> (HermitianRBSolver,initSubGuess,_solnAsInitGuess) {};
//////////////////////////////////////////////////////
// Override RedBlack specialisation
//////////////////////////////////////////////////////
virtual void RedBlackSource(Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)
{
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
Field tmp(grid);
Field Mtmp(grid);
pickCheckerboard(Even,src_e,src);
pickCheckerboard(Odd ,src_o,src);
/////////////////////////////////////////////////////
// src_o = Mdag * (source_o - Moe MeeInv source_e)
/////////////////////////////////////////////////////
_Matrix.MooeeInv(src_e,tmp); GRID_ASSERT( tmp.Checkerboard() ==Even);
_Matrix.Meooe (tmp,Mtmp); GRID_ASSERT( Mtmp.Checkerboard() ==Odd);
tmp=src_o-Mtmp; GRID_ASSERT( tmp.Checkerboard() ==Odd);
// get the right MpcDag
SchurDiagMooeeOperator<Matrix,Field> _HermOpEO(_Matrix);
_HermOpEO.MpcDag(tmp,src_o); GRID_ASSERT(src_o.Checkerboard() ==Odd);
}
virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)
{
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
Field tmp(grid);
Field sol_e(grid);
Field src_e_i(grid);
///////////////////////////////////////////////////
// sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
///////////////////////////////////////////////////
_Matrix.Meooe(sol_o,tmp); GRID_ASSERT( tmp.Checkerboard() ==Even);
src_e_i = src_e-tmp; GRID_ASSERT( src_e_i.Checkerboard() ==Even);
_Matrix.MooeeInv(src_e_i,sol_e); GRID_ASSERT( sol_e.Checkerboard() ==Even);
setCheckerboard(sol,sol_e); GRID_ASSERT( sol_e.Checkerboard() ==Even);
setCheckerboard(sol,sol_o); GRID_ASSERT( sol_o.Checkerboard() ==Odd );
}
virtual void RedBlackSolve (Matrix & _Matrix,const Field &src_o, Field &sol_o)
{
SchurDiagMooeeOperator<Matrix,Field> _HermOpEO(_Matrix);
this->_HermitianRBSolver(_HermOpEO,src_o,sol_o); GRID_ASSERT(sol_o.Checkerboard()==Odd);
};
virtual void RedBlackSolve (Matrix & _Matrix,const std::vector<Field> &src_o, std::vector<Field> &sol_o)
{
SchurDiagMooeeOperator<Matrix,Field> _HermOpEO(_Matrix);
this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);
}
};
template<class Field> class NonHermitianSchurRedBlackDiagMooeeSolve : public SchurRedBlackBase<Field>
{
public:
typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
NonHermitianSchurRedBlackDiagMooeeSolve(OperatorFunction<Field>& RBSolver, const bool initSubGuess = false,
const bool _solnAsInitGuess = false)
: SchurRedBlackBase<Field>(RBSolver, initSubGuess, _solnAsInitGuess) {};
//////////////////////////////////////////////////////
// Override RedBlack specialisation
//////////////////////////////////////////////////////
virtual void RedBlackSource(Matrix& _Matrix, const Field& src, Field& src_e, Field& src_o)
{
GridBase* grid = _Matrix.RedBlackGrid();
GridBase* fgrid = _Matrix.Grid();
Field tmp(grid);
Field Mtmp(grid);
pickCheckerboard(Even, src_e, src);
pickCheckerboard(Odd , src_o, src);
/////////////////////////////////////////////////////
// src_o = Mdag * (source_o - Moe MeeInv source_e)
/////////////////////////////////////////////////////
_Matrix.MooeeInv(src_e, tmp); GRID_ASSERT( tmp.Checkerboard() == Even );
_Matrix.Meooe (tmp, Mtmp); GRID_ASSERT( Mtmp.Checkerboard() == Odd );
src_o -= Mtmp; GRID_ASSERT( src_o.Checkerboard() == Odd );
}
virtual void RedBlackSolution(Matrix& _Matrix, const Field& sol_o, const Field& src_e, Field& sol)
{
GridBase* grid = _Matrix.RedBlackGrid();
GridBase* fgrid = _Matrix.Grid();
Field tmp(grid);
Field sol_e(grid);
Field src_e_i(grid);
///////////////////////////////////////////////////
// sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
///////////////////////////////////////////////////
_Matrix.Meooe(sol_o, tmp); GRID_ASSERT( tmp.Checkerboard() == Even );
src_e_i = src_e - tmp; GRID_ASSERT( src_e_i.Checkerboard() == Even );
_Matrix.MooeeInv(src_e_i, sol_e); GRID_ASSERT( sol_e.Checkerboard() == Even );
setCheckerboard(sol, sol_e); GRID_ASSERT( sol_e.Checkerboard() == Even );
setCheckerboard(sol, sol_o); GRID_ASSERT( sol_o.Checkerboard() == Odd );
}
virtual void RedBlackSolve(Matrix& _Matrix, const Field& src_o, Field& sol_o)
{
NonHermitianSchurDiagMooeeOperator<Matrix,Field> _OpEO(_Matrix);
this->_HermitianRBSolver(_OpEO, src_o, sol_o); GRID_ASSERT(sol_o.Checkerboard() == Odd);
}
virtual void RedBlackSolve(Matrix& _Matrix, const std::vector<Field>& src_o, std::vector<Field>& sol_o)
{
NonHermitianSchurDiagMooeeOperator<Matrix,Field> _OpEO(_Matrix);
this->_HermitianRBSolver(_OpEO, src_o, sol_o);
}
};
///////////////////////////////////////////////////////////////////////////////////////////////////////
// Site diagonal is identity, left preconditioned by Mee^inv
// ( 1 - Mee^inv Meo Moo^inv Moe ) phi = Mee_inv ( Mee - Meo Moo^inv Moe Mee^inv ) phi = Mee_inv eta
//
// Solve:
// ( 1 - Mee^inv Meo Moo^inv Moe )^dag ( 1 - Mee^inv Meo Moo^inv Moe ) phi = ( 1 - Mee^inv Meo Moo^inv Moe )^dag Mee_inv eta
//
// Old notation e<->o
//
// Left precon by Moo^-1
// b) (Doo^{dag} M_oo^-dag) (Moo^-1 Doo) psi_o = [ (D_oo)^dag M_oo^-dag ] Moo^-1 L^{-1} eta_o
// eta_o' = (D_oo)^dag M_oo^-dag Moo^-1 (eta_o - Moe Mee^{-1} eta_e)
///////////////////////////////////////////////////////////////////////////////////////////////////////
template<class Field> class SchurRedBlackDiagOneSolve : public SchurRedBlackBase<Field> {
public:
typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
/////////////////////////////////////////////////////
// Wrap the usual normal equations Schur trick
/////////////////////////////////////////////////////
SchurRedBlackDiagOneSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false,
const bool _solnAsInitGuess = false)
: SchurRedBlackBase<Field>(HermitianRBSolver,initSubGuess,_solnAsInitGuess) {};
virtual void RedBlackSource(Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)
{
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
SchurDiagOneOperator<Matrix,Field> _HermOpEO(_Matrix);
Field tmp(grid);
Field Mtmp(grid);
pickCheckerboard(Even,src_e,src);
pickCheckerboard(Odd ,src_o,src);
/////////////////////////////////////////////////////
// src_o = Mpcdag *MooeeInv * (source_o - Moe MeeInv source_e)
/////////////////////////////////////////////////////
_Matrix.MooeeInv(src_e,tmp); GRID_ASSERT( tmp.Checkerboard() ==Even);
_Matrix.Meooe (tmp,Mtmp); GRID_ASSERT( Mtmp.Checkerboard() ==Odd);
Mtmp=src_o-Mtmp;
_Matrix.MooeeInv(Mtmp,tmp); GRID_ASSERT( tmp.Checkerboard() ==Odd);
// get the right MpcDag
_HermOpEO.MpcDag(tmp,src_o); GRID_ASSERT(src_o.Checkerboard() ==Odd);
}
virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)
{
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
Field tmp(grid);
Field sol_e(grid);
///////////////////////////////////////////////////
// sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
///////////////////////////////////////////////////
_Matrix.Meooe(sol_o,tmp); GRID_ASSERT( tmp.Checkerboard() ==Even);
tmp = src_e-tmp; GRID_ASSERT( src_e.Checkerboard() ==Even);
_Matrix.MooeeInv(tmp,sol_e); GRID_ASSERT( sol_e.Checkerboard() ==Even);
setCheckerboard(sol,sol_e); GRID_ASSERT( sol_e.Checkerboard() ==Even);
setCheckerboard(sol,sol_o); GRID_ASSERT( sol_o.Checkerboard() ==Odd );
};
virtual void RedBlackSolve (Matrix & _Matrix,const Field &src_o, Field &sol_o)
{
SchurDiagOneOperator<Matrix,Field> _HermOpEO(_Matrix);
this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);
};
virtual void RedBlackSolve (Matrix & _Matrix,const std::vector<Field> &src_o, std::vector<Field> &sol_o)
{
SchurDiagOneOperator<Matrix,Field> _HermOpEO(_Matrix);
this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);
}
};
///////////////////////////////////////////////////////////////////////////////////////////////////////
// Site diagonal is identity, right preconditioned by Mee^inv
// ( 1 - Meo Moo^inv Moe Mee^inv ) phi =( 1 - Meo Moo^inv Moe Mee^inv ) Mee psi = = eta = eta
//=> psi = MeeInv phi
///////////////////////////////////////////////////////////////////////////////////////////////////////
template<class Field> class SchurRedBlackDiagTwoSolve : public SchurRedBlackBase<Field> {
public:
typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
/////////////////////////////////////////////////////
// Wrap the usual normal equations Schur trick
/////////////////////////////////////////////////////
SchurRedBlackDiagTwoSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false,
const bool _solnAsInitGuess = false)
: SchurRedBlackBase<Field>(HermitianRBSolver,initSubGuess,_solnAsInitGuess) {};
virtual void RedBlackSource(Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)
{
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
SchurDiagTwoOperator<Matrix,Field> _HermOpEO(_Matrix);
Field tmp(grid);
Field Mtmp(grid);
pickCheckerboard(Even,src_e,src);
pickCheckerboard(Odd ,src_o,src);
/////////////////////////////////////////////////////
// src_o = Mdag * (source_o - Moe MeeInv source_e)
/////////////////////////////////////////////////////
_Matrix.MooeeInv(src_e,tmp); GRID_ASSERT( tmp.Checkerboard() ==Even);
_Matrix.Meooe (tmp,Mtmp); GRID_ASSERT( Mtmp.Checkerboard() ==Odd);
tmp=src_o-Mtmp; GRID_ASSERT( tmp.Checkerboard() ==Odd);
// get the right MpcDag
_HermOpEO.MpcDag(tmp,src_o); GRID_ASSERT(src_o.Checkerboard() ==Odd);
}
virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)
{
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
Field sol_o_i(grid);
Field tmp(grid);
Field sol_e(grid);
////////////////////////////////////////////////
// MooeeInv due to pecond
////////////////////////////////////////////////
_Matrix.MooeeInv(sol_o,tmp);
sol_o_i = tmp;
///////////////////////////////////////////////////
// sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
///////////////////////////////////////////////////
_Matrix.Meooe(sol_o_i,tmp); GRID_ASSERT( tmp.Checkerboard() ==Even);
tmp = src_e-tmp; GRID_ASSERT( src_e.Checkerboard() ==Even);
_Matrix.MooeeInv(tmp,sol_e); GRID_ASSERT( sol_e.Checkerboard() ==Even);
setCheckerboard(sol,sol_e); GRID_ASSERT( sol_e.Checkerboard() ==Even);
setCheckerboard(sol,sol_o_i); GRID_ASSERT( sol_o_i.Checkerboard() ==Odd );
};
virtual void RedBlackSolve (Matrix & _Matrix,const Field &src_o, Field &sol_o)
{
SchurDiagTwoOperator<Matrix,Field> _HermOpEO(_Matrix);
this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);
};
virtual void RedBlackSolve (Matrix & _Matrix,const std::vector<Field> &src_o, std::vector<Field> &sol_o)
{
SchurDiagTwoOperator<Matrix,Field> _HermOpEO(_Matrix);
this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);
}
};
template<class Field> class NonHermitianSchurRedBlackDiagTwoSolve : public SchurRedBlackBase<Field>
{
public:
typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
/////////////////////////////////////////////////////
// Wrap the usual normal equations Schur trick
/////////////////////////////////////////////////////
NonHermitianSchurRedBlackDiagTwoSolve(OperatorFunction<Field>& RBSolver, const bool initSubGuess = false,
const bool _solnAsInitGuess = false)
: SchurRedBlackBase<Field>(RBSolver, initSubGuess, _solnAsInitGuess) {};
virtual void RedBlackSource(Matrix& _Matrix, const Field& src, Field& src_e, Field& src_o)
{
GridBase* grid = _Matrix.RedBlackGrid();
GridBase* fgrid = _Matrix.Grid();
Field tmp(grid);
Field Mtmp(grid);
pickCheckerboard(Even, src_e, src);
pickCheckerboard(Odd , src_o, src);
/////////////////////////////////////////////////////
// src_o = Mdag * (source_o - Moe MeeInv source_e)
/////////////////////////////////////////////////////
_Matrix.MooeeInv(src_e, tmp); GRID_ASSERT( tmp.Checkerboard() == Even );
_Matrix.Meooe (tmp, Mtmp); GRID_ASSERT( Mtmp.Checkerboard() == Odd );
src_o -= Mtmp; GRID_ASSERT( src_o.Checkerboard() == Odd );
}
virtual void RedBlackSolution(Matrix& _Matrix, const Field& sol_o, const Field& src_e, Field& sol)
{
GridBase* grid = _Matrix.RedBlackGrid();
GridBase* fgrid = _Matrix.Grid();
Field sol_o_i(grid);
Field tmp(grid);
Field sol_e(grid);
////////////////////////////////////////////////
// MooeeInv due to pecond
////////////////////////////////////////////////
_Matrix.MooeeInv(sol_o, tmp);
sol_o_i = tmp;
///////////////////////////////////////////////////
// sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
///////////////////////////////////////////////////
_Matrix.Meooe(sol_o_i, tmp); GRID_ASSERT( tmp.Checkerboard() == Even );
tmp = src_e - tmp; GRID_ASSERT( src_e.Checkerboard() == Even );
_Matrix.MooeeInv(tmp, sol_e); GRID_ASSERT( sol_e.Checkerboard() == Even );
setCheckerboard(sol, sol_e); GRID_ASSERT( sol_e.Checkerboard() == Even );
setCheckerboard(sol, sol_o_i); GRID_ASSERT( sol_o_i.Checkerboard() == Odd );
};
virtual void RedBlackSolve(Matrix& _Matrix, const Field& src_o, Field& sol_o)
{
NonHermitianSchurDiagTwoOperator<Matrix,Field> _OpEO(_Matrix);
this->_HermitianRBSolver(_OpEO, src_o, sol_o);
};
virtual void RedBlackSolve(Matrix& _Matrix, const std::vector<Field>& src_o, std::vector<Field>& sol_o)
{
NonHermitianSchurDiagTwoOperator<Matrix,Field> _OpEO(_Matrix);
this->_HermitianRBSolver(_OpEO, src_o, sol_o);
}
};
}
#endif
-631
View File
@@ -1,631 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/Aggregates.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
Author: paboyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
NAMESPACE_BEGIN(Grid);
inline RealD AggregatePowerLaw(RealD x)
{
// return std::pow(x,-4);
// return std::pow(x,-3);
return std::pow(x,-5);
}
template<class Fobj,class CComplex,int nbasis>
class Aggregation {
public:
constexpr int Nbasis(void) { return nbasis; };
typedef iVector<CComplex,nbasis > siteVector;
typedef Lattice<siteVector> CoarseVector;
typedef Lattice<iMatrix<CComplex,nbasis > > CoarseMatrix;
typedef Lattice< CComplex > CoarseScalar; // used for inner products on fine field
typedef Lattice<Fobj > FineField;
GridBase *CoarseGrid;
GridBase *FineGrid;
std::vector<Lattice<Fobj> > subspace;
int checkerboard;
int Checkerboard(void){return checkerboard;}
Aggregation(GridBase *_CoarseGrid,GridBase *_FineGrid,int _checkerboard) :
CoarseGrid(_CoarseGrid),
FineGrid(_FineGrid),
subspace(nbasis,_FineGrid),
checkerboard(_checkerboard)
{
};
void GlobalOrthonormalise(void)
{
// Normalise all vectors
for(int i=0;i<nbasis; i++){
RealD scale = std::pow(norm2(subspace[i]),-0.5);
subspace[i] = subspace[i]*scale;
}
for(int i=0;i<nbasis; i++){
for(int j=0;j<i; j++){
basisOrthogonalize(subspace,subspace[i],j);
}
RealD scale = std::pow(norm2(subspace[i]),-0.5);
subspace[i] = subspace[i]*scale;
}
}
void Orthogonalise(void){
CoarseScalar InnerProd(CoarseGrid);
// std::cout << GridLogMessage <<" Block Gramm-Schmidt pass 1"<<std::endl;
blockOrthogonalise(InnerProd,subspace);
}
void ProjectToSubspace(CoarseVector &CoarseVec,const FineField &FineVec){
blockProject(CoarseVec,FineVec,subspace);
}
void PromoteFromSubspace(const CoarseVector &CoarseVec,FineField &FineVec){
FineVec.Checkerboard() = subspace[0].Checkerboard();
blockPromote(CoarseVec,FineVec,subspace);
}
virtual void CreateSubspaceRandom(GridParallelRNG &RNG) {
int nn=nbasis;
RealD scale;
FineField noise(FineGrid);
for(int b=0;b<nn;b++){
subspace[b] = Zero();
gaussian(RNG,noise);
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
subspace[b] = noise;
}
}
virtual void CreateSubspace(GridParallelRNG &RNG,LinearOperatorBase<FineField> &hermop,int nn=nbasis)
{
RealD scale;
ConjugateGradient<FineField> CG(1.0e-4,2000,false);
FineField noise(FineGrid);
FineField Mn(FineGrid);
for(int b=0;b<nn;b++){
subspace[b] = Zero();
gaussian(RNG,noise);
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
hermop.Op(noise,Mn); std::cout<<GridLogMessage << "noise ["<<b<<"] <n|MdagM|n> "<<norm2(Mn)<<std::endl;
for(int i=0;i<2;i++){
CG(hermop,noise,subspace[b]);
noise = subspace[b];
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
hermop.Op(noise,Mn); std::cout<<GridLogMessage << "intermediate["<<i<<"] <i|MdagM|i> "<<norm2(Mn)<<std::endl;
}
hermop.Op(noise,Mn); std::cout<<GridLogMessage << "filtered["<<b<<"] <f|MdagM|f> "<<norm2(Mn)<<std::endl;
subspace[b] = noise;
}
}
virtual void CreateSubspaceGCR(GridParallelRNG &RNG,LinearOperatorBase<FineField> &DiracOp,int nn=nbasis)
{
RealD scale;
TrivialPrecon<FineField> simple_fine;
// PrecGeneralisedConjugateResidualNonHermitian<FineField> GCR(0.001,10,DiracOp,simple_fine,30,30);
// PrecGeneralisedConjugateResidualNonHermitian<FineField> GCR(0.001,10,DiracOp,simple_fine,12,12);
// PrecGeneralisedConjugateResidualNonHermitian<FineField> GCR(0.001,30,DiracOp,simple_fine,12,12);
// PrecGeneralisedConjugateResidualNonHermitian<FineField> GCR(0.0005,30,DiracOp,simple_fine,20,20);
PrecGeneralisedConjugateResidualNonHermitian<FineField> GCR(0.0005,30,DiracOp,simple_fine,10,10);
FineField noise(FineGrid);
FineField src(FineGrid);
FineField guess(FineGrid);
FineField Mn(FineGrid);
for(int b=0;b<nn;b++){
subspace[b] = Zero();
gaussian(RNG,noise);
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
DiracOp.Op(noise,Mn); std::cout<<GridLogMessage << "noise ["<<b<<"] <n|Op|n> "<<innerProduct(noise,Mn)<<std::endl;
for(int i=0;i<3;i++){
// void operator() (const Field &src, Field &psi){
#if 1
if (i==0)std::cout << GridLogMessage << " inverting on noise "<<std::endl;
src = noise;
guess=Zero();
GCR(src,guess);
subspace[b] = guess;
#else
if (i==0)std::cout << GridLogMessage << " inverting on zero "<<std::endl;
src=Zero();
guess = noise;
GCR(src,guess);
subspace[b] = guess;
#endif
noise = subspace[b];
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
DiracOp.Op(noise,Mn); std::cout<<GridLogMessage << "intermediate["<<i<<"] <f|Op|f> "<<innerProduct(noise,Mn)<<" <f|OpDagOp|f>"<<norm2(Mn)<<std::endl;
}
DiracOp.Op(noise,Mn); std::cout<<GridLogMessage << "filtered["<<b<<"] <f|Op|f> "<<innerProduct(noise,Mn)<<" <f|OpDagOp|f>"<<norm2(Mn)<<std::endl;
subspace[b] = noise;
}
GlobalOrthonormalise();
}
////////////////////////////////////////////////////////////////////////////////////////////////
// World of possibilities here. But have tried quite a lot of experiments (250+ jobs run on Summit)
// and this is the best I found
////////////////////////////////////////////////////////////////////////////////////////////////
virtual void CreateSubspaceChebyshev(GridParallelRNG &RNG,LinearOperatorBase<FineField> &hermop,
int nn,
double hi,
double lo,
int orderfilter,
int ordermin,
int orderstep,
double filterlo
) {
RealD scale;
FineField noise(FineGrid);
FineField Mn(FineGrid);
FineField tmp(FineGrid);
// New normalised noise
gaussian(RNG,noise);
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
std::cout << GridLogMessage<<" Chebyshev subspace pass-1 : ord "<<orderfilter<<" ["<<lo<<","<<hi<<"]"<<std::endl;
std::cout << GridLogMessage<<" Chebyshev subspace pass-2 : nbasis"<<nn<<" min "
<<ordermin<<" step "<<orderstep
<<" lo"<<filterlo<<std::endl;
// Initial matrix element
hermop.Op(noise,Mn); std::cout<<GridLogMessage << "noise <n|MdagM|n> "<<norm2(Mn)<<std::endl;
int b =0;
{
ComplexD ip;
// Filter
Chebyshev<FineField> Cheb(lo,hi,orderfilter);
Cheb(hermop,noise,Mn);
// normalise
scale = std::pow(norm2(Mn),-0.5); Mn=Mn*scale;
subspace[b] = Mn;
hermop.Op(Mn,tmp);
ip= innerProduct(Mn,tmp);
std::cout<<GridLogMessage << "filt ["<<b<<"] <n|Op|n> "<<norm2(tmp)<<" "<<ip<<std::endl;
hermop.AdjOp(Mn,tmp);
ip = innerProduct(Mn,tmp);
std::cout<<GridLogMessage << "filt ["<<b<<"] <n|AdjOp|n> "<<norm2(tmp)<<" "<<ip<<std::endl;
b++;
}
// Generate a full sequence of Chebyshevs
{
lo=filterlo;
noise=Mn;
FineField T0(FineGrid); T0 = noise;
FineField T1(FineGrid);
FineField T2(FineGrid);
FineField y(FineGrid);
FineField *Tnm = &T0;
FineField *Tn = &T1;
FineField *Tnp = &T2;
// Tn=T1 = (xscale M + mscale)in
RealD xscale = 2.0/(hi-lo);
RealD mscale = -(hi+lo)/(hi-lo);
hermop.HermOp(T0,y);
T1=y*xscale+noise*mscale;
for(int n=2;n<=ordermin+orderstep*(nn-2);n++){
hermop.HermOp(*Tn,y);
autoView( y_v , y, AcceleratorWrite);
autoView( Tn_v , (*Tn), AcceleratorWrite);
autoView( Tnp_v , (*Tnp), AcceleratorWrite);
autoView( Tnm_v , (*Tnm), AcceleratorWrite);
const int Nsimd = CComplex::Nsimd();
accelerator_for(ss, FineGrid->oSites(), Nsimd, {
coalescedWrite(y_v[ss],xscale*y_v(ss)+mscale*Tn_v(ss));
coalescedWrite(Tnp_v[ss],2.0*y_v(ss)-Tnm_v(ss));
});
// Possible more fine grained control is needed than a linear sweep,
// but huge productivity gain if this is simple algorithm and not a tunable
int m =1;
if ( n>=ordermin ) m=n-ordermin;
if ( (m%orderstep)==0 ) {
Mn=*Tnp;
scale = std::pow(norm2(Mn),-0.5); Mn=Mn*scale;
subspace[b] = Mn;
ComplexD ip;
hermop.Op(Mn,tmp);
ip= innerProduct(Mn,tmp);
std::cout<<GridLogMessage << "filt ["<<b<<"] <n|Op|n> "<<norm2(tmp)<<" "<<ip<<std::endl;
hermop.AdjOp(Mn,tmp);
ip = innerProduct(Mn,tmp);
std::cout<<GridLogMessage << "filt ["<<b<<"] <n|AdjOp|n> "<<norm2(tmp)<<" "<<ip<<std::endl;
b++;
}
// Cycle pointers to avoid copies
FineField *swizzle = Tnm;
Tnm =Tn;
Tn =Tnp;
Tnp =swizzle;
}
}
GRID_ASSERT(b==nn);
}
virtual void CreateSubspacePolyCheby(GridParallelRNG &RNG,LinearOperatorBase<FineField> &hermop,
int nn,
double hi,
double lo1,
int orderfilter,
double lo2,
int orderstep)
{
RealD scale;
FineField noise(FineGrid);
FineField Mn(FineGrid);
FineField tmp(FineGrid);
// New normalised noise
gaussian(RNG,noise);
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
std::cout << GridLogMessage<<" CreateSubspacePolyCheby "<<std::endl;
// Initial matrix element
hermop.Op(noise,Mn);
std::cout<<GridLogMessage << "noise <n|MdagM|n> "<<norm2(Mn)<<std::endl;
int b =0;
{
// Filter
std::cout << GridLogMessage << "Cheby "<<lo1<<","<<hi<<" "<<orderstep<<std::endl;
Chebyshev<FineField> Cheb(lo1,hi,orderfilter);
Cheb(hermop,noise,Mn);
// normalise
scale = std::pow(norm2(Mn),-0.5); Mn=Mn*scale;
subspace[b] = Mn;
hermop.Op(Mn,tmp);
std::cout<<GridLogMessage << "filt ["<<b<<"] <n|MdagM|n> "<<norm2(tmp)<<std::endl;
std::cout<<GridLogMessage << "filt ["<<b<<"] <n|n> "<<norm2(Mn)<<std::endl;
}
// Generate a full sequence of Chebyshevs
for(int n=1;n<nn;n++){
std::cout << GridLogMessage << "Cheby "<<lo2<<","<<hi<<" "<<orderstep<<std::endl;
Chebyshev<FineField> Cheb(lo2,hi,orderstep);
Cheb(hermop,subspace[n-1],Mn);
for(int m=0;m<n;m++){
ComplexD c = innerProduct(subspace[m],Mn);
Mn = Mn - c*subspace[m];
}
// normalise
scale = std::pow(norm2(Mn),-0.5);
Mn=Mn*scale;
subspace[n]=Mn;
hermop.Op(Mn,tmp);
std::cout<<GridLogMessage << "filt ["<<n<<"] <n|MdagM|n> "<<norm2(tmp)<<std::endl;
std::cout<<GridLogMessage << "filt ["<<n<<"] <n|n> "<<norm2(Mn)<<std::endl;
}
}
virtual void CreateSubspaceChebyshev(GridParallelRNG &RNG,LinearOperatorBase<FineField> &hermop,
int nn,
double hi,
double lo,
int orderfilter
) {
RealD scale;
FineField noise(FineGrid);
FineField Mn(FineGrid);
FineField tmp(FineGrid);
// New normalised noise
std::cout << GridLogMessage<<" Chebyshev subspace pure noise : ord "<<orderfilter<<" ["<<lo<<","<<hi<<"]"<<std::endl;
std::cout << GridLogMessage<<" Chebyshev subspace pure noise : nbasis "<<nn<<std::endl;
for(int b =0;b<nbasis;b++)
{
gaussian(RNG,noise);
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
// Initial matrix element
hermop.Op(noise,Mn);
if(b==0) std::cout<<GridLogMessage << "noise <n|MdagM|n> "<<norm2(Mn)<<std::endl;
// Filter
Chebyshev<FineField> Cheb(lo,hi,orderfilter);
Cheb(hermop,noise,Mn);
scale = std::pow(norm2(Mn),-0.5); Mn=Mn*scale;
// Refine
Chebyshev<FineField> PowerLaw(lo,hi,1000,AggregatePowerLaw);
noise = Mn;
PowerLaw(hermop,noise,Mn);
scale = std::pow(norm2(Mn),-0.5); Mn=Mn*scale;
// normalise
subspace[b] = Mn;
hermop.Op(Mn,tmp);
std::cout<<GridLogMessage << "filt ["<<b<<"] <n|MdagM|n> "<<norm2(tmp)<<std::endl;
}
}
virtual void CreateSubspaceChebyshevPowerLaw(GridParallelRNG &RNG,LinearOperatorBase<FineField> &hermop,
int nn,
double hi,
int orderfilter
) {
RealD scale;
FineField noise(FineGrid);
FineField Mn(FineGrid);
FineField tmp(FineGrid);
// New normalised noise
std::cout << GridLogMessage<<" Chebyshev subspace pure noise : ord "<<orderfilter<<" [0,"<<hi<<"]"<<std::endl;
std::cout << GridLogMessage<<" Chebyshev subspace pure noise : nbasis "<<nn<<std::endl;
for(int b =0;b<nbasis;b++)
{
gaussian(RNG,noise);
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
// Initial matrix element
hermop.Op(noise,Mn);
if(b==0) std::cout<<GridLogMessage << "noise <n|MdagM|n> "<<norm2(Mn)<<std::endl;
// Filter
Chebyshev<FineField> Cheb(0.0,hi,orderfilter,AggregatePowerLaw);
Cheb(hermop,noise,Mn);
// normalise
scale = std::pow(norm2(Mn),-0.5); Mn=Mn*scale;
subspace[b] = Mn;
hermop.Op(Mn,tmp);
std::cout<<GridLogMessage << "filt ["<<b<<"] <n|MdagM|n> "<<norm2(tmp)<<std::endl;
}
}
virtual void CreateSubspaceChebyshevNew(GridParallelRNG &RNG,LinearOperatorBase<FineField> &hermop,
double hi
) {
RealD scale;
FineField noise(FineGrid);
FineField Mn(FineGrid);
FineField tmp(FineGrid);
// New normalised noise
for(int b =0;b<nbasis;b++)
{
gaussian(RNG,noise);
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
// Initial matrix element
hermop.Op(noise,Mn);
if(b==0) std::cout<<GridLogMessage << "noise <n|MdagM|n> "<<norm2(Mn)<<std::endl;
// Filter
//#opt2(x) = acheb(x,3,90,300)* acheb(x,1,90,50) * acheb(x,0.5,90,200) * acheb(x,0.05,90,400) * acheb(x,0.01,90,1500)
/*266
Chebyshev<FineField> Cheb1(3.0,hi,300);
Chebyshev<FineField> Cheb2(1.0,hi,50);
Chebyshev<FineField> Cheb3(0.5,hi,300);
Chebyshev<FineField> Cheb4(0.05,hi,500);
Chebyshev<FineField> Cheb5(0.01,hi,2000);
*/
/* 242 */
/*
Chebyshev<FineField> Cheb3(0.1,hi,300);
Chebyshev<FineField> Cheb2(0.02,hi,1000);
Chebyshev<FineField> Cheb1(0.003,hi,2000);
8?
*/
/* How many??
*/
Chebyshev<FineField> Cheb2(0.001,hi,2500); // 169 iters on HDCG after refine
Chebyshev<FineField> Cheb1(0.02,hi,600);
// Chebyshev<FineField> Cheb2(0.001,hi,1500);
// Chebyshev<FineField> Cheb1(0.02,hi,600);
Cheb1(hermop,noise,Mn); scale = std::pow(norm2(Mn),-0.5); noise=Mn*scale;
hermop.Op(noise,tmp); std::cout<<GridLogMessage << "Cheb1 <n|MdagM|n> "<<norm2(tmp)<<std::endl;
Cheb2(hermop,noise,Mn); scale = std::pow(norm2(Mn),-0.5); noise=Mn*scale;
hermop.Op(noise,tmp); std::cout<<GridLogMessage << "Cheb2 <n|MdagM|n> "<<norm2(tmp)<<std::endl;
// Cheb3(hermop,noise,Mn); scale = std::pow(norm2(Mn),-0.5); noise=Mn*scale;
// hermop.Op(noise,tmp); std::cout<<GridLogMessage << "Cheb3 <n|MdagM|n> "<<norm2(tmp)<<std::endl;
// Cheb4(hermop,noise,Mn); scale = std::pow(norm2(Mn),-0.5); noise=Mn*scale;
// hermop.Op(noise,tmp); std::cout<<GridLogMessage << "Cheb4 <n|MdagM|n> "<<norm2(tmp)<<std::endl;
// Cheb5(hermop,noise,Mn); scale = std::pow(norm2(Mn),-0.5); noise=Mn*scale;
// hermop.Op(noise,tmp); std::cout<<GridLogMessage << "Cheb5 <n|MdagM|n> "<<norm2(tmp)<<std::endl;
subspace[b] = noise;
hermop.Op(subspace[b],tmp);
std::cout<<GridLogMessage << "filt ["<<b<<"] <n|MdagM|n> "<<norm2(tmp)<< " norm " << norm2(noise)<<std::endl;
}
}
virtual void CreateSubspaceMultishift(GridParallelRNG &RNG,LinearOperatorBase<FineField> &hermop,
double Lo,double tol,int maxit)
{
RealD scale;
FineField noise(FineGrid);
FineField Mn(FineGrid);
FineField tmp(FineGrid);
// New normalised noise
std::cout << GridLogMessage<<" Multishift subspace : Lo "<<Lo<<std::endl;
// Filter
// [ 1/6(x+Lo) - 1/2(x+2Lo) + 1/2(x+3Lo) -1/6(x+4Lo) = Lo^3 /[ (x+1Lo)(x+2Lo)(x+3Lo)(x+4Lo) ]
//
// 1/(x+Lo) - 1/(x+2 Lo)
double epsilon = Lo/3;
std::vector<RealD> alpha({1.0/6.0,-1.0/2.0,1.0/2.0,-1.0/6.0});
std::vector<RealD> shifts({Lo,Lo+epsilon,Lo+2*epsilon,Lo+3*epsilon});
std::vector<RealD> tols({tol,tol,tol,tol});
std::cout << "sizes "<<alpha.size()<<" "<<shifts.size()<<" "<<tols.size()<<std::endl;
MultiShiftFunction msf(4,0.0,95.0);
std::cout << "msf constructed "<<std::endl;
msf.poles=shifts;
msf.residues=alpha;
msf.tolerances=tols;
msf.norm=0.0;
msf.order=alpha.size();
ConjugateGradientMultiShift<FineField> MSCG(maxit,msf);
for(int b =0;b<nbasis;b++)
{
gaussian(RNG,noise);
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
// Initial matrix element
hermop.Op(noise,Mn);
if(b==0) std::cout<<GridLogMessage << "noise <n|MdagM|n> "<<norm2(Mn)<<std::endl;
MSCG(hermop,noise,Mn);
scale = std::pow(norm2(Mn),-0.5); Mn=Mn*scale;
subspace[b] = Mn;
hermop.Op(Mn,tmp);
std::cout<<GridLogMessage << "filt ["<<b<<"] <n|MdagM|n> "<<norm2(tmp)<<std::endl;
}
}
virtual void RefineSubspace(LinearOperatorBase<FineField> &hermop,
double Lo,double tol,int maxit)
{
FineField tmp(FineGrid);
for(int b =0;b<nbasis;b++)
{
ConjugateGradient<FineField> CGsloppy(tol,maxit,false);
ShiftedHermOpLinearOperator<FineField> ShiftedFineHermOp(hermop,Lo);
tmp=Zero();
CGsloppy(hermop,subspace[b],tmp);
RealD scale = std::pow(norm2(tmp),-0.5); tmp=tmp*scale;
subspace[b]=tmp;
hermop.Op(subspace[b],tmp);
std::cout<<GridLogMessage << "filt ["<<b<<"] <n|MdagM|n> "<<norm2(tmp)<<std::endl;
}
}
virtual void RefineSubspaceHDCG(LinearOperatorBase<FineField> &hermop,
TwoLevelCGmrhs<FineField> & theHDCG,
int nrhs)
{
std::vector<FineField> src_mrhs(nrhs,FineGrid);
std::vector<FineField> res_mrhs(nrhs,FineGrid);
FineField tmp(FineGrid);
for(int b =0;b<nbasis;b+=nrhs)
{
tmp = subspace[b];
RealD scale = std::pow(norm2(tmp),-0.5); tmp=tmp*scale;
subspace[b] =tmp;
hermop.Op(subspace[b],tmp);
std::cout<<GridLogMessage << "before filt ["<<b<<"] <n|MdagM|n> "<<norm2(tmp)<<std::endl;
for(int r=0;r<MIN(nbasis-b,nrhs);r++){
src_mrhs[r] = subspace[b+r];
}
for(int r=0;r<nrhs;r++){
res_mrhs[r] = Zero();
}
theHDCG(src_mrhs,res_mrhs);
for(int r=0;r<MIN(nbasis-b,nrhs);r++){
tmp = res_mrhs[r];
RealD scale = std::pow(norm2(tmp),-0.5); tmp=tmp*scale;
subspace[b+r]=tmp;
}
hermop.Op(subspace[b],tmp);
std::cout<<GridLogMessage << "after filt ["<<b<<"] <n|MdagM|n> "<<norm2(tmp)<<std::endl;
}
}
};
NAMESPACE_END(Grid);
-234
View File
@@ -1,234 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./Grid/algorithms/multigrid/BlockCyclic.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////
// Scalar of the distributed dense inversion: block-cyclic redistribution,
// SUMMA, the Schur recursion and its LU leaf. A configure-time choice
// (--enable-dense-inverse-precision=double|single), INDEPENDENT of the
// coarse-space precision: the matrix elements arrive in the coarse scalar
// and the apply slab is fp32 either way; only the factorisation's
// arithmetic and footprint follow this type.
///////////////////////////////////////////////////////////////////////////////
#ifdef GRID_DENSE_INVERSE_SINGLE
typedef ComplexF DenseInverseScalar;
#else
typedef ComplexD DenseInverseScalar;
#endif
///////////////////////////////////////////////////////////////////////////////
// BlockCyclicLayout: the index arithmetic of a 2D block-cyclic distribution
// of an N x N matrix over a Pr x Pc logical process grid with block size nb.
//
// This is stage 1 of the 2D distributed dense inverse. It is deliberately
// COMMUNICATOR-FREE: every mapping is a static pure function of
// (N, nb, Pr, Pc), so the whole layout is exhaustively unit-testable on one
// rank with no MPI in the loop (Test_blockcyclic). A thin instance layer
// binds a world rank to a grid coordinate and caches local extents.
//
// Conventions (fixed here, relied on by every later stage):
//
// * Global block b of a dimension with Pg processes is owned by process
// coordinate b % Pg (ScaLAPACK csrc=0), and is that process's local
// block b / Pg.
// * Rank <-> grid coordinate is ROW MAJOR over the process grid:
// rank = p*Pc + q , p = rank/Pc , q = rank%Pc .
// The eventual ring transport must construct its neighbour tables with
// the same convention.
// * Local storage is COLUMN MAJOR with ld = mloc, matching BlockRows:
// local element (i,j) lives at data[i + j*mloc].
// * The trailing partial block (N % nb != 0) belongs to the owner of the
// last full-size block position; only that one block is short.
//
// Element (gi,gj) therefore lives on grid coordinate
// ( (gi/nb) % Pr , (gj/nb) % Pc )
// at local coordinate
// ( ((gi/nb)/Pr)*nb + gi%nb , ((gj/nb)/Pc)*nb + gj%nb ).
//
// Everything here is host-side integer arithmetic; nothing allocates.
///////////////////////////////////////////////////////////////////////////////
class BlockCyclicLayout
{
public:
///////////////////////////////////////////////////////////////////////////
// Closest-to-square factorisation Pr*Pc == P with Pr <= Pc.
// For fixed P the per-rank SUMMA volume N^2 (1/Pr + 1/Pc) is minimised
// at the most square grid. P=288 -> 16 x 18.
///////////////////////////////////////////////////////////////////////////
// Nearest-to-square factorisation with Pr >= Pc. The orientation matters
// for SUMMA: B panels travel along process columns in slots of
// S = ceil(Pc/Pr) panels, padded; with Pr >= Pc, S == 1 and there is no
// padding. (288 as 16x18 had S=2 -- half the B-ring bytes were zeros;
// 18x16 moves ~30% fewer bytes for the same inverse.)
static void ChooseProcessGrid(int P, int &Pr, int &Pc)
{
GRID_ASSERT(P >= 1);
int r = 1;
for(int f=1; (int64_t)f*f <= (int64_t)P; f++)
if ( P % f == 0 ) r = f;
Pc = r;
Pr = P / r;
}
///////////////////////////////////////////////////////////////////////////
// Number of rows (or columns) of a dimension of global extent N, block nb,
// owned by process coordinate p of Pg. ScaLAPACK "numroc", csrc=0.
///////////////////////////////////////////////////////////////////////////
static int64_t NumLocal(int64_t N, int64_t nb, int p, int Pg)
{
GRID_ASSERT(N >= 0);
GRID_ASSERT(nb >= 1);
GRID_ASSERT(p >= 0);
GRID_ASSERT(p < Pg);
int64_t nblocks = N / nb; // full blocks
int64_t extra = N % nb; // trailing partial block
int64_t full = nblocks / Pg; // full blocks everyone owns
int64_t rem = nblocks % Pg; // coords [0,rem) own one more
int64_t n = full*nb;
if ( p < (int)rem ) n += nb; // an extra full block
if ( p == (int)rem ) n += extra; // the partial block, if any
return n;
}
///////////////////////////////////////////////////////////////////////////
// Global index -> (owner coordinate, local index) in one dimension.
///////////////////////////////////////////////////////////////////////////
static void GlobalToLocal(int64_t g, int64_t nb, int Pg,
int &owner, int64_t &loc)
{
GRID_ASSERT(g >= 0);
int64_t b = g / nb; // global block
owner = (int)(b % Pg);
loc = (b / Pg)*nb + (g % nb);
}
///////////////////////////////////////////////////////////////////////////
// (process coordinate, local index) -> global index in one dimension.
// Inverse of GlobalToLocal on the owned set.
///////////////////////////////////////////////////////////////////////////
static int64_t LocalToGlobal(int64_t l, int64_t nb, int p, int Pg)
{
GRID_ASSERT(l >= 0);
int64_t lb = l / nb; // local block
int64_t b = lb*Pg + p; // global block
return b*nb + (l % nb);
}
///////////////////////////////////////////////////////////////////////////
// Instance layer: bind a rank of a Pr x Pc grid.
///////////////////////////////////////////////////////////////////////////
int64_t N; // global matrix dimension (square)
int64_t nb; // block size
int Pr, Pc; // process grid
int me; // world rank within the grid, row major
int prow, pcol;// my grid coordinate
int64_t mloc,nloc; // my local extents; storage column major, ld = mloc
BlockCyclicLayout(int64_t N_, int64_t nb_, int Pr_, int Pc_, int me_)
{
N = N_;
nb = nb_;
Pr = Pr_;
Pc = Pc_;
me = me_;
GRID_ASSERT( N >= 0 );
GRID_ASSERT( nb >= 1 );
GRID_ASSERT( Pr >= 1 );
GRID_ASSERT( Pc >= 1 );
GRID_ASSERT( me >= 0 );
GRID_ASSERT( me < Pr*Pc );
prow = me / Pc; // ROW MAJOR rank convention
pcol = me % Pc;
mloc = NumLocal(N, nb, prow, Pr);
nloc = NumLocal(N, nb, pcol, Pc);
}
// Owning rank of global element (gi,gj), row-major rank convention.
int OwnerRank(int64_t gi, int64_t gj) const
{
int pr,pc; int64_t li,lj;
GlobalToLocal(gi, nb, Pr, pr, li);
GlobalToLocal(gj, nb, Pc, pc, lj);
return pr*Pc + pc;
}
// My local storage offset of global element (gi,gj).
// The caller must know I own it; asserted, not assumed.
int64_t LocalOffset(int64_t gi, int64_t gj) const
{
int pr,pc; int64_t li,lj;
GlobalToLocal(gi, nb, Pr, pr, li);
GlobalToLocal(gj, nb, Pc, pc, lj);
GRID_ASSERT( pr == prow );
GRID_ASSERT( pc == pcol );
return li + lj*mloc; // column major, ld = mloc
}
// Do I own global element (gi,gj)?
int Owns(int64_t gi, int64_t gj) const
{
return OwnerRank(gi,gj) == me;
}
///////////////////////////////////////////////////////////////////////////
// Block-aligned global range [g0,g1) -> my contiguous local range [l0,l1).
//
// For fixed owner p the local index is monotone in the global index, so a
// coordinate's owned elements of ANY global range are contiguous in local
// storage; and for a BLOCK-ALIGNED range the bounds are exactly
// NumLocal(g0) and NumLocal(g1), because NumLocal(g,...) counts the owned
// elements below g. This is what lets a windowed product view the local
// sub-matrix of a global window as &data[l0 + c0*mloc] with the SAME ld --
// no gather, no copy. Verified exhaustively in Test_blockcyclic T7.
//
// g0 must be a block multiple; g1 a block multiple or N itself.
///////////////////////////////////////////////////////////////////////////
static void RangeToLocal(int64_t g0, int64_t g1,
int64_t N, int64_t nb, int p, int Pg,
int64_t &l0, int64_t &l1)
{
GRID_ASSERT( 0 <= g0 );
GRID_ASSERT( g0 <= g1 );
GRID_ASSERT( g1 <= N );
GRID_ASSERT( g0 % nb == 0 );
GRID_ASSERT( (g1 % nb == 0) || (g1 == N) );
l0 = NumLocal(g0, nb, p, Pg);
l1 = NumLocal(g1, nb, p, Pg);
}
// Instance forms, rows and columns of my own coordinate.
void RowRange(int64_t g0, int64_t g1, int64_t &l0, int64_t &l1) const
{ RangeToLocal(g0,g1,N,nb,prow,Pr,l0,l1); }
void ColRange(int64_t g0, int64_t g1, int64_t &l0, int64_t &l1) const
{ RangeToLocal(g0,g1,N,nb,pcol,Pc,l0,l1); }
// Size of global block b (the trailing block may be short).
int64_t BlockSize(int64_t b) const
{
int64_t lo = b*nb;
GRID_ASSERT( lo < N );
return std::min(N, lo+nb) - lo;
}
};
NAMESPACE_END(Grid);
@@ -1,287 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./Grid/algorithms/multigrid/BlockCyclicRedistribute.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/multigrid/BlockCyclicSumma.h>
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////
// My rows of a distributed dense matrix in the 1D rank-major row layout:
// rank r owns contiguous global rows [rowStart[r], rowStart[r+1]) of an
// N x N matrix, stored rows x cols column major, ld = rows; element (i,j)
// at data[i + j*ld]. This is the layout the stencil->dense import
// produces and the apply slab consumes; the 2D inverse slots between them
// through the redistribution below.
///////////////////////////////////////////////////////////////////////////////
class BlockRows
{
public:
deviceVector<DenseInverseScalar> data;
int64_t rows;
int64_t cols;
int64_t ld;
BlockRows()
{
rows = 0;
cols = 0;
ld = 0;
}
void Resize(int64_t r, int64_t c)
{
rows = r;
cols = c;
ld = r;
data.resize((uint64_t)r*c);
}
DenseInverseScalar *ColumnWindow(int64_t col0)
{
GRID_ASSERT( col0 >= 0 );
GRID_ASSERT( col0 <= cols );
return &data[(uint64_t)col0*ld];
}
};
///////////////////////////////////////////////////////////////////////////////
// Stage 4 of the 2D distributed dense inverse: redistribution between the
// 1D rank-major row layout (BlockRows above) and the 2D block-cyclic
// layout.
//
// This is what lets the EXISTING stencil->dense import, its certificate,
// the fp32 slab conversion and the apply path all remain byte-for-byte
// untouched: the 2D inverse slots between them as
//
// RowsToCyclic -> BlockCyclicSchurInverse::Invert -> CyclicToRows
//
// Volume is one matrix pass each way -- N^2/P elements per rank (~1 GB at
// production), trivial against the inversion itself.
//
// Transport: PURE POINT-TO-POINT, like everything else in this stack.
// Ranks exchange in a round-robin TOURNAMENT (the circle method, on an odd
// modulus M so it covers every pair exactly once for any P, with byes):
// at round r, ranks x and y are partners iff x+y == r (mod M). Each
// meeting handles both directed edges of the pair in ONE SendToRecvFrom,
// padded to the larger of the two edge sizes -- SendToRecvFrom carries a
// single byte count for both directions, and both endpoints compute the
// same max from the shared descriptors, so there is no asymmetric-size
// case and no zero-count shape. Pairs with nothing to exchange skip the
// round, decided identically at both ends.
//
// Element enumeration within an edge is canonical -- ascending global
// column outer, ascending global row inner -- and each endpoint builds its
// OWN local offset tables from the shared descriptors, so no index data is
// ever transmitted. The round trip is BITWISE exact (pure data movement,
// no arithmetic): Test_schur2d_redist proves it.
///////////////////////////////////////////////////////////////////////////////
class BlockCyclicRedistribute
{
public:
/////////////////////////////////////////////////////////////////////////
// The directed edge (1D rank r1, 2D rank r2): global rows of r1's range
// whose row-block coordinate is r2's prow; ALL global columns whose
// column-block coordinate is r2's pcol. Every rank can enumerate any
// edge from (rowStart, layout) alone.
/////////////////////////////////////////////////////////////////////////
static void EdgeRows(const std::vector<int64_t> &rowStart, int r1,
const BlockCyclicLayout &L, int r2,
std::vector<int64_t> &rows)
{
rows.clear();
int p = r2 / L.Pc; // row-major rank convention
for(int64_t i=rowStart[r1]; i<rowStart[r1+1]; i++)
if ( (int)((i/L.nb) % L.Pr) == p ) rows.push_back(i);
}
static void EdgeCols(const BlockCyclicLayout &L, int r2,
std::vector<int64_t> &cols)
{
cols.clear();
int q = r2 % L.Pc;
for(int64_t b=0; b*L.nb<L.N; b++){
if ( (int)(b % L.Pc) != q ) continue;
int64_t g0=b*L.nb, g1=std::min(L.N,(b+1)*L.nb);
for(int64_t j=g0;j<g1;j++) cols.push_back(j);
}
}
/////////////////////////////////////////////////////////////////////////
// Gather/scatter one edge between a matrix (device, column major, ld)
// and a dense edge buffer, through device offset tables.
// buffer(a,b) = elem(rows[a], cols[b]), a fastest.
/////////////////////////////////////////////////////////////////////////
static void MoveEdge(int toBuffer,
DenseInverseScalar *mat, int64_t ld,
const std::vector<int64_t> &roff, // per-row offset in mat
const std::vector<int64_t> &coff, // per-col offset in mat
DenseInverseScalar *buf)
{
int64_t nr = roff.size();
int64_t nc = coff.size();
if ( !(nr && nc) ) return;
deviceVector<int64_t> dro(nr), dco(nc);
acceleratorCopyToDevice((void *)&roff[0], (void *)&dro[0], nr*sizeof(int64_t));
acceleratorCopyToDevice((void *)&coff[0], (void *)&dco[0], nc*sizeof(int64_t));
int64_t *ro = &dro[0];
int64_t *co = &dco[0];
if ( toBuffer ) {
accelerator_for(idx, (uint64_t)(nr*nc), 1, {
int64_t b = idx / nr;
int64_t a = idx - b*nr;
buf[a + b*nr] = mat[ ro[a] + co[b]*ld ];
});
} else {
accelerator_for(idx, (uint64_t)(nr*nc), 1, {
int64_t b = idx / nr;
int64_t a = idx - b*nr;
mat[ ro[a] + co[b]*ld ] = buf[a + b*nr];
});
}
}
/////////////////////////////////////////////////////////////////////////
// My offset tables for an edge, on whichever side I am.
/////////////////////////////////////////////////////////////////////////
static void Offsets1D(const std::vector<int64_t> &rows,
const std::vector<int64_t> &cols,
int64_t row0,
std::vector<int64_t> &roff, std::vector<int64_t> &coff)
{
roff.resize(rows.size()); coff.resize(cols.size());
for(uint64_t a=0;a<rows.size();a++) roff[a] = rows[a]-row0; // local row
for(uint64_t b=0;b<cols.size();b++) coff[b] = cols[b]; // global col
}
static void Offsets2D(const BlockCyclicLayout &L,
const std::vector<int64_t> &rows,
const std::vector<int64_t> &cols,
std::vector<int64_t> &roff, std::vector<int64_t> &coff)
{
roff.resize(rows.size()); coff.resize(cols.size());
for(uint64_t a=0;a<rows.size();a++){
int p; int64_t l;
BlockCyclicLayout::GlobalToLocal(rows[a], L.nb, L.Pr, p, l);
GRID_ASSERT( p == L.prow );
roff[a] = l;
}
for(uint64_t b=0;b<cols.size();b++){
int q; int64_t l;
BlockCyclicLayout::GlobalToLocal(cols[b], L.nb, L.Pc, q, l);
GRID_ASSERT( q == L.pcol );
coff[b] = l;
}
}
/////////////////////////////////////////////////////////////////////////
// The worker. dir=+1 : 1D rows -> block cyclic ; dir=-1 : back.
/////////////////////////////////////////////////////////////////////////
static void Redistribute(int dir, GridBase *grid,
const std::vector<int64_t> &rowStart,
DenseInverseScalar *rows1d, int64_t myrows,
BlockCyclicMatrix &A)
{
BlockCyclicLayout &L = A.layout;
int P = grid->ProcessorCount();
int me = grid->ThisRank();
GRID_ASSERT( (int)rowStart.size() == P+1 );
GRID_ASSERT( rowStart[P] == L.N );
GRID_ASSERT( rowStart[me+1]-rowStart[me] == myrows );
int64_t row0 = rowStart[me];
int64_t ld1 = myrows ? myrows : 1;
std::vector<int64_t> rows, cols, roff, coff;
deviceVector<DenseInverseScalar> sbuf(1), rbuf(1);
///////////////////////////////////////////////////////////////////////
// Self edge: purely local, via a bounce buffer (shares all the code).
///////////////////////////////////////////////////////////////////////
EdgeRows(rowStart, me, L, me, rows);
EdgeCols(L, me, cols);
if ( rows.size() && cols.size() ){
uint64_t ne = rows.size()*cols.size();
if ( sbuf.size() < ne ) sbuf.resize(ne);
std::vector<int64_t> roff2, coff2;
Offsets1D(rows, cols, row0, roff, coff);
Offsets2D(L, rows, cols, roff2, coff2);
if ( dir > 0 ) {
MoveEdge(1, rows1d, ld1, roff, coff, &sbuf[0]);
MoveEdge(0, &A.data[0], L.mloc, roff2, coff2, &sbuf[0]);
} else {
MoveEdge(1, &A.data[0], L.mloc, roff2, coff2, &sbuf[0]);
MoveEdge(0, rows1d, ld1, roff, coff, &sbuf[0]);
}
}
///////////////////////////////////////////////////////////////////////
// Tournament over all pairs: odd modulus M, partner = (r - me) mod M.
// Every unordered pair meets exactly once; partner==me or >=P is a bye.
///////////////////////////////////////////////////////////////////////
int M = (P%2) ? P : P+1;
for(int r=0;r<M;r++){
int partner = (int)(((int64_t)r - me + 2L*M) % M);
if ( partner == me || partner >= P ) continue;
// outbound edge: my (dir>0 ? 1D rows : 2D data) -> partner
// inbound edge: partner -> my (dir>0 ? 2D data : 1D rows)
std::vector<int64_t> orow, ocol, irow, icol;
if ( dir > 0 ) { EdgeRows(rowStart, me, L, partner, orow); EdgeCols(L, partner, ocol);
EdgeRows(rowStart, partner, L, me, irow); EdgeCols(L, me, icol); }
else { EdgeRows(rowStart, partner, L, me, orow); EdgeCols(L, me, ocol);
EdgeRows(rowStart, me, L, partner, irow); EdgeCols(L, partner, icol); }
uint64_t nout = orow.size()*ocol.size();
uint64_t nin = irow.size()*icol.size();
if ( !(nout || nin) ) continue; // both ends compute this identically
uint64_t nmax = std::max(nout,nin); // symmetric padded transfer
if ( sbuf.size() < nmax ) sbuf.resize(nmax);
if ( rbuf.size() < nmax ) rbuf.resize(nmax);
if ( nout ){
if ( dir > 0 ) { Offsets1D(orow, ocol, row0, roff, coff);
MoveEdge(1, rows1d, ld1, roff, coff, &sbuf[0]); }
else { Offsets2D(L, orow, ocol, roff, coff);
MoveEdge(1, &A.data[0], L.mloc, roff, coff, &sbuf[0]); }
}
grid->SendToRecvFrom((void *)&sbuf[0], partner,
(void *)&rbuf[0], partner,
nmax*sizeof(DenseInverseScalar));
if ( nin ){
if ( dir > 0 ) { Offsets2D(L, irow, icol, roff, coff);
MoveEdge(0, &A.data[0], L.mloc, roff, coff, &rbuf[0]); }
else { Offsets1D(irow, icol, row0, roff, coff);
MoveEdge(0, rows1d, ld1, roff, coff, &rbuf[0]); }
}
}
}
static void RowsToCyclic(GridBase *grid, const std::vector<int64_t> &rowStart,
DenseInverseScalar *rows1d, int64_t myrows, BlockCyclicMatrix &A)
{
Redistribute(+1, grid, rowStart, rows1d, myrows, A);
}
static void CyclicToRows(GridBase *grid, const std::vector<int64_t> &rowStart,
BlockCyclicMatrix &A, DenseInverseScalar *rows1d, int64_t myrows)
{
Redistribute(-1, grid, rowStart, rows1d, myrows, A);
}
};
NAMESPACE_END(Grid);
@@ -1,450 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./Grid/algorithms/multigrid/BlockCyclicSchurInverse.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/blas/BatchedInverse.h>
#include <Grid/algorithms/multigrid/BlockCyclicSumma.h>
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////
// Stage 3 of the 2D distributed dense inverse: the recursive Schur
// complement on a block-cyclic matrix, in place.
//
// The recursion splits the GLOBAL INDEX RANGE at the block boundary
// nearest the midpoint -- not the rank range as the retired 1D
// RecursiveSchurInverse did -- so every rank owns part of every sub-block
// at every depth, and the ownership gating (inI/inJ, dummy operands,
// zero-width rank ranges) a 1D scheme needs has no analogue here.
//
// I = [c0,m) J = [m,c1) (block-aligned, m the mid block boundary)
// 1. recurse I : A11 -> A11inv (in place)
// 2. Bt = A11inv . A12 (scratch, I x J)
// 3. Ct = A21 . A11inv (scratch, J x I)
// 4. A22 -= A21 . Bt == S (in place)
// 5. recurse J : S -> Sinv (in place)
// 6. Tt = Sinv . Ct (scratch, J x I)
// 7. Ut = Bt . Sinv (scratch, I x J)
// 8. A11 += Ut . Ct == X11 (in place)
// 9. A12 = -Ut , A21 = -Tt (window copies)
//
// SCRATCH SHARING. Four full-size block-cyclic scratch matrices (Bt, Ct,
// Tt, Ut) serve the ENTIRE tree, used through windows. This is safe at
// every depth because of a window-disjointness invariant:
//
// * every temporary of a node has its row range in one half of the
// node's window and its column range in the other (I x J or J x I);
// * everything any DESCENDANT touches -- its A windows and its own
// temporaries -- has BOTH ranges inside a single half (I x I during
// step 1, J x J during step 5).
//
// Hence a descendant window and a live ancestor temporary always differ in
// at least one dimension by disjoint ranges. Only Bt and Ct are live
// across the step-5 recursion (Tt, Ut are written after it), and both are
// covered by the invariant.
//
// LEAF. A leaf is a single diagonal block, and block (b,b) of a
// block-cyclic layout lives ENTIRELY on rank (b%Pr, b%Pc). The leaf
// inversion is therefore purely local -- pack the strided block dense,
// GridBLASInverse, unpack -- with NO communication and no assembly.
// Successive leaves cycle over ranks, so leaf work is naturally spread.
//
// COMMUNICATION. Every transfer in the whole inversion is a
// SendToRecvFrom inside BlockCyclicSumma's rings: pure point-to-point, no
// collectives on the critical path, deterministic summation order (so
// repeated inversions are bitwise identical). ReportTelemetry() is the
// one optional exception: it performs reductions, and is only ever called
// explicitly by a caller who wants the numbers.
//
// NUMERICS. No pivoting: every A11 and every Schur complement met on the
// way down must be non-singular. The growth telemetry stands in for
// pivoting.
///////////////////////////////////////////////////////////////////////////////
class BlockCyclicSchurInverse
{
public:
BlockCyclicSumma SUMMA;
GridBLASInverse INV;
// Telemetry: accumulated LOCALLY, no comms unless ReportTelemetry().
double telLeafMaxInv;
uint64_t nLeaf;
// BIG LEAVES. Below span s blocks a sub-block lives on <= s of the Pr
// process rows / s of the Pc columns; when s is small relative to the grid
// the SUMMA rings run on a few ranks while the rest block in their next
// SendToRecvFrom. Instead: gather the (s*nb)^2 sub-block to one rank,
// invert locally (inverseLU), scatter back. Fires only while
// span < min(Pr,Pc) -- when the whole grid participates the rings are not
// degenerate and gathering would only concentrate memory (and at the top
// of the tree would gather the whole matrix). Larger s concentrates more
// memory on the root; smaller s loses ring parallelism.
int leafSpan = 9;
uint64_t nBigLeaf = 0; int64_t maxBigW = 0;
double tBigGather = 0, tBigInv = 0, tBigScatter = 0;
uint64_t nNode;
double tLeaf;
double tGemm; // wall in Multiply calls (comms+gemm)
double tCopy;
BlockCyclicSchurInverse()
{
telLeafMaxInv = 0.0;
nLeaf = nNode = 0;
tLeaf = tGemm = tCopy = 0.0;
}
///////////////////////////////////////////////////////////////////////////
// Window copy-scale: Dst[i0:i1, j0:j1] = alpha * Src[same window].
// Both share one layout, so the local bands coincide; pure local kernel.
///////////////////////////////////////////////////////////////////////////
void WindowCopyScale(DenseInverseScalar alpha,
BlockCyclicMatrix &Src, BlockCyclicMatrix &Dst,
int64_t i0, int64_t i1, int64_t j0, int64_t j1)
{
BlockCyclicLayout &L = Dst.layout;
GRID_ASSERT( Src.layout.N==L.N && Src.layout.nb==L.nb );
GRID_ASSERT( Src.layout.Pr==L.Pr && Src.layout.Pc==L.Pc );
int64_t li0,li1, lj0,lj1;
L.RowRange(i0,i1, li0,li1);
L.ColRange(j0,j1, lj0,lj1);
int64_t m = li1-li0, n = lj1-lj0;
if ( !(m && n) ) return;
DenseInverseScalar *src = Src.LocalWindow(li0,lj0);
DenseInverseScalar *dst = Dst.LocalWindow(li0,lj0);
int64_t ldS = Src.layout.mloc;
int64_t ldD = L.mloc;
tCopy -= usecond();
accelerator_for(idx, (uint64_t)(m*n), 1, {
int64_t jj = idx / m;
int64_t ii = idx - jj*m;
dst[ii + jj*ldD] = alpha*src[ii + jj*ldS];
});
tCopy += usecond();
}
///////////////////////////////////////////////////////////////////////////
// Leaf: single diagonal block (b,b), entirely on rank (b%Pr, b%Pc).
// Local pack -> dense inverse -> unpack; every other rank does nothing
// and needs no synchronisation: the next SUMMA's rings pair them up.
///////////////////////////////////////////////////////////////////////////
void Leaf(BlockCyclicMatrix &A, int64_t b)
{
GRID_TRACE("SchurLeaf");
BlockCyclicLayout &L = A.layout;
nLeaf++;
if ( (int)(b % L.Pr) != L.prow ) return;
if ( (int)(b % L.Pc) != L.pcol ) return;
tLeaf -= usecond();
int64_t g0 = b*L.nb;
int64_t g1 = std::min(L.N, g0+L.nb);
int64_t w = g1-g0;
int64_t lr0,lr1, lc0,lc1;
L.RowRange(g0,g1, lr0,lr1);
L.ColRange(g0,g1, lc0,lc1);
GRID_ASSERT( lr1-lr0 == w );
GRID_ASSERT( lc1-lc0 == w );
// Pack the strided block dense (inverseBatched assumes lda == w).
deviceVector<DenseInverseScalar> dense((uint64_t)w*w);
{
DenseInverseScalar *src = A.LocalWindow(lr0,lc0);
DenseInverseScalar *dst = &dense[0];
int64_t ld = L.mloc;
accelerator_for(idx, (uint64_t)(w*w), 1, {
int64_t jj = idx / w;
int64_t ii = idx - jj*w;
dst[ii + jj*w] = src[ii + jj*ld];
});
}
{
deviceVector<DenseInverseScalar*> bp(1);
std::vector<DenseInverseScalar*> ptr(1);
ptr[0] = &dense[0];
acceleratorCopyToDevice(&ptr[0], &bp[0], sizeof(DenseInverseScalar*));
INV.inverseBatched(w, bp);
}
{
DenseInverseScalar *src = &dense[0];
DenseInverseScalar *dst = A.LocalWindow(lr0,lc0);
int64_t ld = L.mloc;
accelerator_for(idx, (uint64_t)(w*w), 1, {
int64_t jj = idx / w;
int64_t ii = idx - jj*w;
dst[ii + jj*ld] = src[ii + jj*w];
});
}
// Growth telemetry, local only.
{
std::vector<DenseInverseScalar> h((uint64_t)w*w);
acceleratorCopyFromDevice(&dense[0], &h[0], h.size()*sizeof(DenseInverseScalar));
double mx = 0.0;
for(auto &z : h){
double re=z.real(), im=z.imag();
mx = std::max(mx, re*re+im*im);
}
telLeafMaxInv = std::max(telLeafMaxInv, std::sqrt(mx));
}
tLeaf += usecond();
}
///////////////////////////////////////////////////////////////////////////
// BIG LEAF on block range [b0,b1): gather to root = owner of block (b0,b0),
// invert there, scatter back. Rank q's piece of the sub-block is the
// contiguous local window RowRange(c0,c1) x ColRange(c0,c1); its local row
// ii maps to global row (brq0 + (ii/nb)*Pr)*nb + ii%nb where brq0 is q's
// first block row >= b0 (closed form: no tables). Transport is pairwise
// SendToRecvFrom with root (symmetric byte count: the reverse direction
// carries a same-size dummy -- a leaf-local cost, accepted for simplicity).
///////////////////////////////////////////////////////////////////////////
static int64_t FirstBlock(int64_t b0, int p, int Pg)
{
int64_t r = ((b0 % Pg) <= p) ? b0 - (b0 % Pg) + p : b0 - (b0 % Pg) + Pg + p;
return r;
}
void BigLeaf(BlockCyclicMatrix &A, int64_t b0, int64_t b1)
{
GRID_TRACE("SchurBigLeaf");
BlockCyclicLayout &L = A.layout;
GridBase *grid = A.grid;
const int Pr=L.Pr, Pc=L.Pc, nb=(int)L.nb;
GRID_ASSERT( L.me == L.prow*Pc + L.pcol ); // rank convention shared with the SUMMA rings
const int64_t c0 = b0*L.nb, c1 = std::min(L.N, b1*L.nb), W = c1-c0;
const int root = (int)((b0%Pr)*Pc + (b0%Pc));
const int me = L.me;
nBigLeaf++; maxBigW = std::max(maxBigW, W);
// my piece
int64_t lr0,lr1,lc0,lc1; L.RowRange(c0,c1,lr0,lr1); L.ColRange(c0,c1,lc0,lc1);
const int64_t mq = lr1-lr0, nq = lc1-lc0;
deviceVector<DenseInverseScalar> dense; // root only: W x W column major
deviceVector<DenseInverseScalar> piece, dummy; // piece: my mq x nq contiguous; dummy: reverse-direction filler
if ( me == root ) dense.resize((uint64_t)W*W);
auto pack_piece = [&](DenseInverseScalar *dst, int64_t m, int64_t n, int64_t r0, int64_t cc0){
DenseInverseScalar *src = A.LocalWindow(r0,cc0); const int64_t ld = L.mloc;
accelerator_for(idx,(uint64_t)(m*n),1,{ int64_t jj=idx/m, ii=idx-jj*m; dst[ii+jj*m] = src[ii+jj*ld]; });
};
auto unpack_piece = [&](DenseInverseScalar *src, int64_t m, int64_t n, int64_t r0, int64_t cc0){
DenseInverseScalar *dst = A.LocalWindow(r0,cc0); const int64_t ld = L.mloc;
accelerator_for(idx,(uint64_t)(m*n),1,{ int64_t jj=idx/m, ii=idx-jj*m; dst[ii+jj*ld] = src[ii+jj*m]; });
};
// root: piece of rank q <-> dense, via the closed-form block map
auto root_place = [&](DenseInverseScalar *pc, int64_t m, int64_t n, int q, int to_dense){
const int pq=q/Pc, cq=q%Pc;
const int64_t brq0=FirstBlock(b0,pq,Pr), bcq0=FirstBlock(b0,cq,Pc);
DenseInverseScalar *dn = &dense[0]; const int64_t WW=W, NB=nb, PR=Pr, PC=Pc, C0=c0;
accelerator_for(idx,(uint64_t)(m*n),1,{
int64_t jj=idx/m, ii=idx-jj*m;
int64_t gr = (brq0 + (ii/NB)*PR)*NB + ii%NB - C0;
int64_t gc = (bcq0 + (jj/NB)*PC)*NB + jj%NB - C0;
if ( to_dense ) dn[gr + gc*WW] = pc[ii+jj*m]; else pc[ii+jj*m] = dn[gr + gc*WW];
});
};
auto piece_dims = [&](int q, int64_t &m, int64_t &n){
const int pq=q/Pc, cq=q%Pc;
m = BlockCyclicLayout::NumLocal(c1,L.nb,pq,Pr) - BlockCyclicLayout::NumLocal(c0,L.nb,pq,Pr);
n = BlockCyclicLayout::NumLocal(c1,L.nb,cq,Pc) - BlockCyclicLayout::NumLocal(c0,L.nb,cq,Pc);
};
// ---- gather ----
tBigGather -= usecond();
if ( mq*nq ) { piece.resize((uint64_t)mq*nq); dummy.resize((uint64_t)mq*nq); pack_piece(&piece[0],mq,nq,lr0,lc0); accelerator_barrier(); }
if ( me == root ) {
deviceVector<DenseInverseScalar> stage;
for(int q=0;q<Pr*Pc;q++){
int64_t m,n; piece_dims(q,m,n); if ( !(m*n) ) continue;
if ( q == root ) { root_place(&piece[0],m,n,q,1); continue; }
if ( stage.size() < (uint64_t)(m*n) ) stage.resize((uint64_t)m*n);
deviceVector<DenseInverseScalar> junk((uint64_t)m*n);
grid->SendToRecvFrom((void *)&junk[0], q, (void *)&stage[0], q, (uint64_t)m*n*sizeof(DenseInverseScalar));
root_place(&stage[0],m,n,q,1);
}
accelerator_barrier();
} else if ( mq*nq ) {
grid->SendToRecvFrom((void *)&piece[0], root, (void *)&dummy[0], root, (uint64_t)mq*nq*sizeof(DenseInverseScalar));
}
tBigGather += usecond();
// ---- invert on root: blocked getrf_64 + identity getrs_64 ----
tBigInv -= usecond();
if ( me == root ) INV.inverseLU(W, &dense[0]);
tBigInv += usecond();
// ---- scatter ----
tBigScatter -= usecond();
if ( me == root ) {
deviceVector<DenseInverseScalar> stage;
for(int q=0;q<Pr*Pc;q++){
int64_t m,n; piece_dims(q,m,n); if ( !(m*n) ) continue;
if ( q == root ) { root_place(&piece[0],m,n,q,0); accelerator_barrier(); continue; }
if ( stage.size() < (uint64_t)(m*n) ) stage.resize((uint64_t)m*n);
deviceVector<DenseInverseScalar> junk((uint64_t)m*n);
root_place(&stage[0],m,n,q,0); accelerator_barrier();
grid->SendToRecvFrom((void *)&stage[0], q, (void *)&junk[0], q, (uint64_t)m*n*sizeof(DenseInverseScalar));
}
} else if ( mq*nq ) {
grid->SendToRecvFrom((void *)&dummy[0], root, (void *)&piece[0], root, (uint64_t)mq*nq*sizeof(DenseInverseScalar));
}
if ( mq*nq ) { unpack_piece(&piece[0],mq,nq,lr0,lc0); accelerator_barrier(); }
tBigScatter += usecond();
}
///////////////////////////////////////////////////////////////////////////
// The recursion, on global BLOCK range [b0,b1). SPMD: every rank calls
// with identical arguments; there is no ownership gating to get wrong.
///////////////////////////////////////////////////////////////////////////
void SchurNode(BlockCyclicMatrix &A,
BlockCyclicMatrix &Bt, BlockCyclicMatrix &Ct,
BlockCyclicMatrix &Tt, BlockCyclicMatrix &Ut,
int64_t b0, int64_t b1)
{
BlockCyclicLayout &L = A.layout;
int64_t span = b1-b0;
GRID_ASSERT( span >= 1 );
if ( span == 1 ) { Leaf(A, b0); return; }
if ( span <= leafSpan && span < std::min(L.Pr,L.Pc) ) { BigLeaf(A, b0, b1); return; }
GRID_TRACE("SchurNode");
nNode++;
int64_t bm = b0 + span/2;
int64_t c0 = b0*L.nb;
int64_t m = bm*L.nb;
int64_t c1 = std::min(L.N, b1*L.nb);
DenseInverseScalar one (1.0,0.0), mone(-1.0,0.0), zero(0.0,0.0);
// 1. A11 -> A11inv
SchurNode(A,Bt,Ct,Tt,Ut, b0,bm);
tGemm -= usecond();
// 2. Bt[I,J] = A11inv . A12
SUMMA.Multiply(one, A, A, zero, Bt, c0,m, m,c1, c0,m );
// 3. Ct[J,I] = A21 . A11inv
SUMMA.Multiply(one, A, A, zero, Ct, m,c1, c0,m, c0,m );
// 4. A22 -= A21 . Bt (the Schur complement, in place)
SUMMA.Multiply(mone, A, Bt, one, A, m,c1, m,c1, c0,m );
tGemm += usecond();
// 5. S -> Sinv (Bt, Ct live across this call: see invariant)
SchurNode(A,Bt,Ct,Tt,Ut, bm,b1);
tGemm -= usecond();
// 6. Tt[J,I] = Sinv . Ct
SUMMA.Multiply(one, A, Ct, zero, Tt, m,c1, c0,m, m,c1 );
// 7. Ut[I,J] = Bt . Sinv
SUMMA.Multiply(one, Bt, A, zero, Ut, c0,m, m,c1, m,c1 );
// 8. A11 += Ut . Ct
SUMMA.Multiply(one, Ut, Ct, one, A, c0,m, c0,m, m,c1 );
tGemm += usecond();
// 9. Off-diagonal signs
{ GRID_TRACE("SchurCopy");
WindowCopyScale(mone, Ut, A, c0,m, m,c1);
WindowCopyScale(mone, Tt, A, m,c1, c0,m);
}
}
///////////////////////////////////////////////////////////////////////////
// PUBLIC ENTRY. In-place inverse of the whole matrix. Scratch (4x the
// matrix footprint) is allocated here and released on return.
///////////////////////////////////////////////////////////////////////////
void Invert(BlockCyclicMatrix &A)
{
BlockCyclicLayout &L = A.layout;
GRID_ASSERT( L.N >= 1 );
int64_t nblocks = (L.N + L.nb - 1)/L.nb;
BlockCyclicMatrix Bt(A.grid, L.N, L.nb, L.Pr, L.Pc);
BlockCyclicMatrix Ct(A.grid, L.N, L.nb, L.Pr, L.Pc);
BlockCyclicMatrix Tt(A.grid, L.N, L.nb, L.Pr, L.Pc);
BlockCyclicMatrix Ut(A.grid, L.N, L.nb, L.Pr, L.Pc);
telLeafMaxInv = 0.0;
nLeaf = nNode = 0;
tLeaf = tGemm = tCopy = 0.0;
SchurNode(A, Bt,Ct,Tt,Ut, 0, nblocks);
}
///////////////////////////////////////////////////////////////////////////
// Optional, and the ONLY place any reduction happens: call it if you
// want the numbers, never from Invert.
///////////////////////////////////////////////////////////////////////////
void ReportTelemetry(GridBase *grid)
{
RealD mx = telLeafMaxInv;
grid->GlobalMax(mx);
std::cout << GridLogMessage << "BlockCyclicSchurInverse:"
<< " nodes " << nNode << " leaves " << nLeaf
<< " max|leafinv| " << mx
<< " (boss secs: gemm+comms " << tGemm/1.0e6
<< " leaf " << tLeaf/1.0e6
<< " copy " << tCopy/1.0e6 << ")"
<< std::endl;
if ( nBigLeaf ) {
RealD ti = tBigInv/1.0e6; grid->GlobalMax(ti); // inverse runs on the root of each leaf: report the max over ranks
std::cout << GridLogMessage << "BlockCyclicSchurInverse: BIG LEAVES (span " << leafSpan
<< ", inverseLU): " << nBigLeaf
<< " leaves, max W " << maxBigW
<< " boss secs: gather " << tBigGather/1.0e6 << " scatter " << tBigScatter/1.0e6
<< " inverse (max over ranks) " << ti << std::endl;
}
// SUMMA breakdown: boss-rank seconds, plus the ring/gemm time spread over
// ranks (min/max) -- skew shows as max >> min.
RealD ring = (SUMMA.tRingA+SUMMA.tRingB)/1.0e6;
RealD rmin = -ring, rmax = ring; grid->GlobalMax(rmin); grid->GlobalMax(rmax); rmin = -rmin; // no GlobalMin: max of negation
RealD gmin = -SUMMA.tGemm/1.0e6, gmax = SUMMA.tGemm/1.0e6; grid->GlobalMax(gmin); grid->GlobalMax(gmax); gmin = -gmin;
double gb = SUMMA.bytesRing/1.0e9;
std::cout << GridLogMessage << "BlockCyclicSumma:"
<< " multiplies " << SUMMA.nMultiply << " gemms " << SUMMA.nGemm << " ring msgs " << SUMMA.nRingMsg
<< " | boss secs: alloc " << SUMMA.tAlloc/1.0e6
<< " pack " << SUMMA.tPack/1.0e6
<< " ringA " << SUMMA.tRingA/1.0e6 << " ringB " << SUMMA.tRingB/1.0e6
<< " gemm " << SUMMA.tGemm/1.0e6
<< " | ring min/max over ranks " << rmin << "/" << rmax
<< " gemm min/max " << gmin << "/" << gmax
<< " | ring bytes/rank " << gb << " GB -> " << (ring>0 ? gb/ring : 0.0) << " GB/s/rank (boss)"
<< std::endl;
// Ring time decomposed by message size (boss rank; every rank sends the
// same sequence of sizes). Time is wall time inside SendToRecvFrom, so it
// includes waiting for the partner -- a bucket whose GB/s is far below the
// probe's for the same size is wait, not wire.
std::cout << GridLogMessage << "BlockCyclicSumma ring histogram (boss): size-bucket msgs GB xfer-secs GB/s %time" << std::endl;
std::streamsize oldprec = std::cout.precision();
for(int b=0;b<SUMMA.NHIST;b++){
if ( !SUMMA.histN[b] ) continue;
double sec = SUMMA.histUs[b]/1.0e6, g = SUMMA.histBytes[b]/1.0e9;
double lo = (double)(1ull<<b);
char sz[32]; if (lo>=1048576) snprintf(sz,32,"%6.1f MB",lo/1048576.); else if (lo>=1024) snprintf(sz,32,"%6.1f KB",lo/1024.); else snprintf(sz,32,"%6.0f B ",lo);
std::cout << GridLogMessage << " >=" << sz
<< std::setw(8) << SUMMA.histN[b]
<< std::setw(10) << std::setprecision(3) << g
<< std::setw(9) << std::setprecision(3) << sec
<< std::setw(9) << std::setprecision(3) << (sec>0 ? g/sec : 0.0)
<< std::setw(8) << std::setprecision(3) << (ring>0 ? 100.0*sec/ring : 0.0);
std::cout << std::endl;
}
std::cout.precision(oldprec);
}
};
NAMESPACE_END(Grid);
@@ -1,349 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./Grid/algorithms/multigrid/BlockCyclicSumma.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/multigrid/BlockCyclic.h>
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////
// Stage 2 of the 2D distributed dense inverse: the windowed SUMMA product
//
// C[i0:i1, j0:j1] <- beta C[i0:i1, j0:j1]
// + alpha A[i0:i1, k0:k1] . B[k0:k1, j0:j1]
//
// on block-cyclic matrices sharing one BlockCyclicLayout. All ranges are
// BLOCK ALIGNED (multiples of nb, or N itself at the top end): stage 3's
// recursion splits on block boundaries, so nothing else is ever needed, and
// alignment makes every local window a contiguous band of local storage
// (BlockCyclic.h RangeToLocal, Test_blockcyclic T7).
//
// Transport is PURE POINT-TO-POINT: SendToRecvFrom on explicit world ranks
// computed from the row-major rank convention. No collectives of any kind
// -- no sub-communicators, no broadcast, no allgather -- by design: the
// collective pathologies measured on this machine (MPI_Allgatherv at
// ~0.18 MB/s with skewed counts, mpir_request.h:508 aborts, allreduce at
// 39% of the P2P rate) motivated this implementation. SendToRecvFrom is
// the most exercised device-buffer path in Grid and the only one never
// implicated.
//
// Algorithm: round-based ring allgather SUMMA. The k range is processed in
// rounds of Pc consecutive global blocks. Within a round
//
// * process column c owns at most one A panel (blocks s with s%Pc == c);
// the Pc panels circulate around each process-ROW ring in Pc-1 steps;
// * process row r owns up to ceil(Pc/Pr) B panels (blocks s%Pr == r);
// they circulate around each process-COLUMN ring in Pr-1 steps;
// * every rank then accumulates Cloc += alpha * Apanel_s . Bpanel_s
// for each block s of the round, in ascending s: a fixed summation
// order, so REPEATED RUNS ARE BITWISE IDENTICAL (no reduction, no
// order ambiguity -- the property the P2P doctrine buys).
//
// Ring chunks are PADDED to a fixed size (full nb panels, fixed
// panels-per-origin): SendToRecvFrom carries one byte count for both
// directions, so symmetric transfers eliminate every variable-size edge
// case at a worst-case ~1/Pc extra volume on ragged rounds. Padding is
// never read: GEMMs address only the leading nb_s x width of each slot.
//
// Per-rank received volume: (k-extent) * (mloc_i + nloc_j) elements --
// the N^2 (1/Pr + 1/Pc) SUMMA optimum, ~sqrt(P)/2 below the 1D scheme.
///////////////////////////////////////////////////////////////////////////////
class BlockCyclicMatrix
{
public:
GridBase *grid; // borrowed, never owned
BlockCyclicLayout layout;
deviceVector<DenseInverseScalar> data; // column major, ld = layout.mloc
BlockCyclicMatrix(GridBase *g, int64_t N, int64_t nb, int Pr, int Pc)
: grid(g),
layout(N, nb, Pr, Pc, g->ThisRank())
{
GRID_ASSERT( Pr*Pc == g->ProcessorCount() );
uint64_t sz = (uint64_t)layout.mloc*layout.nloc;
data.resize( sz ? sz : 1 );
}
DenseInverseScalar *LocalWindow(int64_t li, int64_t lj)
{
return &data[0] + li + lj*layout.mloc;
}
/////////////////////////////////////////////////////////////////////////
// TEST-SCALE import/export of a replicated global matrix (host, O(N^2)
// loops, one collective in Export). For unit tests and the stage-3
// oracle only; production data enters through the direct block-cyclic
// import, never through these.
/////////////////////////////////////////////////////////////////////////
void ImportGlobal(const std::vector<DenseInverseScalar> &G)
{
int64_t N = layout.N;
GRID_ASSERT( (int64_t)G.size() == N*N );
std::vector<DenseInverseScalar> h((uint64_t)layout.mloc*layout.nloc, DenseInverseScalar(0.0,0.0));
for(int64_t j=0;j<N;j++){
for(int64_t i=0;i<N;i++){
if ( layout.Owns(i,j) ) h[layout.LocalOffset(i,j)] = G[i + j*N];
}
}
if ( h.size() )
acceleratorCopyToDevice(&h[0], &data[0], h.size()*sizeof(DenseInverseScalar));
}
void ExportGlobal(std::vector<DenseInverseScalar> &G)
{
int64_t N = layout.N;
G.assign((uint64_t)N*N, DenseInverseScalar(0.0,0.0));
std::vector<DenseInverseScalar> h((uint64_t)layout.mloc*layout.nloc);
if ( h.size() )
acceleratorCopyFromDevice(&data[0], &h[0], h.size()*sizeof(DenseInverseScalar));
for(int64_t j=0;j<N;j++){
for(int64_t i=0;i<N;i++){
if ( layout.Owns(i,j) ) G[i + j*N] = h[layout.LocalOffset(i,j)];
}
}
if ( N ) grid->GlobalSumVector((DenseInverseScalar *)&G[0], (int)(N*N)); // zero-fill: exact
}
};
class BlockCyclicSumma
{
public:
GridBLAS BLAS;
// Per-rank telemetry (boss-rank seconds when printed; no reductions here).
// Every Multiply is: buffer alloc, pack panels, ring A along the process
// row, ring B along the process column, then the local GEMMs. The rings
// are synchronous SendToRecvFrom, so tRing is time the GPU is idle unless
// a future version overlaps them with the GEMMs.
// PERSISTENT ring buffers: allocated once (grow-only) and reused by every
// Multiply, so the device addresses handed to MPI never change. Fresh
// per-call buffers rotated through the caching allocator's blocks, and a
// GPU-direct RDMA registration cache keyed on address then re-registers
// per message: measured 1.26 GB/s/rank on 13 MB ring messages (production,
// GRID_ALLOC_NCACHE_LARGE=64) against 62 s total for the same inverse when
// hipMalloc returned a stable address.
deviceVector<DenseInverseScalar> Abuf;
deviceVector<DenseInverseScalar> Bbuf;
double tAlloc=0, tPack=0, tRingA=0, tRingB=0, tGemm=0;
uint64_t bytesRing=0, nRingMsg=0, nMultiply=0, nGemm=0;
// Per-message-size histogram (bucket = floor(log2 bytes)): count, bytes,
// microseconds -- decomposes the ring time by packet size so a low average
// GB/s can be attributed (many small latency-bound messages vs slow large
// ones vs partner-wait). Time is wall time inside SendToRecvFrom, so a
// bucket far below the wire rate for its size is wait, not wire.
static const int NHIST=48;
uint64_t histN[NHIST]={0}, histBytes[NHIST]={0}; double histUs[NHIST]={0};
void HistAdd(uint64_t bytes, double us){ int b=0; while((bytes>>b)>1) b++; histN[b]++; histBytes[b]+=bytes; histUs[b]+=us; }
void ResetTelemetry(void){ tAlloc=tPack=tRingA=tRingB=tGemm=0; bytesRing=nRingMsg=nMultiply=nGemm=0; for(int b=0;b<NHIST;b++){histN[b]=histBytes[b]=0; histUs[b]=0;} }
static int Overlap(int64_t a0,int64_t a1,int64_t b0,int64_t b1)
{ return (a0 < b1) && (b0 < a1); }
void Multiply(DenseInverseScalar alpha,
BlockCyclicMatrix &A,
BlockCyclicMatrix &B,
DenseInverseScalar beta,
BlockCyclicMatrix &C,
int64_t i0, int64_t i1,
int64_t j0, int64_t j1,
int64_t k0, int64_t k1)
{
BlockCyclicLayout &L = C.layout;
GridBase *grid = C.grid;
const int64_t N = L.N;
const int64_t nb = L.nb;
const int Pr = L.Pr, Pc = L.Pc;
const int prow = L.prow, pcol = L.pcol;
///////////////////////////////////////////////////////////////////////
// Conformability: one layout, one communicator, aligned ranges.
///////////////////////////////////////////////////////////////////////
auto same = [&](BlockCyclicLayout &X){
GRID_ASSERT( X.N==N ); GRID_ASSERT( X.nb==nb );
GRID_ASSERT( X.Pr==Pr ); GRID_ASSERT( X.Pc==Pc );
GRID_ASSERT( X.me==L.me );
};
same(A.layout); same(B.layout);
GRID_ASSERT( A.grid==grid ); GRID_ASSERT( B.grid==grid );
auto aligned = [&](int64_t g0,int64_t g1){
GRID_ASSERT( 0<=g0 ); GRID_ASSERT( g0<=g1 ); GRID_ASSERT( g1<=N );
GRID_ASSERT( g0%nb==0 ); GRID_ASSERT( (g1%nb==0)||(g1==N) );
};
aligned(i0,i1); aligned(j0,j1); aligned(k0,k1);
GRID_ASSERT( k1 > k0 ); // pure scaling not supported here
// In-place windows are legal only if the written window is disjoint
// from anything read (stage 3 uses this; make violation loud).
if ( &C==&A ) GRID_ASSERT( !Overlap(j0,j1,k0,k1) );
if ( &C==&B ) GRID_ASSERT( !Overlap(i0,i1,k0,k1) );
///////////////////////////////////////////////////////////////////////
// My local bands of the three windows (contiguous: T7).
///////////////////////////////////////////////////////////////////////
int64_t li0,li1, lj0,lj1;
L.RowRange(i0,i1, li0,li1);
L.ColRange(j0,j1, lj0,lj1);
const int64_t mloc_i = li1-li0; // my rows of the i window
const int64_t nloc_j = lj1-lj0; // my cols of the j window
const int64_t kb0 = k0/nb;
const int64_t kb1 = (k1+nb-1)/nb; // block-aligned or ==N: exact
const int64_t S = (Pc + Pr - 1)/Pr; // max B panels per origin row
///////////////////////////////////////////////////////////////////////
// Round buffers, padded to fixed slot sizes (see header comment).
// A: Pc slots of mloc_i x nb (slot c = panel of the block owned by c)
// B: Pr slots of S x (nb x nloc_j)
///////////////////////////////////////////////////////////////////////
const uint64_t slotA = (uint64_t)mloc_i*nb;
const uint64_t slotB1 = (uint64_t)nb*nloc_j; // one panel
const uint64_t slotB = (uint64_t)S*slotB1;
nMultiply++;
tAlloc -= usecond();
if ( Abuf.size() < std::max<uint64_t>(slotA*Pc,1) ) Abuf.resize( std::max<uint64_t>(slotA*Pc,1) );
if ( Bbuf.size() < std::max<uint64_t>(slotB*Pr,1) ) Bbuf.resize( std::max<uint64_t>(slotB*Pr,1) );
tAlloc += usecond();
deviceVector<DenseInverseScalar *> ap(1), bp(1), cp(1);
std::vector<DenseInverseScalar *> ptr(1);
int firstblock = 1;
for(int64_t r0=kb0; r0<kb1; r0+=Pc){ // rounds of Pc k-blocks
int64_t r1 = std::min(kb1, r0+Pc);
/////////////////////////////////////////////////////////////////////
// Pack MY panels of this round into my origin slots.
/////////////////////////////////////////////////////////////////////
tPack -= usecond();
{ GRID_TRACE("SummaPack");
for(int64_t s=r0; s<r1; s++){
int64_t nb_s = L.BlockSize(s);
if ( (int)(s%Pc) == pcol && mloc_i ){ // my A panel: block-column s
int64_t lc0, lc1;
L.ColRange(s*nb, std::min(N,(s+1)*nb), lc0, lc1);
GRID_ASSERT( lc1-lc0 == nb_s );
DenseInverseScalar *src = A.LocalWindow(li0, lc0);
DenseInverseScalar *dst = &Abuf[0] + slotA*pcol;
int64_t ld = A.layout.mloc;
int64_t m = mloc_i;
accelerator_for(idx, (uint64_t)(m*nb_s), 1, {
int64_t jj = idx / m;
int64_t ii = idx - jj*m;
dst[ii + jj*m] = src[ii + jj*ld];
});
}
if ( (int)(s%Pr) == prow && nloc_j ){ // my B panel: block-row s
int64_t lr0, lr1;
L.RowRange(s*nb, std::min(N,(s+1)*nb), lr0, lr1);
GRID_ASSERT( lr1-lr0 == nb_s );
int64_t idxs = (s - r0 - ((prow - r0%Pr + Pr) % Pr)) / Pr; // my panel # in round
GRID_ASSERT( idxs >= 0 ); GRID_ASSERT( idxs < S );
DenseInverseScalar *src = B.LocalWindow(lr0, lj0);
DenseInverseScalar *dst = &Bbuf[0] + slotB*prow + slotB1*idxs;
int64_t ld = B.layout.mloc;
int64_t nn = nloc_j;
accelerator_for(idx, (uint64_t)(nb_s*nn), 1, {
int64_t jj = idx / nb_s;
int64_t ii = idx - jj*nb_s;
dst[ii + jj*nb_s] = src[ii + jj*ld];
});
}
}
accelerator_barrier();
}
tPack += usecond();
/////////////////////////////////////////////////////////////////////
// Ring allgather along my process ROW: Pc-1 symmetric steps. At
// step t send the slot of origin (pcol-t+1), receive origin (pcol-t).
/////////////////////////////////////////////////////////////////////
if ( Pc > 1 && slotA ){
GRID_TRACE("SummaRingA");
tRingA -= usecond();
int dest = prow*Pc + (pcol+1)%Pc;
int src = prow*Pc + (pcol-1+Pc)%Pc;
for(int t=1;t<Pc;t++){
int cs = (pcol - t + 1 + Pc*Pc) % Pc;
int cr = (pcol - t + Pc*Pc) % Pc;
double tm = usecond();
grid->SendToRecvFrom((void *)(&Abuf[0]+slotA*cs), dest,
(void *)(&Abuf[0]+slotA*cr), src,
slotA*sizeof(DenseInverseScalar));
HistAdd(slotA*sizeof(DenseInverseScalar), usecond()-tm);
bytesRing += slotA*sizeof(DenseInverseScalar); nRingMsg++;
}
tRingA += usecond();
}
/////////////////////////////////////////////////////////////////////
// Ring allgather along my process COLUMN: Pr-1 symmetric steps.
/////////////////////////////////////////////////////////////////////
if ( Pr > 1 && slotB ){
GRID_TRACE("SummaRingB");
tRingB -= usecond();
int dest = ((prow+1)%Pr)*Pc + pcol;
int src = ((prow-1+Pr)%Pr)*Pc + pcol;
for(int t=1;t<Pr;t++){
int rs = (prow - t + 1 + Pr*Pr) % Pr;
int rr = (prow - t + Pr*Pr) % Pr;
double tm = usecond();
grid->SendToRecvFrom((void *)(&Bbuf[0]+slotB*rs), dest,
(void *)(&Bbuf[0]+slotB*rr), src,
slotB*sizeof(DenseInverseScalar));
HistAdd(slotB*sizeof(DenseInverseScalar), usecond()-tm);
bytesRing += slotB*sizeof(DenseInverseScalar); nRingMsg++;
}
tRingB += usecond();
}
/////////////////////////////////////////////////////////////////////
// Local update, ascending s: fixed order, bitwise-reproducible.
/////////////////////////////////////////////////////////////////////
tGemm -= usecond();
{ GRID_TRACE("SummaGEMM");
for(int64_t s=r0; s<r1; s++){
int64_t nb_s = L.BlockSize(s);
if ( !(mloc_i && nloc_j && nb_s) ) { firstblock = 0; continue; }
int cA = (int)(s%Pc);
int rB = (int)(s%Pr);
int64_t idxs = (s - r0 - ((rB - r0%Pr + Pr) % Pr)) / Pr;
DenseInverseScalar beta_use = firstblock ? beta : DenseInverseScalar(1.0,0.0);
firstblock = 0;
ptr[0] = &Abuf[0] + slotA*cA;
acceleratorCopyToDevice(&ptr[0], &ap[0], sizeof(DenseInverseScalar *));
ptr[0] = &Bbuf[0] + slotB*rB + slotB1*idxs;
acceleratorCopyToDevice(&ptr[0], &bp[0], sizeof(DenseInverseScalar *));
ptr[0] = C.LocalWindow(li0, lj0);
acceleratorCopyToDevice(&ptr[0], &cp[0], sizeof(DenseInverseScalar *));
BLAS.gemmBatched(GridBLAS_OP_N, GridBLAS_OP_N,
(int)mloc_i, (int)nloc_j, (int)nb_s,
alpha, ap, (int)mloc_i,
bp, (int)nb_s,
beta_use, cp, (int)C.layout.mloc);
BLAS.synchronise();
nGemm++;
}
}
tGemm += usecond();
}
}
};
NAMESPACE_END(Grid);
-837
View File
@@ -1,837 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/CoarsenedMatrix.h
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
Author: paboyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#ifndef GRID_ALGORITHM_COARSENED_MATRIX_H
#define GRID_ALGORITHM_COARSENED_MATRIX_H
#include <Grid/qcd/QCD.h> // needed for Dagger(Yes|No), Inverse(Yes|No)
NAMESPACE_BEGIN(Grid);
template<class vobj,class CComplex>
inline void blockMaskedInnerProduct(Lattice<CComplex> &CoarseInner,
const Lattice<decltype(innerProduct(vobj(),vobj()))> &FineMask,
const Lattice<vobj> &fineX,
const Lattice<vobj> &fineY)
{
typedef decltype(innerProduct(vobj(),vobj())) dotp;
GridBase *coarse(CoarseInner.Grid());
GridBase *fine (fineX.Grid());
Lattice<dotp> fine_inner(fine); fine_inner.Checkerboard() = fineX.Checkerboard();
Lattice<dotp> fine_inner_msk(fine);
// Multiply could be fused with innerProduct
// Single block sum kernel could do both masks.
fine_inner = localInnerProduct(fineX,fineY);
mult(fine_inner_msk, fine_inner,FineMask);
blockSum(CoarseInner,fine_inner_msk);
}
// Fine Object == (per site) type of fine field
// nbasis == number of deflation vectors
template<class Fobj,class CComplex,int nbasis>
class CoarsenedMatrix : public CheckerBoardedSparseMatrixBase<Lattice<iVector<CComplex,nbasis > > > {
public:
typedef iVector<CComplex,nbasis > siteVector;
typedef Lattice<CComplex > CoarseComplexField;
typedef Lattice<siteVector> CoarseVector;
typedef Lattice<iMatrix<CComplex,nbasis > > CoarseMatrix;
typedef iMatrix<CComplex,nbasis > Cobj;
typedef Lattice< CComplex > CoarseScalar; // used for inner products on fine field
typedef Lattice<Fobj > FineField;
typedef CoarseVector FermionField;
// enrich interface, use default implementation as in FermionOperator ///////
void Dminus(CoarseVector const& in, CoarseVector& out) { out = in; }
void DminusDag(CoarseVector const& in, CoarseVector& out) { out = in; }
void ImportPhysicalFermionSource(CoarseVector const& input, CoarseVector& imported) { imported = input; }
void ImportUnphysicalFermion(CoarseVector const& input, CoarseVector& imported) { imported = input; }
void ExportPhysicalFermionSolution(CoarseVector const& solution, CoarseVector& exported) { exported = solution; };
void ExportPhysicalFermionSource(CoarseVector const& solution, CoarseVector& exported) { exported = solution; };
////////////////////
// Data members
////////////////////
Geometry geom;
GridBase * _grid;
GridBase* _cbgrid;
int hermitian;
CartesianStencil<siteVector,siteVector,DefaultImplParams> Stencil;
CartesianStencil<siteVector,siteVector,DefaultImplParams> StencilEven;
CartesianStencil<siteVector,siteVector,DefaultImplParams> StencilOdd;
std::vector<CoarseMatrix> A;
std::vector<CoarseMatrix> Aeven;
std::vector<CoarseMatrix> Aodd;
CoarseMatrix AselfInv;
CoarseMatrix AselfInvEven;
CoarseMatrix AselfInvOdd;
deviceVector<RealD> dag_factor;
///////////////////////
// Interface
///////////////////////
GridBase * Grid(void) { return _grid; }; // this is all the linalg routines need to know
GridBase * RedBlackGrid() { return _cbgrid; };
int ConstEE() { return 0; }
void M (const CoarseVector &in, CoarseVector &out)
{
conformable(_grid,in.Grid());
conformable(in.Grid(),out.Grid());
out.Checkerboard() = in.Checkerboard();
SimpleCompressor<siteVector> compressor;
Stencil.HaloExchange(in,compressor);
autoView( in_v , in, AcceleratorRead);
autoView( out_v , out, AcceleratorWrite);
autoView( Stencil_v , Stencil, AcceleratorRead);
int npoint = geom.npoint;
typedef LatticeView<Cobj> Aview;
deviceVector<Aview> AcceleratorViewContainer(geom.npoint);
hostVector<Aview> hAcceleratorViewContainer(geom.npoint);
for(int p=0;p<geom.npoint;p++) {
hAcceleratorViewContainer[p] = A[p].View(AcceleratorRead);
acceleratorPut(AcceleratorViewContainer[p],hAcceleratorViewContainer[p]);
}
Aview *Aview_p = & AcceleratorViewContainer[0];
const int Nsimd = CComplex::Nsimd();
typedef decltype(coalescedRead(in_v[0])) calcVector;
typedef decltype(coalescedRead(in_v[0](0))) calcComplex;
int osites=Grid()->oSites();
accelerator_for(sss, Grid()->oSites()*nbasis, Nsimd, {
int ss = sss/nbasis;
int b = sss%nbasis;
calcComplex res = Zero();
calcVector nbr;
int ptype;
StencilEntry *SE;
for(int point=0;point<npoint;point++){
SE=Stencil_v.GetEntry(ptype,point,ss);
if(SE->_is_local) {
nbr = coalescedReadPermute(in_v[SE->_offset],ptype,SE->_permute);
} else {
nbr = coalescedRead(Stencil_v.CommBuf()[SE->_offset]);
}
acceleratorSynchronise();
for(int bb=0;bb<nbasis;bb++) {
res = res + coalescedRead(Aview_p[point][ss](b,bb))*nbr(bb);
}
}
coalescedWrite(out_v[ss](b),res);
});
for(int p=0;p<geom.npoint;p++) hAcceleratorViewContainer[p].ViewClose();
};
void Mdag (const CoarseVector &in, CoarseVector &out)
{
if(hermitian) {
// corresponds to Petrov-Galerkin coarsening
return M(in,out);
} else {
// corresponds to Galerkin coarsening
return MdagNonHermitian(in, out);
}
};
void MdagNonHermitian(const CoarseVector &in, CoarseVector &out)
{
conformable(_grid,in.Grid());
conformable(in.Grid(),out.Grid());
out.Checkerboard() = in.Checkerboard();
SimpleCompressor<siteVector> compressor;
Stencil.HaloExchange(in,compressor);
autoView( in_v , in, AcceleratorRead);
autoView( out_v , out, AcceleratorWrite);
autoView( Stencil_v , Stencil, AcceleratorRead);
int npoint = geom.npoint;
typedef LatticeView<Cobj> Aview;
deviceVector<Aview> AcceleratorViewContainer(geom.npoint);
hostVector<Aview> hAcceleratorViewContainer(geom.npoint);
for(int p=0;p<geom.npoint;p++) {
hAcceleratorViewContainer[p] = A[p].View(AcceleratorRead);
acceleratorPut(AcceleratorViewContainer[p],hAcceleratorViewContainer[p]);
}
Aview *Aview_p = & AcceleratorViewContainer[0];
const int Nsimd = CComplex::Nsimd();
typedef decltype(coalescedRead(in_v[0])) calcVector;
typedef decltype(coalescedRead(in_v[0](0))) calcComplex;
int osites=Grid()->oSites();
deviceVector<int> points(geom.npoint);
for(int p=0; p<geom.npoint; p++) {
acceleratorPut(points[p],geom.points_dagger[p]);
}
auto points_p = &points[0];
RealD* dag_factor_p = &dag_factor[0];
accelerator_for(sss, Grid()->oSites()*nbasis, Nsimd, {
int ss = sss/nbasis;
int b = sss%nbasis;
calcComplex res = Zero();
calcVector nbr;
int ptype;
StencilEntry *SE;
for(int p=0;p<npoint;p++){
int point = points_p[p];
SE=Stencil_v.GetEntry(ptype,point,ss);
if(SE->_is_local) {
nbr = coalescedReadPermute(in_v[SE->_offset],ptype,SE->_permute);
} else {
nbr = coalescedRead(Stencil_v.CommBuf()[SE->_offset]);
}
acceleratorSynchronise();
for(int bb=0;bb<nbasis;bb++) {
res = res + dag_factor_p[b*nbasis+bb]*coalescedRead(Aview_p[point][ss](b,bb))*nbr(bb);
}
}
coalescedWrite(out_v[ss](b),res);
});
for(int p=0;p<geom.npoint;p++) hAcceleratorViewContainer[p].ViewClose();
}
void MdirComms(const CoarseVector &in)
{
SimpleCompressor<siteVector> compressor;
Stencil.HaloExchange(in,compressor);
}
void MdirCalc(const CoarseVector &in, CoarseVector &out, int point)
{
conformable(_grid,in.Grid());
conformable(_grid,out.Grid());
out.Checkerboard() = in.Checkerboard();
typedef LatticeView<Cobj> Aview;
deviceVector<Aview> AcceleratorViewContainer(geom.npoint);
hostVector<Aview> hAcceleratorViewContainer(geom.npoint);
for(int p=0;p<geom.npoint;p++) {
hAcceleratorViewContainer[p] = A[p].View(AcceleratorRead);
acceleratorPut(AcceleratorViewContainer[p],hAcceleratorViewContainer[p]);
}
Aview *Aview_p = & AcceleratorViewContainer[0];
autoView( out_v , out, AcceleratorWrite);
autoView( in_v , in, AcceleratorRead);
autoView( Stencil_v , Stencil, AcceleratorRead);
const int Nsimd = CComplex::Nsimd();
typedef decltype(coalescedRead(in_v[0])) calcVector;
typedef decltype(coalescedRead(in_v[0](0))) calcComplex;
accelerator_for(sss, Grid()->oSites()*nbasis, Nsimd, {
int ss = sss/nbasis;
int b = sss%nbasis;
calcComplex res = Zero();
calcVector nbr;
int ptype;
StencilEntry *SE;
SE=Stencil_v.GetEntry(ptype,point,ss);
if(SE->_is_local) {
nbr = coalescedReadPermute(in_v[SE->_offset],ptype,SE->_permute);
} else {
nbr = coalescedRead(Stencil_v.CommBuf()[SE->_offset]);
}
acceleratorSynchronise();
for(int bb=0;bb<nbasis;bb++) {
res = res + coalescedRead(Aview_p[point][ss](b,bb))*nbr(bb);
}
coalescedWrite(out_v[ss](b),res);
});
for(int p=0;p<geom.npoint;p++) hAcceleratorViewContainer[p].ViewClose();
}
void MdirAll(const CoarseVector &in,std::vector<CoarseVector> &out)
{
this->MdirComms(in);
int ndir=geom.npoint-1;
if ((out.size()!=ndir)&&(out.size()!=ndir+1)) {
std::cout <<"MdirAll out size "<< out.size()<<std::endl;
std::cout <<"MdirAll ndir "<< ndir<<std::endl;
GRID_ASSERT(0);
}
for(int p=0;p<ndir;p++){
MdirCalc(in,out[p],p);
}
};
void Mdir(const CoarseVector &in, CoarseVector &out, int dir, int disp){
this->MdirComms(in);
MdirCalc(in,out,geom.point(dir,disp));
};
void Mdiag(const CoarseVector &in, CoarseVector &out)
{
int point=geom.npoint-1;
MdirCalc(in, out, point); // No comms
};
void Mooee(const CoarseVector &in, CoarseVector &out) {
MooeeInternal(in, out, DaggerNo, InverseNo);
}
void MooeeInv(const CoarseVector &in, CoarseVector &out) {
MooeeInternal(in, out, DaggerNo, InverseYes);
}
void MooeeDag(const CoarseVector &in, CoarseVector &out) {
MooeeInternal(in, out, DaggerYes, InverseNo);
}
void MooeeInvDag(const CoarseVector &in, CoarseVector &out) {
MooeeInternal(in, out, DaggerYes, InverseYes);
}
void Meooe(const CoarseVector &in, CoarseVector &out) {
if(in.Checkerboard() == Odd) {
DhopEO(in, out, DaggerNo);
} else {
DhopOE(in, out, DaggerNo);
}
}
void MeooeDag(const CoarseVector &in, CoarseVector &out) {
if(in.Checkerboard() == Odd) {
DhopEO(in, out, DaggerYes);
} else {
DhopOE(in, out, DaggerYes);
}
}
void Dhop(const CoarseVector &in, CoarseVector &out, int dag) {
conformable(in.Grid(), _grid); // verifies full grid
conformable(in.Grid(), out.Grid());
out.Checkerboard() = in.Checkerboard();
DhopInternal(Stencil, A, in, out, dag);
}
void DhopOE(const CoarseVector &in, CoarseVector &out, int dag) {
conformable(in.Grid(), _cbgrid); // verifies half grid
conformable(in.Grid(), out.Grid()); // drops the cb check
GRID_ASSERT(in.Checkerboard() == Even);
out.Checkerboard() = Odd;
DhopInternal(StencilEven, Aodd, in, out, dag);
}
void DhopEO(const CoarseVector &in, CoarseVector &out, int dag) {
conformable(in.Grid(), _cbgrid); // verifies half grid
conformable(in.Grid(), out.Grid()); // drops the cb check
GRID_ASSERT(in.Checkerboard() == Odd);
out.Checkerboard() = Even;
DhopInternal(StencilOdd, Aeven, in, out, dag);
}
void MooeeInternal(const CoarseVector &in, CoarseVector &out, int dag, int inv) {
out.Checkerboard() = in.Checkerboard();
GRID_ASSERT(in.Checkerboard() == Odd || in.Checkerboard() == Even);
CoarseMatrix *Aself = nullptr;
if(in.Grid()->_isCheckerBoarded) {
if(in.Checkerboard() == Odd) {
Aself = (inv) ? &AselfInvOdd : &Aodd[geom.npoint-1];
DselfInternal(StencilOdd, *Aself, in, out, dag);
} else {
Aself = (inv) ? &AselfInvEven : &Aeven[geom.npoint-1];
DselfInternal(StencilEven, *Aself, in, out, dag);
}
} else {
Aself = (inv) ? &AselfInv : &A[geom.npoint-1];
DselfInternal(Stencil, *Aself, in, out, dag);
}
GRID_ASSERT(Aself != nullptr);
}
void DselfInternal(CartesianStencil<siteVector,siteVector,DefaultImplParams> &st, CoarseMatrix &a,
const CoarseVector &in, CoarseVector &out, int dag) {
int point = geom.npoint-1;
autoView( out_v, out, AcceleratorWrite);
autoView( in_v, in, AcceleratorRead);
autoView( st_v, st, AcceleratorRead);
autoView( a_v, a, AcceleratorRead);
const int Nsimd = CComplex::Nsimd();
typedef decltype(coalescedRead(in_v[0])) calcVector;
typedef decltype(coalescedRead(in_v[0](0))) calcComplex;
RealD* dag_factor_p = &dag_factor[0];
if(dag) {
accelerator_for(sss, in.Grid()->oSites()*nbasis, Nsimd, {
int ss = sss/nbasis;
int b = sss%nbasis;
calcComplex res = Zero();
calcVector nbr;
int ptype;
StencilEntry *SE;
SE=st_v.GetEntry(ptype,point,ss);
if(SE->_is_local) {
nbr = coalescedReadPermute(in_v[SE->_offset],ptype,SE->_permute);
} else {
nbr = coalescedRead(st_v.CommBuf()[SE->_offset]);
}
acceleratorSynchronise();
for(int bb=0;bb<nbasis;bb++) {
res = res + dag_factor_p[b*nbasis+bb]*coalescedRead(a_v[ss](b,bb))*nbr(bb);
}
coalescedWrite(out_v[ss](b),res);
});
} else {
accelerator_for(sss, in.Grid()->oSites()*nbasis, Nsimd, {
int ss = sss/nbasis;
int b = sss%nbasis;
calcComplex res = Zero();
calcVector nbr;
int ptype;
StencilEntry *SE;
SE=st_v.GetEntry(ptype,point,ss);
if(SE->_is_local) {
nbr = coalescedReadPermute(in_v[SE->_offset],ptype,SE->_permute);
} else {
nbr = coalescedRead(st_v.CommBuf()[SE->_offset]);
}
acceleratorSynchronise();
for(int bb=0;bb<nbasis;bb++) {
res = res + coalescedRead(a_v[ss](b,bb))*nbr(bb);
}
coalescedWrite(out_v[ss](b),res);
});
}
}
void DhopInternal(CartesianStencil<siteVector,siteVector,DefaultImplParams> &st, std::vector<CoarseMatrix> &a,
const CoarseVector &in, CoarseVector &out, int dag) {
SimpleCompressor<siteVector> compressor;
st.HaloExchange(in,compressor);
autoView( in_v, in, AcceleratorRead);
autoView( out_v, out, AcceleratorWrite);
autoView( st_v , st, AcceleratorRead);
typedef LatticeView<Cobj> Aview;
// determine in what order we need the points
int npoint = geom.npoint-1;
deviceVector<int> points(npoint);
for(int p=0; p<npoint; p++) {
int val = (dag && !hermitian) ? geom.points_dagger[p] : p;
acceleratorPut(points[p], val);
}
auto points_p = &points[0];
deviceVector<Aview> AcceleratorViewContainer(geom.npoint);
hostVector<Aview> hAcceleratorViewContainer(geom.npoint);
for(int p=0;p<geom.npoint;p++) {
hAcceleratorViewContainer[p] = a[p].View(AcceleratorRead);
acceleratorPut(AcceleratorViewContainer[p],hAcceleratorViewContainer[p]);
}
Aview *Aview_p = & AcceleratorViewContainer[0];
const int Nsimd = CComplex::Nsimd();
typedef decltype(coalescedRead(in_v[0])) calcVector;
typedef decltype(coalescedRead(in_v[0](0))) calcComplex;
RealD* dag_factor_p = &dag_factor[0];
if(dag) {
accelerator_for(sss, in.Grid()->oSites()*nbasis, Nsimd, {
int ss = sss/nbasis;
int b = sss%nbasis;
calcComplex res = Zero();
calcVector nbr;
int ptype;
StencilEntry *SE;
for(int p=0;p<npoint;p++){
int point = points_p[p];
SE=st_v.GetEntry(ptype,point,ss);
if(SE->_is_local) {
nbr = coalescedReadPermute(in_v[SE->_offset],ptype,SE->_permute);
} else {
nbr = coalescedRead(st_v.CommBuf()[SE->_offset]);
}
acceleratorSynchronise();
for(int bb=0;bb<nbasis;bb++) {
res = res + dag_factor_p[b*nbasis+bb]*coalescedRead(Aview_p[point][ss](b,bb))*nbr(bb);
}
}
coalescedWrite(out_v[ss](b),res);
});
} else {
accelerator_for(sss, in.Grid()->oSites()*nbasis, Nsimd, {
int ss = sss/nbasis;
int b = sss%nbasis;
calcComplex res = Zero();
calcVector nbr;
int ptype;
StencilEntry *SE;
for(int p=0;p<npoint;p++){
int point = points_p[p];
SE=st_v.GetEntry(ptype,point,ss);
if(SE->_is_local) {
nbr = coalescedReadPermute(in_v[SE->_offset],ptype,SE->_permute);
} else {
nbr = coalescedRead(st_v.CommBuf()[SE->_offset]);
}
acceleratorSynchronise();
for(int bb=0;bb<nbasis;bb++) {
res = res + coalescedRead(Aview_p[point][ss](b,bb))*nbr(bb);
}
}
coalescedWrite(out_v[ss](b),res);
});
}
for(int p=0;p<npoint;p++) hAcceleratorViewContainer[p].ViewClose();
}
CoarsenedMatrix(GridCartesian &CoarseGrid, int hermitian_=0) :
_grid(&CoarseGrid),
_cbgrid(new GridRedBlackCartesian(&CoarseGrid)),
geom(CoarseGrid._ndimension),
hermitian(hermitian_),
Stencil(&CoarseGrid,geom.npoint,Even,geom.directions,geom.displacements),
StencilEven(_cbgrid,geom.npoint,Even,geom.directions,geom.displacements),
StencilOdd(_cbgrid,geom.npoint,Odd,geom.directions,geom.displacements),
A(geom.npoint,&CoarseGrid),
Aeven(geom.npoint,_cbgrid),
Aodd(geom.npoint,_cbgrid),
AselfInv(&CoarseGrid),
AselfInvEven(_cbgrid),
AselfInvOdd(_cbgrid),
dag_factor(nbasis*nbasis)
{
fillFactor();
};
CoarsenedMatrix(GridCartesian &CoarseGrid, GridRedBlackCartesian &CoarseRBGrid, int hermitian_=0) :
_grid(&CoarseGrid),
_cbgrid(&CoarseRBGrid),
geom(CoarseGrid._ndimension),
hermitian(hermitian_),
Stencil(&CoarseGrid,geom.npoint,Even,geom.directions,geom.displacements),
StencilEven(&CoarseRBGrid,geom.npoint,Even,geom.directions,geom.displacements),
StencilOdd(&CoarseRBGrid,geom.npoint,Odd,geom.directions,geom.displacements),
A(geom.npoint,&CoarseGrid),
Aeven(geom.npoint,&CoarseRBGrid),
Aodd(geom.npoint,&CoarseRBGrid),
AselfInv(&CoarseGrid),
AselfInvEven(&CoarseRBGrid),
AselfInvOdd(&CoarseRBGrid),
dag_factor(nbasis*nbasis)
{
fillFactor();
};
void fillFactor() {
Eigen::MatrixXd dag_factor_eigen = Eigen::MatrixXd::Ones(nbasis, nbasis);
if(!hermitian) {
const int nb = nbasis/2;
dag_factor_eigen.block(0,nb,nb,nb) *= -1.0;
dag_factor_eigen.block(nb,0,nb,nb) *= -1.0;
}
// GPU readable prefactor
std::vector<RealD> h_dag_factor(nbasis*nbasis);
thread_for(i, nbasis*nbasis, {
int j = i/nbasis;
int k = i%nbasis;
h_dag_factor[i] = dag_factor_eigen(j, k);
});
acceleratorCopyToDevice(&h_dag_factor[0],&dag_factor[0],dag_factor.size()*sizeof(RealD));
}
void CoarsenOperator(GridBase *FineGrid,LinearOperatorBase<Lattice<Fobj> > &linop,
Aggregation<Fobj,CComplex,nbasis> & Subspace)
{
typedef Lattice<typename Fobj::tensor_reduced> FineComplexField;
typedef typename Fobj::scalar_type scalar_type;
std::cout << GridLogMessage<< "CoarsenMatrix "<< std::endl;
FineComplexField one(FineGrid); one=scalar_type(1.0,0.0);
FineComplexField zero(FineGrid); zero=scalar_type(0.0,0.0);
std::vector<FineComplexField> masks(geom.npoint,FineGrid);
FineComplexField imask(FineGrid); // contributions from within this block
FineComplexField omask(FineGrid); // contributions from outwith this block
FineComplexField evenmask(FineGrid);
FineComplexField oddmask(FineGrid);
FineField phi(FineGrid);
FineField tmp(FineGrid);
FineField zz(FineGrid); zz=Zero();
FineField Mphi(FineGrid);
FineField Mphie(FineGrid);
FineField Mphio(FineGrid);
std::vector<FineField> Mphi_p(geom.npoint,FineGrid);
Lattice<iScalar<vInteger> > coor (FineGrid);
Lattice<iScalar<vInteger> > bcoor(FineGrid);
Lattice<iScalar<vInteger> > bcb (FineGrid); bcb = Zero();
CoarseVector iProj(Grid());
CoarseVector oProj(Grid());
CoarseVector SelfProj(Grid());
CoarseComplexField iZProj(Grid());
CoarseComplexField oZProj(Grid());
CoarseScalar InnerProd(Grid());
std::cout << GridLogMessage<< "CoarsenMatrix Orthog "<< std::endl;
// Orthogonalise the subblocks over the basis
blockOrthogonalise(InnerProd,Subspace.subspace);
// Compute the matrix elements of linop between this orthonormal
// set of vectors.
std::cout << GridLogMessage<< "CoarsenMatrix masks "<< std::endl;
int self_stencil=-1;
for(int p=0;p<geom.npoint;p++)
{
int dir = geom.directions[p];
int disp = geom.displacements[p];
A[p]=Zero();
if( geom.displacements[p]==0){
self_stencil=p;
}
Integer block=(FineGrid->_rdimensions[dir])/(Grid()->_rdimensions[dir]);
LatticeCoordinate(coor,dir);
///////////////////////////////////////////////////////
// Work out even and odd block checkerboarding for fast diagonal term
///////////////////////////////////////////////////////
if ( disp==1 ) {
bcb = bcb + div(coor,block);
}
if ( disp==0 ) {
masks[p]= Zero();
} else if ( disp==1 ) {
masks[p] = where(mod(coor,block)==(block-1),one,zero);
} else if ( disp==-1 ) {
masks[p] = where(mod(coor,block)==(Integer)0,one,zero);
}
}
evenmask = where(mod(bcb,2)==(Integer)0,one,zero);
oddmask = one-evenmask;
GRID_ASSERT(self_stencil!=-1);
for(int i=0;i<nbasis;i++){
phi=Subspace.subspace[i];
std::cout << GridLogMessage<< "CoarsenMatrix vector "<<i << std::endl;
linop.OpDirAll(phi,Mphi_p);
linop.OpDiag (phi,Mphi_p[geom.npoint-1]);
for(int p=0;p<geom.npoint;p++){
Mphi = Mphi_p[p];
int dir = geom.directions[p];
int disp = geom.displacements[p];
if ( (disp==-1) || (!hermitian ) ) {
////////////////////////////////////////////////////////////////////////
// Pick out contributions coming from this cell and neighbour cell
////////////////////////////////////////////////////////////////////////
omask = masks[p];
imask = one-omask;
for(int j=0;j<nbasis;j++){
blockMaskedInnerProduct(oZProj,omask,Subspace.subspace[j],Mphi);
autoView( iZProj_v , iZProj, AcceleratorRead) ;
autoView( oZProj_v , oZProj, AcceleratorRead) ;
autoView( A_p , A[p], AcceleratorWrite);
autoView( A_self , A[self_stencil], AcceleratorWrite);
accelerator_for(ss, Grid()->oSites(), Fobj::Nsimd(),{ coalescedWrite(A_p[ss](j,i),oZProj_v(ss)); });
if ( hermitian && (disp==-1) ) {
for(int pp=0;pp<geom.npoint;pp++){// Find the opposite link and set <j|A|i> = <i|A|j>*
int dirp = geom.directions[pp];
int dispp = geom.displacements[pp];
if ( (dirp==dir) && (dispp==1) ){
auto sft = conjugate(Cshift(oZProj,dir,1));
autoView( sft_v , sft , AcceleratorWrite);
autoView( A_pp , A[pp], AcceleratorWrite);
accelerator_for(ss, Grid()->oSites(), Fobj::Nsimd(),{ coalescedWrite(A_pp[ss](i,j),sft_v(ss)); });
}
}
}
}
}
}
///////////////////////////////////////////
// Faster alternate self coupling.. use hermiticity to save 2x
///////////////////////////////////////////
{
mult(tmp,phi,evenmask); linop.Op(tmp,Mphie);
mult(tmp,phi,oddmask ); linop.Op(tmp,Mphio);
{
autoView( tmp_ , tmp, AcceleratorWrite);
autoView( evenmask_ , evenmask, AcceleratorRead);
autoView( oddmask_ , oddmask, AcceleratorRead);
autoView( Mphie_ , Mphie, AcceleratorRead);
autoView( Mphio_ , Mphio, AcceleratorRead);
accelerator_for(ss, FineGrid->oSites(), Fobj::Nsimd(),{
coalescedWrite(tmp_[ss],evenmask_(ss)*Mphie_(ss) + oddmask_(ss)*Mphio_(ss));
});
}
blockProject(SelfProj,tmp,Subspace.subspace);
autoView( SelfProj_ , SelfProj, AcceleratorRead);
autoView( A_self , A[self_stencil], AcceleratorWrite);
accelerator_for(ss, Grid()->oSites(), Fobj::Nsimd(),{
for(int j=0;j<nbasis;j++){
coalescedWrite(A_self[ss](j,i), SelfProj_(ss)(j));
}
});
}
}
if(hermitian) {
std::cout << GridLogMessage << " ForceHermitian, new code "<<std::endl;
}
InvertSelfStencilLink(); std::cout << GridLogMessage << "Coarse self link inverted" << std::endl;
FillHalfCbs(); std::cout << GridLogMessage << "Coarse half checkerboards filled" << std::endl;
}
void InvertSelfStencilLink() {
std::cout << GridLogDebug << "CoarsenedMatrix::InvertSelfStencilLink" << std::endl;
int localVolume = Grid()->lSites();
typedef typename Cobj::scalar_object scalar_object;
autoView(Aself_v, A[geom.npoint-1], CpuRead);
autoView(AselfInv_v, AselfInv, CpuWrite);
thread_for(site, localVolume, { // NOTE: Not able to bring this to GPU because of Eigen + peek/poke
Eigen::MatrixXcd selfLinkEigen = Eigen::MatrixXcd::Zero(nbasis, nbasis);
Eigen::MatrixXcd selfLinkInvEigen = Eigen::MatrixXcd::Zero(nbasis, nbasis);
scalar_object selfLink = Zero();
scalar_object selfLinkInv = Zero();
Coordinate lcoor;
Grid()->LocalIndexToLocalCoor(site, lcoor);
peekLocalSite(selfLink, Aself_v, lcoor);
for (int i = 0; i < nbasis; ++i)
for (int j = 0; j < nbasis; ++j)
selfLinkEigen(i, j) = static_cast<ComplexD>(TensorRemove(selfLink(i, j)));
selfLinkInvEigen = selfLinkEigen.inverse();
for(int i = 0; i < nbasis; ++i)
for(int j = 0; j < nbasis; ++j)
selfLinkInv(i, j) = selfLinkInvEigen(i, j);
pokeLocalSite(selfLinkInv, AselfInv_v, lcoor);
});
}
void FillHalfCbs() {
std::cout << GridLogDebug << "CoarsenedMatrix::FillHalfCbs" << std::endl;
for(int p = 0; p < geom.npoint; ++p) {
pickCheckerboard(Even, Aeven[p], A[p]);
pickCheckerboard(Odd, Aodd[p], A[p]);
}
pickCheckerboard(Even, AselfInvEven, AselfInv);
pickCheckerboard(Odd, AselfInvOdd, AselfInv);
}
};
NAMESPACE_END(Grid);
#endif
@@ -1,912 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/multigrid/DenseCoarseMatrix.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/blas/BatchedBlas.h>
#include <Grid/algorithms/blas/BatchedInverse.h>
#include <Grid/algorithms/multigrid/BlockCyclicSchurInverse.h>
#include <Grid/algorithms/multigrid/BlockCyclicRedistribute.h>
#include <unordered_map>
NAMESPACE_BEGIN(Grid);
//////////////////////////////////////////////////////////////////////////////////////
// DenseCoarseMatrix: a coarsened operator treated as a DENSE matrix -- explicit,
// row-distributed A^{-1} of a coarsened operator.
//
// - Stencil -> dense DIRECT IMPORT. The coarse operator IS the dense matrix
// unrolled: Dense[(s,a),(s+shift_p,b)] += A[p][s]_{a,b}. Rows of my sites are
// assembled from purely LOCAL _A[p] data: no operator applies, no comms.
// ACCUMULATE (+=) because on short axes distinct shifts wrap to the same
// neighbour. An IMPORT CERTIFICATE compares the dense apply against Op.M on a
// NON-CONSTANT vector (a constant one cannot see a shift-sign error).
//
// - Inversion is END-TO-END fp64 through the 2D block-cyclic recursive Schur
// complement (BlockCyclicSchurInverse): fp64 rank-major import ->
// RowsToCyclic -> in-place recursion (pure point-to-point SUMMA rings and
// local leaves; bitwise reproducible) -> CyclicToRows -> ONE terminal
// rounding into the fp32 apply slab. Distributed at every N and P.
//
// - Split-K apply through GridBLAS.gemmBatched with EXPLICIT leading dimensions
// (arXiv:2409.03904 fig 11): the tiny-output/huge-K GEMM Y = slab^T X becomes
// SPLITK chunk-GEMMs by pointer offset into the resident slab (lda = N),
// partials reduced in one accelerator_for. The source vector is assembled by
// a cartesian ring ALLGATHER of device buffers (pure P2P; ~8x fewer bytes
// than a padded allreduce, and no collective size cliffs). Platform-agnostic:
// deviceVector + GridBLAS run the SAME code on HIP/CUDA/SYCL and CPU(Eigen).
//
// VERIFY ||A Ainv x - x||/||x|| certifies the DEVICE slab + split-K path at the
// end of Import, since the single-RHS apply routes through the same core.
//
// Tensor-depth agnostic: site scalar objects treated as contiguous coarse
// scalars (ComplexF or ComplexD, following the coefficient precision)
// (iScalar wrappers add no data), so any MG level's coarse operator imports.
//////////////////////////////////////////////////////////////////////////////////////
//
// Depends on a coarse operator only to extract its matrix elements; thereafter
// it is given a coarse vector and applies the inverse. Import() is a template
// member so any of the coarse classes will do, and the type of a
// DenseCoarseMatrix does not record which one built it.
//
template<class CComplex,int nbasis>
class DenseCoarseMatrix : public LinearFunction<Lattice<iVector<CComplex,nbasis> > > {
public:
typedef iVector<CComplex,nbasis > siteVector;
typedef Lattice<siteVector> CoarseVector;
typedef Lattice<iMatrix<CComplex,nbasis > > CoarseMatrix;
typedef CoarseVector Field;
using LinearFunction<Field>::operator();
typedef typename Field::vector_object vobj;
typedef typename vobj::scalar_object sobj;
typedef typename CoarseMatrix::vector_object Mvobj;
typedef typename Mvobj::scalar_object Msobj;
// Scalar of the coarse site objects (ComplexF or ComplexD): the apply slab
// is always fp32 and the inversion always fp64, but the SOURCE of both --
// the coarse operator's matrix elements -- carries this precision.
typedef typename GridTypeMapper<CComplex>::scalar_type CoarseScalar;
GridBase *grid;
int nd;
int64_t N; // dense rank = gSites * nbasis
int lsites; // my local sites
int64_t nrows; // my rows = lsites * nbasis
std::vector<Coordinate> myLcoor; // local coordinate of my site ss
std::vector<int64_t> myGsite; // global lex site index of my site ss
std::vector<ComplexF> slab; // nrows x N row-major: A during setup, rows of A^{-1} after
static const int MRHS_MAX = 32;
static const int SPLITK = 32; // requested split-K chunk count, snapped DOWN to a divisor of N
// Apply machinery: resident slab + persistent buffers + AOT split-K pointers.
GridBLAS BLAS;
deviceVector<ComplexF> dSlab;
deviceVector<ComplexF> dX; // N x MRHS_MAX
deviceVector<ComplexF> dY; // nrows x MRHS_MAX
deviceVector<ComplexF> dG; // N x MRHS_MAX lex-major staging for the allgather
deviceVector<int> dLex2Rank;// lex index of a process coordinate -> its rank (allgather block order -> row-block order)
deviceVector<int64_t> dRm2G; // rank-major index (rank*nrows + ss*nbasis + b) -> global column (gsite*nbasis + b) of x / the slab
int myLex;
deviceVector<ComplexF> dPartial; // NK x (nrows x MRHS_MAX)
deviceVector<ComplexF*> aptrs; // slab K-chunk pointers (lda = N)
deviceVector<ComplexF*> xptrs; // X K-chunk pointers (ldb = N)
deviceVector<ComplexF*> cptrs; // partial buffers (ldc = nrows)
std::vector<ComplexF> hX;
std::vector<ComplexF> hY;
int NK; // split-K chunk count (divides N)
// Resident device memory: the apply slab and its staging. deviceVector is
// not evictable, so this counts against the hard budget, not the cache.
uint64_t DeviceBytes(void)
{
return (uint64_t)(dSlab.capacity()+dX.capacity()+dY.capacity()+dG.capacity()+dPartial.capacity())*sizeof(ComplexF)
+ (uint64_t)dLex2Rank.capacity()*sizeof(int)
+ (uint64_t)dRm2G.capacity()*sizeof(int64_t);
}
DenseCoarseMatrix(GridBase *g)
: grid(g)
{
GRID_ASSERT( sizeof(sobj) == nbasis*sizeof(CoarseScalar) );
GRID_ASSERT( sizeof(Msobj) == nbasis*nbasis*sizeof(CoarseScalar) );
nd = grid->_ndimension;
N = grid->gSites() * nbasis;
lsites = grid->lSites();
nrows = (int64_t)lsites * nbasis;
std::cout << GridLogMessage << "DenseCoarseMatrix: N = " << N
<< " (" << grid->gSites() << " sites x " << nbasis << ")"
<< " rows/rank = " << nrows
<< " slab = " << (double)nrows*N*sizeof(ComplexF)/1024./1024. << " MB/rank"
<< std::endl;
////////////////////////////////////////////////////////////////////
// Enumerate my sites: local coords and global lexicographic indices
////////////////////////////////////////////////////////////////////
Coordinate ldims = grid->LocalDimensions();
Coordinate gdims = grid->GlobalDimensions();
myLcoor.resize(lsites);
myGsite.resize(lsites);
for(int ss=0; ss<lsites; ss++){
Coordinate lcoor(nd);
Lexicographic::CoorFromIndex(lcoor, ss, ldims);
Coordinate gcoor(nd);
for(int d=0; d<nd; d++) gcoor[d] = grid->_lstart[d] + lcoor[d];
int64_t gsite;
Lexicographic::IndexFromCoor(gcoor, gsite, gdims);
myLcoor[ss] = lcoor;
myGsite[ss] = gsite;
}
slab.resize((uint64_t)nrows * N);
}
////////////////////////////////////////////////////////////////////
// The only place a coarse operator is needed: pull its elements, invert,
// and make the slab resident. Any class exposing Geometry() and
// ExtractMatrix(p,A) will do -- single RHS or either multiRHS.
////////////////////////////////////////////////////////////////////
template<class CoarseOp>
void Import(CoarseOp &Op)
{
double t0 = usecond();
{
CheckMrhsSlices(Op); // the batched apply keeps its slices apart
ImportDense(Op); // slab <- my rows of A (LOCAL, no comms)
ImportCertificate(Op); // dense apply == Op.M, before inversion
InvertDense(Op); // slab <- my rows of A^{-1}
double t1 = usecond();
std::cout << GridLogMessage << "DenseCoarseMatrix: import+invert took "
<< (t1-t0)/1.0e6 << " s" << std::endl;
}
////////////////////////////////////////////////////////////////////
// Device residency + persistent apply buffers + AOT split-K pointers
////////////////////////////////////////////////////////////////////
{
uint64_t sbytes = (uint64_t)nrows * N * sizeof(ComplexF);
dSlab.resize((uint64_t)nrows*N);
acceleratorCopyToDevice(&slab[0],&dSlab[0],sbytes);
// Split-K chunk count, snapped DOWN to a divisor of N.
NK = 1;
for(int j=1;j<=SPLITK;j++) if ( (N % j) == 0 ) NK = j;
int64_t Kc = N / NK;
dX.resize((uint64_t)N*MRHS_MAX);
dY.resize((uint64_t)nrows*MRHS_MAX);
dPartial.resize((uint64_t)NK*nrows*MRHS_MAX);
hX.resize((uint64_t)N*MRHS_MAX);
hY.resize((uint64_t)nrows*MRHS_MAX);
aptrs.resize(NK); xptrs.resize(NK); cptrs.resize(NK);
std::vector<ComplexF*> h(NK);
for(int j=0;j<NK;j++) h[j] = &dSlab[0] + (uint64_t)j*Kc; // K-offset, lda=N
acceleratorCopyToDevice(&h[0],&aptrs[0],NK*sizeof(ComplexF*));
for(int j=0;j<NK;j++) h[j] = &dX[0] + (uint64_t)j*Kc; // K-offset, ldb=N
acceleratorCopyToDevice(&h[0],&xptrs[0],NK*sizeof(ComplexF*));
for(int j=0;j<NK;j++) h[j] = &dPartial[0] + (uint64_t)j*nrows*MRHS_MAX; // compact, ldc=nrows
acceleratorCopyToDevice(&h[0],&cptrs[0],NK*sizeof(ComplexF*));
{
dG.resize((uint64_t)N*MRHS_MAX);
// allgather delivers blocks in lexicographic-coordinate order; the row
// blocks of x are in RANK order. Same table as BuildRankMajorMap.
int P = grid->ProcessorCount();
std::vector<int> l2r(P);
for(int lp=0; lp<P; lp++){ Coordinate pc(nd); Lexicographic::CoorFromIndex(pc, lp, grid->_processors); l2r[lp] = grid->RankFromProcessorCoor(pc); }
dLex2Rank.resize(P);
acceleratorCopyToDevice(&l2r[0], &dLex2Rank[0], P*sizeof(int));
myLex = CartesianLexIndex(grid);
GRID_ASSERT( l2r[myLex] == grid->ThisRank() );
// x and the slab columns are in GLOBAL-SITE order (hX[myGsite*nbasis+b]);
// the gathered blocks are in RANK-MAJOR order (rank*nrows + ss*nbasis + b).
// The two coincide only on one rank, so scatter through the inverse map.
std::vector<int64_t> g2rm; BuildRankMajorMap(g2rm);
std::vector<int64_t> rm2g(N); for(int64_t g=0; g<N; g++) rm2g[g2rm[g]] = g;
for(int ss=0; ss<lsites; ss++) GRID_ASSERT( rm2g[(int64_t)grid->ThisRank()*nrows + (int64_t)ss*nbasis] == myGsite[ss]*nbasis );
dRm2G.resize(N);
acceleratorCopyToDevice(&rm2g[0], &dRm2G[0], N*sizeof(int64_t));
}
std::cout << GridLogMessage << "DenseCoarseMatrix: slab resident on device ("
<< sbytes/1024./1024. << " MB/rank), split-K NK=" << NK << " (Kc=" << Kc
<< "); DEVICE cartesian ring ALLGATHER (P2P)" << std::endl;
}
////////////////////////////////////////////////////////////////////
// VERIFY: || A (Ainv x) - x || / ||x|| through the DEVICE split-K core.
////////////////////////////////////////////////////////////////////
{
Field x(grid); Field y(grid); Field z(grid);
x = CoarseScalar(1.0,0.0);
double ta = usecond();
(*this)(x, y);
double tb = usecond();
ApplyOracle(Op, y, z);
z = z - x;
RealD rel = std::sqrt(norm2(z)/norm2(x));
std::cout << GridLogMessage << "DenseCoarseMatrix: VERIFY ||A Ainv x - x||/||x|| = "
<< rel << " (one apply took " << (tb-ta)/1000.0 << " ms)" << std::endl;
GRID_ASSERT(rel < 1.0e-2);
}
std::cout << GridLogMessage << "DenseCoarseMatrix: setup complete, total "
<< (usecond()-t0)/1.0e6 << " s" << std::endl;
}
////////////////////////////////////////////////////////////////////
// Apply the source operator to a D dimensional field, whichever kind it is.
//
// A multiRHS operator lives on the D+1 grid, so drive it with several right
// hand sides at once: slice r carries (r+1)*in, and linearity says the
// results must scale likewise. One apply, and unlike a single rhs check it
// also catches rhs mixing. Cheap check, not a production path.
////////////////////////////////////////////////////////////////////
template<class CoarseOp>
void ApplyOracle(CoarseOp &Op,const Field &in, Field &out)
{
if ( Op.Grid() == grid ) { Op.M(in,out); return; }
GridBase *mgrid = Op.Grid();
GRID_ASSERT(mgrid->_ndimension == nd+1);
int nr = mgrid->_fdimensions[0];
// Every slice carries the same vector; slice 0 is the answer. The
// slices are not a check here -- see CheckMrhsSlices, which does that
// once on a field chosen for the purpose.
Field min(mgrid), mout(mgrid);
for(int r=0;r<nr;r++) InsertSliceFast(in,min,r,0);
Op.M(min,mout);
ExtractSliceFast(out,mout,0,0);
}
////////////////////////////////////////////////////////////////////
// Do the multiRHS slices stay independent? Slice r carries (r+1) times
// one RANDOM field, so linearity says the results scale likewise, and a
// slot reading another slot's data is an O(1) error.
//
// The field is random on purpose. Run on the output of the inverse, as
// this check once was, it measures the cancellation in A applied to
// A^-1 x instead: at the production point that is 1.3e-4 in an fp32
// sector with an fp32 inversion, so the check then fires on any change
// of summation order while saying nothing about slice independence.
// Once per import, not per apply.
////////////////////////////////////////////////////////////////////
template<class CoarseOp>
void CheckMrhsSlices(CoarseOp &Op)
{
if ( Op.Grid() == grid ) return; // single rhs: nothing to mix
GridBase *mgrid = Op.Grid();
GRID_ASSERT(mgrid->_ndimension == nd+1);
int nr = mgrid->_fdimensions[0];
if ( nr < 2 ) return;
Field in(grid);
GridParallelRNG rng(grid); rng.SeedFixedIntegers(std::vector<int>({7,8,9,10}));
random(rng,in);
Field min(mgrid), mout(mgrid);
for(int r=0;r<nr;r++){
Field scaled(grid);
scaled = CoarseScalar(r+1.0,0.0)*in;
InsertSliceFast(scaled,min,r,0);
}
Op.M(min,mout);
Field s0(grid);
ExtractSliceFast(s0,mout,0,0);
RealD worst=0.0;
for(int r=1;r<nr;r++){
Field sr(grid),d(grid);
ExtractSliceFast(sr,mout,r,0);
d = sr - CoarseScalar(r+1.0,0.0)*s0;
RealD rel = std::sqrt(norm2(d)/norm2(sr));
worst = std::max(worst,rel);
const RealD otol = (sizeof(CoarseScalar)==sizeof(ComplexF)) ? 1.0e-4 : 1.0e-6;
if ( rel >= otol ) {
std::cout << GridLogMessage << "DenseCoarseMatrix: mrhs slice "<<r
<<" inconsistent with slice 0, rel "<<rel<<std::endl;
}
GRID_ASSERT( rel < otol );
}
std::cout << GridLogMessage << "DenseCoarseMatrix: mrhs slices independent to "
<< worst << " over " << nr << " right hand sides" << std::endl;
}
////////////////////////////////////////////////////////////////////
// 1. Direct stencil -> dense import of MY ROWS of A (no comms):
// Dense[(s,a),(wrap(s+shift_p),b)] += A[p][s]_{a,b}
////////////////////////////////////////////////////////////////////
template<class CoarseOp>
void ImportDense(CoarseOp &Op)
{
double t = -usecond();
Coordinate gdims = grid->GlobalDimensions();
uint64_t nelem = (uint64_t)nrows * N;
thread_for(i, nelem, { slab[i] = ComplexF(0.0,0.0); });
for(int p=0; p<Op.Geometry().npoint; p++){
Coordinate shift = Op.Geometry().shifts[p];
// ExtractMatrix hands back the unpadded matrix field, which is what the
// unpadded coordinates below index.
CoarseMatrix Aun(grid); Op.ExtractMatrix(p,Aun);
autoView(Av, Aun, CpuRead);
thread_for(ss, lsites, {
Coordinate ncoor(nd);
for(int d=0; d<nd; d++){
int64_t g = grid->_lstart[d] + myLcoor[ss][d] + shift[d];
ncoor[d] = (int)((g % gdims[d] + gdims[d]) % gdims[d]);
}
int64_t nsite;
Lexicographic::IndexFromCoor(ncoor, nsite, gdims);
Msobj m;
peekLocalSite(m, Av, myLcoor[ss]);
CoarseScalar *md = (CoarseScalar *)&m;
// The operator contracts out(s,b) = sum_a A[p](s)(a,b) in(nbr,a)
// (GeneralCoarsenedMatrix.h Mult kernel): the stored site matrix
// acts TRANSPOSED, so element (a,b) lands at dense row (s,b),
// column (nbr,a).
for(int b=0; b<nbasis; b++){
ComplexF *row = &slab[(uint64_t)(ss*nbasis+b)*N + nsite*nbasis];
for(int a=0; a<nbasis; a++)
row[a] += ComplexF(md[a*nbasis+b]); // += : wrapped shifts may collide
}
});
}
t += usecond();
// Structural diagnostic: identically-zero rows of my slab (a healthy
// coarse operator has none; dead rows mean a rank-deficient import
// or operator and the inverse will be NaN).
int64_t zrows = 0;
for(int64_t r=0; r<nrows; r++)
{
double mx = 0.0;
const ComplexF *row = &slab[(uint64_t)r*N];
for(int64_t j=0; j<N; j++)
{
mx = std::max(mx, (double)abs(row[j]));
}
if ( mx < 1.0e-30 ) zrows++;
}
RealD gz = (RealD)zrows;
grid->GlobalSumVector(&gz, 1);
std::cout << GridLogMessage << "DenseCoarseMatrix: stencil->dense import took "
<< t/1.0e6 << " s (" << Op.Geometry().npoint << " points, local, no comms)"
<< " zero rows " << (int64_t)gz << "/" << N << std::endl;
// Debug: coordinate pattern of live sites (mechanism fingerprint)
if ( (int64_t)gz > 0 )
{
int shown = 0;
for(int ss=0; ss<lsites && shown<24; ss++)
{
double mx = 0.0;
const ComplexF *row = &slab[(uint64_t)(ss*nbasis)*N];
for(int64_t j=0; j<N; j++)
{
mx = std::max(mx, (double)abs(row[j]));
}
if ( mx > 1.0e-30 )
{
std::cout << GridLogMessage << "DenseCoarseMatrix: LIVE site ss=" << ss
<< " lcoor " << myLcoor[ss] << std::endl;
shown++;
}
}
}
}
////////////////////////////////////////////////////////////////////
// 2. IMPORT CERTIFICATE: dense rows vs Op.M on a NON-CONSTANT vector.
// (Constant x has x[s+d]==x[s-d]: blind to a shift-sign error.)
////////////////////////////////////////////////////////////////////
template<class CoarseOp>
void ImportCertificate(CoarseOp &Op)
{
Field x(grid); Field Ax(grid); Field Dx(grid);
for(int ss=0; ss<lsites; ss++){
sobj s;
for(int b=0; b<nbasis; b++){
double ph = 0.37*(double)(myGsite[ss]*nbasis+b);
((CoarseScalar *)&s)[b] = CoarseScalar(std::cos(ph),std::sin(0.61*ph));
}
pokeLocalSite(s, x, myLcoor[ss]);
}
// gather full x (zero-fill + exact GlobalSum), dense rows on host
std::vector<ComplexD> xh((uint64_t)N, ComplexD(0.0,0.0));
for(int ss=0; ss<lsites; ss++){
sobj s;
peekLocalSite(s, x, myLcoor[ss]);
for(int b=0; b<nbasis; b++) xh[ myGsite[ss]*nbasis + b ] = ComplexD(((CoarseScalar *)&s)[b]);
}
grid->GlobalSumVector(&xh[0], (int)N);
std::vector<ComplexD> yh(nrows);
thread_for(r, nrows, {
ComplexD acc(0.0,0.0);
const ComplexF *row = &slab[(uint64_t)r * N];
for(int64_t j=0; j<N; j++) acc += ComplexD(row[j]) * xh[j];
yh[r] = acc;
});
for(int ss=0; ss<lsites; ss++){
sobj s;
for(int b=0; b<nbasis; b++) ((CoarseScalar *)&s)[b] = CoarseScalar(yh[ss*nbasis+b]);
pokeLocalSite(s, Dx, myLcoor[ss]);
}
ApplyOracle(Op, x, Ax);
Field d(grid); d = Dx - Ax;
RealD rel = std::sqrt(norm2(d)/norm2(Ax));
std::cout << GridLogMessage << "DenseCoarseMatrix: IMPORT CERTIFICATE ||Dense x - A x||/||A x|| = "
<< rel << std::endl;
if ( rel >= 1.0e-3 ) {
std::cout << GridLogMessage << "DenseCoarseMatrix: IMPORT CERTIFICATE FAILED. If O(1), the "
<< "stencil shift-sign convention of the coarse operator has changed: "
<< "the import in ImportDense/ImportDenseForInversion must change with it"
<< std::endl;
}
GRID_ASSERT(rel < 1.0e-3);
}
////////////////////////////////////////////////////////////////////
// 3a. Global column -> rank-major column map, computed LOCALLY.
// Rank-major ordering: rank q's rows/columns are the contiguous
// block [q*nrows, (q+1)*nrows), ordered by q's local site index
// (uniform local volumes make ownership arithmetic exact).
// MPI_Cart_rank is queried ONCE PER RANK (serial, P calls) into a
// lex-processor table; the per-site sweep is then pure arithmetic.
////////////////////////////////////////////////////////////////////
void BuildRankMajorMap(std::vector<int64_t> &g2rm)
{
int P = grid->ProcessorCount();
Coordinate pdims = grid->_processors;
Coordinate gdims = grid->GlobalDimensions();
Coordinate ldims = grid->LocalDimensions();
std::vector<int> lexp2rank(P);
for(int lp=0; lp<P; lp++)
{
Coordinate pcoor(nd);
Lexicographic::CoorFromIndex(pcoor, lp, pdims);
lexp2rank[lp] = grid->RankFromProcessorCoor(pcoor);
}
int64_t gsites = grid->gSites();
g2rm.resize(N);
thread_for(gsite, gsites, {
Coordinate gcoor(nd);
Coordinate pcoor(nd);
Coordinate lcoor(nd);
Lexicographic::CoorFromIndex(gcoor, gsite, gdims);
for(int d=0; d<nd; d++)
{
pcoor[d] = gcoor[d]/ldims[d];
lcoor[d] = gcoor[d]-pcoor[d]*ldims[d];
}
int64_t lexp;
int64_t lsite;
Lexicographic::IndexFromCoor(pcoor, lexp, pdims);
Lexicographic::IndexFromCoor(lcoor, lsite, ldims);
int64_t base = (int64_t)lexp2rank[lexp]*nrows + lsite*nbasis;
for(int b=0; b<nbasis; b++)
{
g2rm[(uint64_t)gsite*nbasis + b] = base + b;
}
});
}
////////////////////////////////////////////////////////////////////
// 3b. Direct stencil -> rank-major import of MY ROWS of A in the
// inversion precision (DenseInverseScalar): the stencil source is
// read once, straight into the buffer the Schur recursion factorises,
// never via the fp32 apply slab. Same
// loop/sign/accumulate/transposed-contraction discipline as
// ImportDense; output is column-major rows x N with columns in
// rank-major order (g2rm).
// ALWAYS-ON CERTIFICATE: this import, rounded, must agree with
// the fp32 slab entry at the corresponding global column, over the
// WHOLE of my rows (few ulp: wrapped-shift collisions accumulate in
// different precision order). NaN-proof: non-finite entries are
// counted explicitly since max() silently masks NaN.
////////////////////////////////////////////////////////////////////
template<class CoarseOp>
void ImportDenseForInversion(CoarseOp &Op, BlockRows &S, std::vector<int64_t> &g2rm)
{
Coordinate gdims = grid->GlobalDimensions();
std::vector<DenseInverseScalar> h((uint64_t)nrows*N, DenseInverseScalar(0.0,0.0));
for(int p=0; p<Op.Geometry().npoint; p++)
{
Coordinate shift = Op.Geometry().shifts[p];
CoarseMatrix Aun(grid); Op.ExtractMatrix(p,Aun);
autoView(Av, Aun, CpuRead);
thread_for(ss, lsites, {
Coordinate ncoor(nd);
for(int d=0; d<nd; d++)
{
int64_t g = grid->_lstart[d] + myLcoor[ss][d] + shift[d];
ncoor[d] = (int)((g % gdims[d] + gdims[d]) % gdims[d]);
}
int64_t nsite;
Lexicographic::IndexFromCoor(ncoor, nsite, gdims);
Msobj m;
peekLocalSite(m, Av, myLcoor[ss]);
CoarseScalar *md = (CoarseScalar *)&m;
// Transposed contraction as ImportDense: (a,b) lands at
// row (s,b), column (nbr,a); column index in rank-major order.
for(int a=0; a<nbasis; a++)
{
int64_t jj = g2rm[ nsite*nbasis + a ];
for(int b=0; b<nbasis; b++)
{
h[(uint64_t)(ss*nbasis+b) + (uint64_t)jj*nrows] += DenseInverseScalar(md[a*nbasis+b]);
}
}
});
}
// Certificate vs the fp32 slab (slab holds A at this point)
double mx = 0.0;
int64_t nbad = 0;
for(int64_t i=0; i<nrows; i++)
{
for(int64_t gcol=0; gcol<N; gcol++)
{
ComplexD d64 = ComplexD(h[(uint64_t)(i + g2rm[gcol]*nrows)]);
ComplexF f32 = slab[(uint64_t)i*N + gcol];
double dev = abs(ComplexD(f32) - d64);
if ( !std::isfinite(dev) ) nbad++;
else mx = std::max(mx, dev);
}
}
RealD gmx = mx;
RealD gbad = (RealD)nbad;
grid->GlobalMax(gmx);
grid->GlobalSumVector(&gbad, 1);
std::cout << GridLogMessage << "DenseCoarseMatrix: inversion-source import certificate "
<< "max|A_inv - A_slab| = " << gmx
<< " non-finite entries " << (int64_t)gbad << std::endl;
GRID_ASSERT( gbad == 0 );
GRID_ASSERT( gmx < 1.0e-5 );
S.Resize(nrows, N);
acceleratorCopyToDevice(&h[0], &S.data[0], (uint64_t)nrows*N*sizeof(DenseInverseScalar));
}
////////////////////////////////////////////////////////////////////
// 3c. The inverse: distributed recursive Schur, end to end in the
// inversion precision (DenseInverseScalar, a configure-time choice):
// stencil -> rank-major import -> recursion -> ONE terminal rounding
// into the fp32 apply slab. Everything downstream (device
// residency, split-K apply, VERIFY) is fp32 regardless.
////////////////////////////////////////////////////////////////////
template<class CoarseOp>
void InvertDense(CoarseOp &Op)
{
double t1 = usecond();
int P = grid->ProcessorCount();
int me = grid->ThisRank();
// Uniform local volumes => contiguous uniform ownership
std::vector<int64_t> rowStart(P+1);
for(int r=0; r<=P; r++)
{
rowStart[r] = (int64_t)r*nrows;
}
GRID_ASSERT( rowStart[P] == N );
std::vector<int64_t> g2rm;
BuildRankMajorMap(g2rm);
// Self-certifying map: my own global rows land at my rank-major slots
for(int ss=0; ss<lsites; ss++)
{
for(int a=0; a<nbasis; a++)
{
GRID_ASSERT( g2rm[ myGsite[ss]*nbasis + a ] == (int64_t)me*nrows + ss*nbasis + a );
}
}
BlockRows S;
ImportDenseForInversion(Op, S, g2rm);
////////////////////////////////////////////////////////////////
// The 2D block-cyclic recursion (BlockCyclicSchurInverse).
// Everything in it -- redistribution, SUMMA rings, leaves -- is
// point-to-point SendToRecvFrom; no collectives at all. Block size
// nb = rows-per-rank makes the redistribution edges maximally
// regular.
////////////////////////////////////////////////////////////////
double t2, t3;
{
int Pr,Pc;
BlockCyclicLayout::ChooseProcessGrid(P, Pr, Pc);
int64_t nb = nrows;
GRID_ASSERT( nb >= 1 );
std::cout << GridLogMessage << "DenseCoarseMatrix: 2D SCHUR invert, process grid "
<< Pr << " x " << Pc << " nb " << nb
<< " (pure P2P: redistribute + SUMMA rings + local leaves)" << std::endl;
BlockCyclicMatrix A2(grid, N, nb, Pr, Pc);
BlockCyclicSchurInverse RSI2;
t2 = usecond();
BlockCyclicRedistribute::RowsToCyclic(grid, rowStart, &S.data[0], nrows, A2);
RSI2.Invert(A2);
BlockCyclicRedistribute::CyclicToRows(grid, rowStart, A2, &S.data[0], nrows);
t3 = usecond();
RSI2.ReportTelemetry(grid);
}
// The single terminal rounding: fp64 inverse -> fp32 apply slab
// (row-major, global columns)
{
std::vector<DenseInverseScalar> h((uint64_t)nrows*N);
acceleratorCopyFromDevice(&S.data[0], &h[0], (uint64_t)nrows*N*sizeof(DenseInverseScalar));
thread_for(gcol, N, {
int64_t jj = g2rm[gcol];
for(int64_t i=0; i<nrows; i++)
{
slab[(uint64_t)i*N + gcol] = ComplexF(h[(uint64_t)(i + jj*nrows)]);
}
});
}
double t4 = usecond();
std::cout << GridLogMessage << "DenseCoarseMatrix: SCHUR "
<< (sizeof(DenseInverseScalar)==sizeof(ComplexF) ? "fp32" : "fp64")
<< " distributed invert took "
<< (t4-t1)/1.0e6 << " s (recursion " << (t3-t2)/1.0e6 << " s)" << std::endl;
}
////////////////////////////////////////////////////////////////////
// CORE apply on packed data: hX[N x nr] (zero-filled, my sites only)
// -> ring allgather -> split-K GEMM against the resident slab ->
// reduce partials -> hY[nrows x nr] (column major). Platform-agnostic:
// deviceVector + GridBLAS (Eigen fallback on CPU builds).
// tprof (optional): per-phase microseconds {allgather, H2D, gemm+reduce,
// D2H}, printed by the caller on GridLogPerformance.
////////////////////////////////////////////////////////////////////
void SlabApplyPacked(int nr, double *tprof)
{
GRID_TRACE("DenseSlabApply");
GRID_ASSERT(nr <= MRHS_MAX);
uint64_t nY = (uint64_t)nrows * nr;
int64_t Kc = N / NK;
double t1 = usecond();
double t2, t3;
{
// ALLGATHER: x is not a reduction -- every rank owns the rows of x at
// global columns myGsite[ss]*nbasis+b (scattered by site coordinate, NOT
// a contiguous block) and needs all of it. Only MY rows go host->device
// (nrows x nr, ~15 KB at nr=1), packed rank-major [r][ss*nbasis+b],
// gathered along the process grid, then scattered through rm2g into the
// column-major dX (ld = N, global-site columns) the split-K GEMM reads.
const uint64_t chunk = (uint64_t)nrows*nr; // my block: [r][ss*nbasis+b]
{ GRID_TRACE("DenseH2D");
std::vector<ComplexF> hG(chunk);
for(int r=0;r<nr;r++)
for(int ss=0; ss<lsites; ss++)
memcpy(&hG[(uint64_t)r*nrows + (uint64_t)ss*nbasis], &hX[(uint64_t)r*N + (uint64_t)myGsite[ss]*nbasis], nbasis*sizeof(ComplexF));
acceleratorCopyToDevice(&hG[0], &dG[(uint64_t)myLex*chunk], chunk*sizeof(ComplexF)); // my slot is my LEX index
}
t2 = usecond();
{ GRID_TRACE("DenseAllgather");
CartesianRingAllGather(grid, (ComplexF *)&dG[0], chunk);
// scatter lex block L=[r][i] -> dX[r*N + rm2g[rank(L)*nrows + i]]
ComplexF *g = &dG[0]; ComplexF *x = &dX[0]; int *l2r = &dLex2Rank[0]; int64_t *rm2g = &dRm2G[0];
const int64_t nrw = nrows; const int64_t NN = N; const int nrr = nr;
accelerator_for(idx, (uint64_t)N*nr, 1, {
int64_t r = idx / NN; int64_t gi = idx - r*NN;
int64_t L = gi / nrw; int64_t i = gi - L*nrw;
x[r*NN + rm2g[(int64_t)l2r[L]*nrw + i]] = g[L*(nrw*nrr) + r*nrw + i];
});
}
t3 = usecond();
}
// Y = op(slab,T) . X : row-major slab (nrows x N) == col-major A^T
// (N x nrows, lda=N) => transpose gives the nrows x N operator.
// Split-K: NK chunk-GEMMs by pointer offset (AOT lists), then reduce.
ComplexF one (1.0,0.0);
ComplexF zero(0.0,0.0);
{ GRID_TRACE("DenseSplitKGEMM");
BLAS.gemmBatched(GridBLAS_OP_T, GridBLAS_OP_N,
(int)nrows, nr, (int)Kc,
one, aptrs, (int)N,
xptrs, (int)N,
zero, cptrs, (int)nrows);
BLAS.synchronise();
ComplexF *pp = &dPartial[0];
ComplexF *py = &dY[0];
uint64_t stride = (uint64_t)nrows*MRHS_MAX;
int nk = NK;
accelerator_for(i, nY, 1, {
ComplexF acc(0.0,0.0);
for(int j=0;j<nk;j++) acc += pp[(uint64_t)j*stride + i];
py[i] = acc;
});
}
double t4 = usecond();
{ GRID_TRACE("DenseD2H");
acceleratorCopyFromDevice(&dY[0],&hY[0],nY*sizeof(ComplexF));
}
double t5 = usecond();
if (tprof) {
tprof[0] = t3-t2; // allgather
tprof[1] = t2-t1; // H2D
tprof[2] = t4-t3; // gemm+reduce
tprof[3] = t5-t4; // D2H
}
}
////////////////////////////////////////////////////////////////////
// Single-RHS apply (also the VERIFY path => certifies device slab).
////////////////////////////////////////////////////////////////////
virtual void operator()(const Field &src, Field &psi)
{
GRID_TRACE("DenseApply1");
uint64_t nX = (uint64_t)N;
{ GRID_TRACE("DensePack");
thread_for(i, nX, { hX[i]=ComplexF(0.0,0.0); });
for(int ss=0; ss<lsites; ss++){
sobj s;
peekLocalSite(s, src, myLcoor[ss]);
for(int b=0; b<nbasis; b++)
hX[ myGsite[ss]*nbasis + b ] = ComplexF(((CoarseScalar *)&s)[b]);
}
}
SlabApplyPacked(1, nullptr);
{ GRID_TRACE("DenseUnpack");
for(int ss=0; ss<lsites; ss++){
sobj s;
for(int b=0; b<nbasis; b++)
((CoarseScalar *)&s)[b] = CoarseScalar(hY[ss*nbasis + b]);
pokeLocalSite(s, psi, myLcoor[ss]);
}
}
}
////////////////////////////////////////////////////////////////////
// Defect of an applied inverse. Was a DENSE_CC_CHECK block inside
// operator(), but that is virtual and cannot take an operator, so the
// caller now asks for it explicitly.
////////////////////////////////////////////////////////////////////
template<class CoarseOp>
void CheckApply(CoarseOp &Op,const Field &src,const Field &psi)
{
Field tmp(grid);
Op.M(psi, tmp);
tmp = tmp - src;
std::cout << GridLogMessage << "DenseCoarseMatrix: apply defect ||A x - b||/||b|| = "
<< std::sqrt(norm2(tmp)/norm2(src)) << std::endl;
}
////////////////////////////////////////////////////////////////////
// Batched (vector-of-fields) apply.
////////////////////////////////////////////////////////////////////
void ApplyBatch(std::vector<Field> &src, std::vector<Field> &psi)
{
int nr = src.size();
GRID_ASSERT(nr <= MRHS_MAX);
double t0 = usecond();
uint64_t nX = (uint64_t)N*nr;
{ GRID_TRACE("DensePack");
thread_for(i, nX, { hX[i]=ComplexF(0.0,0.0); });
for(int rr=0; rr<nr; rr++){
for(int ss=0; ss<lsites; ss++){
sobj s;
peekLocalSite(s, src[rr], myLcoor[ss]);
for(int b=0; b<nbasis; b++)
hX[ (uint64_t)rr*N + myGsite[ss]*nbasis + b ] = ComplexF(((CoarseScalar *)&s)[b]);
}
}
}
SlabApplyPacked(nr, nullptr);
{ GRID_TRACE("DenseUnpack");
for(int rr=0; rr<nr; rr++){
for(int ss=0; ss<lsites; ss++){
sobj s;
for(int b=0; b<nbasis; b++)
((CoarseScalar *)&s)[b] = CoarseScalar(hY[(uint64_t)rr*nrows + (ss*nbasis+b)]);
pokeLocalSite(s, psi[rr], myLcoor[ss]);
}
}
}
double t1 = usecond();
std::cout << GridLogMessage << "DenseCoarseMatrix: batched apply " << nr << " rhs took "
<< (t1-t0)/1000.0 << " ms (" << (t1-t0)/1000.0/nr << " ms/rhs)" << std::endl;
}
template<class CoarseOp>
void CheckApplyBatch(CoarseOp &Op,std::vector<Field> &src,std::vector<Field> &psi,int nr)
{
Field tmp(grid);
for(int rr=0; rr<nr; rr++){
Op.M(psi[rr], tmp);
tmp = tmp - src[rr];
std::cout << GridLogMessage << "DenseCoarseMatrix: batch defect["<<rr<<"] = "
<< std::sqrt(norm2(tmp)/norm2(src[rr])) << std::endl;
}
}
////////////////////////////////////////////////////////////////////
// 6D mrhs apply: operates DIRECTLY on the packed 6D field (rhs = dim 0).
////////////////////////////////////////////////////////////////////
void ApplyBatch6D(const Field &in6, Field &out6, int nr)
{
GRID_ASSERT(nr <= MRHS_MAX);
GRID_ASSERT(in6.Grid()->_ndimension == nd+1); // {rhs, s, x,y,z,t}
double t0 = usecond();
Field &in = const_cast<Field &>(in6);
uint64_t nX = (uint64_t)N * nr;
thread_for(i, nX, { hX[i]=ComplexF(0.0,0.0); });
{ GRID_TRACE("DensePack");
autoView(iv, in, CpuRead);
Coordinate c6(nd+1);
for(int ss=0; ss<lsites; ss++){
for(int d=0; d<nd; d++) c6[d+1] = myLcoor[ss][d];
for(int rr=0; rr<nr; rr++){
c6[0] = rr;
sobj s;
peekLocalSite(s, iv, c6);
for(int b=0; b<nbasis; b++)
hX[(uint64_t)rr*N + myGsite[ss]*nbasis + b] = ComplexF(((CoarseScalar *)&s)[b]);
}
}
}
double t1 = usecond();
double tprof[4];
SlabApplyPacked(nr, tprof);
double t5 = usecond();
{ GRID_TRACE("DenseUnpack");
autoView(ov, out6, CpuWrite);
Coordinate c6(nd+1);
for(int ss=0; ss<lsites; ss++){
for(int d=0; d<nd; d++) c6[d+1] = myLcoor[ss][d];
for(int rr=0; rr<nr; rr++){
c6[0] = rr;
sobj s;
for(int b=0; b<nbasis; b++)
((CoarseScalar *)&s)[b] = CoarseScalar(hY[(uint64_t)rr*nrows + (ss*nbasis+b)]); // Y col-major
pokeLocalSite(s, ov, c6);
}
}
}
double t6 = usecond();
std::cout << GridLogMessage << "DenseCoarseMatrix: apply6D " << nr << " rhs took "
<< (t6-t0)/1000.0 << " ms" << std::endl;
std::cout << GridLogPerformance << "DenseCoarseMatrix: apply6D profile:"
<< " pack " << (t1-t0)/1000.0
<< " allgather " << tprof[0]/1000.0
<< " H2D " << tprof[1]/1000.0
<< " gemm+reduce "<< tprof[2]/1000.0
<< " D2H " << tprof[3]/1000.0
<< " unpack " << (t6-t5)/1000.0
<< " ms" << std::endl;
}
};
NAMESPACE_END(Grid);
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@@ -1,238 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/GeneralCoarsenedMatrix.h
Copyright (C) 2015
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
/////////////////////////////////////////////////////////////////
// Geometry class in cartesian case
/////////////////////////////////////////////////////////////////
class Geometry {
public:
int npoint;
int base;
std::vector<int> directions ;
std::vector<int> displacements;
std::vector<int> points_dagger;
Geometry(int _d) {
base = (_d==5) ? 1:0;
// make coarse grid stencil for 4d , not 5d
if ( _d==5 ) _d=4;
npoint = 2*_d+1;
directions.resize(npoint);
displacements.resize(npoint);
points_dagger.resize(npoint);
for(int d=0;d<_d;d++){
directions[d ] = d+base;
directions[d+_d] = d+base;
displacements[d ] = +1;
displacements[d+_d]= -1;
points_dagger[d ] = d+_d;
points_dagger[d+_d] = d;
}
directions [2*_d]=0;
displacements[2*_d]=0;
points_dagger[2*_d]=2*_d;
}
int point(int dir, int disp) {
GRID_ASSERT(disp == -1 || disp == 0 || disp == 1);
GRID_ASSERT(base+0 <= dir && dir < base+4);
// directions faster index = new indexing
// 4d (base = 0):
// point 0 1 2 3 4 5 6 7 8
// dir 0 1 2 3 0 1 2 3 0
// disp +1 +1 +1 +1 -1 -1 -1 -1 0
// 5d (base = 1):
// point 0 1 2 3 4 5 6 7 8
// dir 1 2 3 4 1 2 3 4 0
// disp +1 +1 +1 +1 -1 -1 -1 -1 0
// displacements faster index = old indexing
// 4d (base = 0):
// point 0 1 2 3 4 5 6 7 8
// dir 0 0 1 1 2 2 3 3 0
// disp +1 -1 +1 -1 +1 -1 +1 -1 0
// 5d (base = 1):
// point 0 1 2 3 4 5 6 7 8
// dir 1 1 2 2 3 3 4 4 0
// disp +1 -1 +1 -1 +1 -1 +1 -1 0
if(dir == 0 and disp == 0)
return 8;
else // New indexing
return (1 - disp) / 2 * 4 + dir - base;
// else // Old indexing
// return (4 * (dir - base) + 1 - disp) / 2;
}
};
/////////////////////////////////////////////////////////////////
// Less local equivalent of Geometry class in cartesian case
/////////////////////////////////////////////////////////////////
class NonLocalStencilGeometry {
public:
// int depth;
int skip;
int hops;
int npoint;
std::vector<Coordinate> shifts;
Coordinate stencil_size;
Coordinate stencil_lo;
Coordinate stencil_hi;
GridCartesian *grid;
GridCartesian *Grid() {return grid;};
int Depth(void){return 1;}; // Ghost zone depth
int Hops(void){return hops;}; // # of hops=> level of corner fill in in stencil
int DimSkip(void){return skip;};
virtual ~NonLocalStencilGeometry() {};
int Reverse(int point)
{
int Nd = Grid()->Nd();
Coordinate shft = shifts[point];
Coordinate rev(Nd);
for(int mu=0;mu<Nd;mu++) rev[mu]= -shft[mu];
for(int p=0;p<npoint;p++){
if(rev==shifts[p]){
return p;
}
}
GRID_ASSERT(0);
return -1;
}
void BuildShifts(void)
{
this->shifts.resize(0);
int Nd = this->grid->Nd();
int dd = this->DimSkip();
for(int s0=this->stencil_lo[dd+0];s0<=this->stencil_hi[dd+0];s0++){
for(int s1=this->stencil_lo[dd+1];s1<=this->stencil_hi[dd+1];s1++){
for(int s2=this->stencil_lo[dd+2];s2<=this->stencil_hi[dd+2];s2++){
for(int s3=this->stencil_lo[dd+3];s3<=this->stencil_hi[dd+3];s3++){
Coordinate sft(Nd,0);
sft[dd+0] = s0;
sft[dd+1] = s1;
sft[dd+2] = s2;
sft[dd+3] = s3;
int nhops = abs(s0)+abs(s1)+abs(s2)+abs(s3);
if(nhops<=this->hops) this->shifts.push_back(sft);
}}}}
this->npoint = this->shifts.size();
std::cout << GridLogMessage << "NonLocalStencilGeometry has "<< this->npoint << " terms in stencil "<<std::endl;
}
NonLocalStencilGeometry(GridCartesian *_coarse_grid,int _hops,int _skip) : grid(_coarse_grid), hops(_hops), skip(_skip)
{
Coordinate latt = grid->GlobalDimensions();
stencil_size.resize(grid->Nd());
stencil_lo.resize(grid->Nd());
stencil_hi.resize(grid->Nd());
for(int d=0;d<grid->Nd();d++){
if ( latt[d] == 1 ) {
stencil_lo[d] = 0;
stencil_hi[d] = 0;
stencil_size[d]= 1;
} else if ( latt[d] == 2 ) {
stencil_lo[d] = -1;
stencil_hi[d] = 0;
stencil_size[d]= 2;
} else if ( latt[d] > 2 ) {
stencil_lo[d] = -1;
stencil_hi[d] = 1;
stencil_size[d]= 3;
}
}
this->BuildShifts();
};
};
// Need to worry about red-black now
class NonLocalStencilGeometry4D : public NonLocalStencilGeometry {
public:
virtual int DerivedDimSkip(void) { return 0;};
NonLocalStencilGeometry4D(GridCartesian *Coarse,int _hops) : NonLocalStencilGeometry(Coarse,_hops,0) { };
virtual ~NonLocalStencilGeometry4D() {};
};
class NonLocalStencilGeometry5D : public NonLocalStencilGeometry {
public:
virtual int DerivedDimSkip(void) { return 1; };
NonLocalStencilGeometry5D(GridCartesian *Coarse,int _hops) : NonLocalStencilGeometry(Coarse,_hops,1) { };
virtual ~NonLocalStencilGeometry5D() {};
};
/*
* Bunch of different options classes
*/
class NextToNextToNextToNearestStencilGeometry4D : public NonLocalStencilGeometry4D {
public:
NextToNextToNextToNearestStencilGeometry4D(GridCartesian *Coarse) : NonLocalStencilGeometry4D(Coarse,4)
{
};
};
class NextToNextToNextToNearestStencilGeometry5D : public NonLocalStencilGeometry5D {
public:
NextToNextToNextToNearestStencilGeometry5D(GridCartesian *Coarse) : NonLocalStencilGeometry5D(Coarse,4)
{
};
};
class NextToNearestStencilGeometry4D : public NonLocalStencilGeometry4D {
public:
NextToNearestStencilGeometry4D(GridCartesian *Coarse) : NonLocalStencilGeometry4D(Coarse,2)
{
};
};
class NextToNearestStencilGeometry5D : public NonLocalStencilGeometry5D {
public:
NextToNearestStencilGeometry5D(GridCartesian *Coarse) : NonLocalStencilGeometry5D(Coarse,2)
{
};
};
class NearestStencilGeometry4D : public NonLocalStencilGeometry4D {
public:
NearestStencilGeometry4D(GridCartesian *Coarse) : NonLocalStencilGeometry4D(Coarse,1)
{
};
};
class NearestStencilGeometry5D : public NonLocalStencilGeometry5D {
public:
NearestStencilGeometry5D(GridCartesian *Coarse) : NonLocalStencilGeometry5D(Coarse,1)
{
};
};
NAMESPACE_END(Grid);
-632
View File
@@ -1,632 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./Grid/algorithms/multigrid/HDCGMultiGrid.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h>
#include <Grid/algorithms/iterative/ImplicitlyRestartedBlockLanczosCoarse.h>
#include <Grid/algorithms/multigrid/PVdagMMultiGrid.h>
#include <Grid/algorithms/multigrid/HDCGMultiGridParams.h>
NAMESPACE_BEGIN(Grid);
//////////////////////////////////////////////////////////////////////////////////////
// The two-level mrhs HDCG (arXiv:1402.2585, mrhs form arXiv:2409.03904) as
// objects, the shape of PVdagMMultiGrid.h:
//
// MGCoarseGrids / MGFineGridsF shared with the PVdagM chain
// HDCGCoarsening everything that is a function of the gauge
// field: the raw near-null basis (and its
// refinement), the transfer operators, the
// Galerkin coarse operator (Hermitian),
// the coarse eigenvectors for deflation
// HDCGSolver the solve chain on a borrowed coarsening:
// smoother, deflated coarse solve, ADEF-2
// preconditioner (fp64 or fp32 behind the
// seam), outer mrhs fPcg / BlockCGrQ
//
// The Hermitian operator is the Schur-preconditioned M^dag M on one
// checkerboard; the near-null basis and the fine fields live on the
// checkerboarded grid. The coarse space is unvectorised and ALWAYS the D+1
// multiRHS field; Nrhs 1 is the extent-1 case. Grids outlive the
// coarsening outlives the solver.
//////////////////////////////////////////////////////////////////////////////////////
template<class Fobj,class CComplex,int nbasis>
class HDCGCoarsening {
public:
typedef Lattice<Fobj> FineField;
typedef MultiGeneralCoarsenedOperator<Fobj,CComplex,nbasis> CoarseOperator;
typedef typename CoarseOperator::CoarseVector CoarseVector;
typedef typename GridTypeMapper<Fobj>::SinglePrecision FobjF;
typedef Lattice<FobjF> FineFieldF;
MGCoarseGrids &Grids; // borrowed
MGFineGridsF &GridsF; // borrowed
GridBase *FrbGrid; // borrowed: the checkerboarded fine grid
int cb;
HDCGMultiGridParams Params;
NextToNextToNextToNearestStencilGeometry5D geom; // the coarse stencil of the Schur operator
CoarseOperator CoarseOp;
//////////////////////////////////////////////////////////////////////
// ONE fine transfer operator. Its STORE follows the coarse sector --
// the coarse space is what it feeds -- while its import and export
// accept EITHER fine precision, because they are already a layout
// transformation and a scalar conversion inside one costs nothing.
//////////////////////////////////////////////////////////////////////
static const bool CoarseIsSingle =
( sizeof(typename GridTypeMapper<CComplex>::scalar_type) == sizeof(ComplexF) );
typedef typename std::conditional<CoarseIsSingle,FineFieldF,FineField>::type ProjectorField;
typedef MultiRHSBlockProject<ProjectorField> ProjectorL1_t;
ProjectorL1_t MrhsProjectorL1;
std::vector<FineField> rawNull; // RAW fine near-null basis
std::vector<CoarseVector> evec; // coarse eigenvectors, on Coarse5d
std::vector<RealD> eval;
MultiRHSDeflation<CoarseVector> Deflator; // nev==0 until CoarseLanczos
GridCartesian *CMrhs; // transient solve grid, owned
int nrhs;
HDCGCoarsening(MGCoarseGrids &_Grids, MGFineGridsF &_GridsF, GridBase *_FrbGrid, int _cb,
const HDCGMultiGridParams &P)
: Grids(_Grids), GridsF(_GridsF), FrbGrid(_FrbGrid), cb(_cb), Params(P),
geom(_Grids.Coarse5d),
CoarseOp(geom,_Grids.Coarse5d),
CMrhs(nullptr),
nrhs(-1)
{
Deflator.Deallocate();
// The coarse stencil is a max-norm-1 box (Geometry.h) and the Schur
// operator M^dag M reaches four fine hops, so a block shorter than 4
// leaves couplings outside the stencil: the Fourier extraction then
// folds them into the retained points and the Galerkin certificate
// reads it. Warn here; the certificate is the guard.
for(int d=0;d<4;d++){
if ( Params.Setup.Block1[d] < 4 )
std::cout << GridLogWarning << "HDCGCoarsening: Block1[" << d << "] = " << Params.Setup.Block1[d]
<< " < 4: the Schur operator's range exceeds the coarse stencil; "
<< "expect a Galerkin defect" << std::endl;
}
};
~HDCGCoarsening()
{
CoarseOp.ReleaseGrid(); // borrowers let go before their grids die
if ( CMrhs ) delete CMrhs;
}
int FileExists(const std::string &fname)
{
uint64_t exists=0;
if ( fname.length() ) {
if ( Grids.FGrid->IsBoss() ){ std::ifstream f(fname); exists=f.good()?1:0; }
Grids.FGrid->GlobalSum(exists);
}
return (int)exists;
}
FineField FineNoise(GridParallelRNG &RNG)
{
FineField v(FrbGrid); v.Checkerboard()=cb; gaussian(RNG,v);
return v;
}
// Chebyshev upper bound: the parameter, or 1.1 x a power-method estimate
RealD UpperBound(RealD param, LinearOperatorBase<FineField> &HermOp, GridParallelRNG &RNG)
{
if ( param > 0.0 ) return param;
FineField src = FineNoise(RNG);
PowerMethod<FineField> PM;
RealD lam = PM(HermOp,src);
std::cout << GridLogMessage << "HDCGCoarsening: fine power method " << lam
<< ", Chebyshev upper bound " << 1.1*lam << std::endl;
return 1.1*lam;
}
////////////////////////////////////////////////////////////////////
// The RAW basis: a refined basis on disk wins, then a raw basis on
// disk, else built by the chosen method (and saved if named). CG
// refinement happens here; HDCG refinement needs a solver, see
// HDCGRefineSubspace below. The Aggregation is scaffolding for the
// Chebyshev filters only: they run entirely on the fine grid.
////////////////////////////////////////////////////////////////////
void GetSubspace(GridParallelRNG &RNG, LinearOperatorBase<FineField> &HermOp)
{
const HDCGSubspaceParams &S = Params.Subspace;
rawNull.clear();
rawNull.reserve(nbasis);
for(int k=0;k<nbasis;k++){ rawNull.push_back(FineField(FrbGrid)); rawNull[k].Checkerboard()=cb; }
if ( FileExists(S.RefinedSubspaceFile) ) {
std::cout << GridLogMessage << "HDCGCoarsening: loading REFINED subspace " << S.RefinedSubspaceFile << std::endl;
loadSubspace(rawNull, S.RefinedSubspaceFile, S.FileControl);
return;
}
if ( FileExists(Params.Setup.SubspaceFile) ) {
std::cout << GridLogMessage << "HDCGCoarsening: loading subspace " << Params.Setup.SubspaceFile << std::endl;
loadSubspace(rawNull, Params.Setup.SubspaceFile, S.FileControl);
} else {
Aggregation<Fobj,CComplex,nbasis> Agg(Grids.Coarse5d,FrbGrid,cb);
if ( S.Method == HDCGSubspaceMethod::ChebyshevNew ) {
RealD hi = UpperBound(S.ChebyHi,HermOp,RNG);
std::cout << GridLogMessage << "HDCGCoarsening: CreateSubspaceChebyshevNew hi " << hi << std::endl;
Agg.CreateSubspaceChebyshevNew(RNG,HermOp,hi);
} else if ( S.Method == HDCGSubspaceMethod::Chebyshev ) {
RealD hi = UpperBound(S.ChebyHi,HermOp,RNG);
std::cout << GridLogMessage << "HDCGCoarsening: CreateSubspaceChebyshev hi " << hi
<< " lo " << S.ChebyLo << " order " << S.ChebyOrder << std::endl;
Agg.CreateSubspaceChebyshev(RNG,HermOp,nbasis,hi,S.ChebyLo,S.ChebyOrder);
} else {
std::cout << GridLogMessage << "HDCGCoarsening: subspace from fine eigenvectors " << S.FineEvecFile
<< " summed " << S.FineEvecSample << " per vector" << std::endl;
LoadFineEvecSum(Agg.subspace,S.FineEvecFile,S.FineEvecSample,S.FileControl);
}
for(int k=0;k<nbasis;k++) rawNull[k]=Agg.subspace[k];
if ( Params.Setup.SubspaceFile.length() )
saveSubspace(rawNull, Params.Setup.SubspaceFile, S.FileControl);
}
if ( S.Refine == HDCGRefineMethod::CG ) {
std::cout << GridLogMessage << "HDCGCoarsening: CG refinement shift " << S.RefineShift
<< " tol " << S.RefineTol << " maxit " << S.RefineMaxIt << std::endl;
Aggregation<Fobj,CComplex,nbasis> Agg(Grids.Coarse5d,FrbGrid,cb);
for(int k=0;k<nbasis;k++) Agg.subspace[k]=rawNull[k];
Agg.RefineSubspace(HermOp,S.RefineShift,S.RefineTol,S.RefineMaxIt);
for(int k=0;k<nbasis;k++) rawNull[k]=Agg.subspace[k];
if ( S.RefinedSubspaceFile.length() )
saveSubspace(rawNull, S.RefinedSubspaceFile, S.FileControl);
}
}
// Basis vector b = precisionChange of the sum of `sample` consecutive fp32 records
void LoadFineEvecSum(std::vector<FineField> &sub, const std::string &file, int sample, int control)
{
#ifdef HAVE_LIME
emptyUserRecord record;
FineFieldF tmp(GridsF.FrbGridF), sum(GridsF.FrbGridF);
tmp.Checkerboard()=cb; sum.Checkerboard()=cb;
ScidacReader RD;
RD.open(file);
for(int b=0;b<nbasis;b++){
sum = Zero();
for(int n=0;n<sample;n++){
RD.readScidacFieldRecord(tmp,record,control);
sum = sum + tmp;
}
precisionChange(sub[b],sum);
}
RD.close();
#else
GRID_ASSERT(0);
#endif
}
////////////////////////////////////////////////////////////////////
// HDCG refinement of the raw basis (the paper's loop): blocks of
// nrhs vectors, normalised, solved with the refining solver, and
// renormalised. The solver was built on the SHIFTED operator and
// the coarsening of it; the caller re-coarsens afterwards.
////////////////////////////////////////////////////////////////////
void RefineSubspaceHDCG(LinearOperatorBase<FineField> &HermOp, TwoLevelCGmrhs<FineField> &Refiner, int nr)
{
std::vector<FineField> src(nr,FrbGrid), res(nr,FrbGrid);
FineField tmp(FrbGrid); tmp.Checkerboard()=cb;
for(int r=0;r<nr;r++){ src[r].Checkerboard()=cb; res[r].Checkerboard()=cb; }
for(int b=0;b<nbasis;b+=nr){
int nb = std::min(nbasis-b,nr);
for(int r=0;r<nb;r++){
RealD scale = std::pow(norm2(rawNull[b+r]),-0.5);
src[r] = rawNull[b+r]*scale;
}
for(int r=nb;r<nr;r++) src[r] = src[0]; // pad the block; results discarded
for(int r=0;r<nr;r++) res[r] = Zero();
HermOp.HermOp(src[0],tmp);
std::cout << GridLogMessage << "HDCGCoarsening: refine block " << b << " before <n|A|n> " << norm2(tmp) << std::endl;
Refiner(src,res);
for(int r=0;r<nb;r++){
RealD scale = std::pow(norm2(res[r]),-0.5);
rawNull[b+r] = res[r]*scale;
}
HermOp.HermOp(rawNull[b],tmp);
std::cout << GridLogMessage << "HDCGCoarsening: refine block " << b << " after <n|A|n> " << norm2(tmp) << std::endl;
}
}
////////////////////////////////////////////////////////////////////
// The Galerkin coarse operator and transfer operators from the RAW
// basis. CoarsenOperator block-orthonormalises its input in place,
// so a working copy is taken and the RAW vectors survive. The
// operator handed in must apply the Hermitian operator through Op
// (HermOpAdaptor).
//
// The RAW basis has done its work once this returns, so it is freed --
// it is nbasis fine vectors, the single largest resident block of the
// setup. retain_basis keeps it, for the two callers that coarsen more
// than once: the HDCG subspace refinement below, and a fixed-basis
// rebuild on a changed gauge field (HMC). Setup.RetainSubspace keeps
// it for the whole life of the object.
////////////////////////////////////////////////////////////////////
void Coarsen(LinearOperatorBase<FineField> &HermOp, int retain_basis=0)
{
GRID_ASSERT( rawNull.size() == nbasis );
std::vector<FineField> sub(rawNull);
CoarseOp.SetGrid(Grids.CoarseBatch);
std::cout << GridLogMessage << "HDCGCoarsening: CoarsenOperator, batch " << Grids.batch << std::endl;
// CoarsenOperator orthonormalises sub in place and imports it into OUR
// transfer operator, which it then uses. One basis store, imported once.
// The projector's grid carries the STORE's SIMD layout: the fp32 fine
// red-black grid when the coarse sector is fp32.
MrhsProjectorL1.Allocate(nbasis,
CoarseIsSingle ? (GridBase *)GridsF.FrbGridF : (GridBase *)FrbGrid,
Grids.Coarse5d);
CoarseOp.CoarsenOperator(HermOp,sub,Grids.Coarse5d,Grids.batch,MrhsProjectorL1);
if ( !retain_basis && !Params.Setup.RetainSubspace ) DiscardBasis();
MrhsProjectorL1.ReleaseScratch();
nrhs = -1; // the batch grid is set; SetNrhs retargets
ReportDeviceFootprint("after Coarsen");
}
////////////////////////////////////////////////////////////////////
// Retarget the coarse operator to Nrhs: the D+1 grid is owned here
// and every borrower re-captures it after this call.
////////////////////////////////////////////////////////////////////
void SetNrhs(int nr)
{
if ( nr == nrhs ) return;
CoarseOp.ReleaseGrid();
if ( CMrhs ) { delete CMrhs; CMrhs=nullptr; }
Coordinate cml({nr,1,Grids.clatt[0],Grids.clatt[1],Grids.clatt[2],Grids.clatt[3]});
CMrhs = new GridCartesian(cml,Grids.cmsimd,Grids.cmmpi);
CoarseOp.SetGrid(CMrhs);
nrhs = nr;
std::cout << GridLogMessage << "HDCGCoarsening: coarse operator at Nrhs " << nr << std::endl;
}
////////////////////////////////////////////////////////////////////
// Coarse eigenvectors for the deflated coarse solve. Block Lanczos
// runs at the solve's Nrhs on the D+1 operator; plain Lanczos at
// Nrhs 1 (the extent-1 D+1 grid), its vectors then sliced to the D
// grid so both feed the deflator the same way. Loaded from EvecFile
// when present, saved there when named.
////////////////////////////////////////////////////////////////////
void CoarseLanczos(int nr)
{
const HDCGLanczosParams &L = Params.Lanczos;
evec.clear(); eval.clear();
Deflator.Deallocate();
if ( L.Method == HDCGLanczosMethod::None ) {
std::cout << GridLogMessage << "HDCGCoarsening: no coarse deflation" << std::endl;
return;
}
if ( FileExists(L.EvecFile) ) {
std::cout << GridLogMessage << "HDCGCoarsening: loading coarse eigenpairs " << L.EvecFile << std::endl;
loadEigenpairs(evec,eval,L.EvecFile,Grids.Coarse5d,Params.Subspace.FileControl);
} else {
int Nconv=0;
SetNrhs( L.Method == HDCGLanczosMethod::Block ? nr : 1 );
HermitianLinearOperator<CoarseOperator,CoarseVector> HermOpC(CoarseOp);
GridParallelRNG cRNG(CMrhs); cRNG.SeedFixedIntegers(std::vector<int>({31,32,33,34}));
RealD hi = L.ChebyHi;
if ( hi <= 0.0 ) {
CoarseVector s(CMrhs); random(cRNG,s);
PowerMethod<CoarseVector> PM;
hi = 1.1*PM(HermOpC,s);
std::cout << GridLogMessage << "HDCGCoarsening: coarse Chebyshev upper bound " << hi << std::endl;
}
Chebyshev<CoarseVector> Cheby(L.ChebyLo,hi,L.ChebyOrder);
if ( L.Method == HDCGLanczosMethod::Block ) {
std::cout << GridLogMessage << "HDCGCoarsening: block Lanczos, Nrhs " << nr
<< " Nstop " << L.Nstop << " Nk " << L.Nk << " Nm " << L.Nm << std::endl;
ImplicitlyRestartedBlockLanczosCoarse<CoarseVector>
IRL(HermOpC,Grids.Coarse5d,CMrhs,nr,Cheby,L.Nstop,1,nr,L.Nk,L.Nm,L.Tol,L.MaxIt);
evec.resize(L.Nm,Grids.Coarse5d);
eval.resize(L.Nm);
std::vector<CoarseVector> src(nr,Grids.Coarse5d);
GridParallelRNG dRNG(Grids.Coarse5d); dRNG.SeedFixedIntegers(std::vector<int>({41,42,43,44}));
for(int r=0;r<nr;r++) random(dRNG,src[r]);
IRL.calc(eval,evec,src,Nconv,LanczosType::irbl);
evec.resize(Nconv,Grids.Coarse5d); // only the converged pairs
eval.resize(Nconv);
} else {
std::cout << GridLogMessage << "HDCGCoarsening: plain Lanczos at Nrhs 1, Nstop " << L.Nstop
<< " Nk " << L.Nk << " Nm " << L.Nm << std::endl;
PlainHermOp<CoarseVector> Op(HermOpC);
FunctionHermOp<CoarseVector> OpCheby(Cheby,HermOpC);
ImplicitlyRestartedLanczos<CoarseVector> IRL(OpCheby,Op,L.Nstop,L.Nk,L.Nm,L.Tol,L.MaxIt);
std::vector<CoarseVector> evec1(L.Nm,CMrhs);
std::vector<RealD> eval1(L.Nm);
CoarseVector src(CMrhs); random(cRNG,src);
IRL.calc(eval1,evec1,src,Nconv);
evec.resize(Nconv,Grids.Coarse5d);
eval.resize(Nconv);
for(int e=0;e<Nconv;e++){ ExtractSliceFast(evec[e],evec1[e],0,0); eval[e]=eval1[e]; }
}
// The Lanczos routines set their outputs only on reaching Nstop;
// a partial result carries no usable eigenpairs.
if ( Nconv < L.Nstop ) {
std::cout << GridLogWarning << "HDCGCoarsening: coarse Lanczos converged " << Nconv << " < Nstop " << L.Nstop
<< " modes (Chebyshev window [" << L.ChebyLo << "," << hi << "] must hold at least Nstop eigenvalues"
<< " and Nm must resolve them); coarse solve undeflated" << std::endl;
evec.clear(); eval.clear();
return;
}
if ( L.EvecFile.length() ) saveEigenpairs(evec,eval,L.EvecFile,Params.Subspace.FileControl);
}
const int nev = evec.size();
Deflator.ImportEigenBasis(evec,eval);
// The Lattice-layout copies have been imported into the BLAS store and
// saved if they were going to be; the solve reads only the BLAS store.
evec.clear(); evec.shrink_to_fit();
std::cout << GridLogMessage << "HDCGCoarsening: " << nev << " coarse eigenvectors imported for deflation"
<< (nev ? " (lowest "+std::to_string(eval[0])+", highest "+std::to_string(eval[nev-1])+")" : "")
<< std::endl;
ReportDeviceFootprint("after CoarseLanczos");
}
////////////////////////////////////////////////////////////////////
// Certificates at Nrhs 1 through the solve's own transfer operators:
// Galerkin ||A_c x - P^dag A P x|| / ||A_c x|| (the rounding level of
// the coarsening: fp64 coarse ~1e-13, fp32 ~1e-6), and Hermiticity
// |<x,A_c y> - <A_c x,y>| / |<x,A_c y>|, which CG relies on.
////////////////////////////////////////////////////////////////////
RealD CertifyCoarsening(LinearOperatorBase<FineField> &HermOp)
{
SetNrhs(1);
CoarseVector xc(CMrhs), yc(CMrhs), Acx(CMrhs), Acy(CMrhs), PtAPx(CMrhs);
GridParallelRNG cRNG(CMrhs); cRNG.SeedFixedIntegers(std::vector<int>({21,22,23,24}));
random(cRNG,xc);
random(cRNG,yc);
CoarseOp.M(xc,Acx); // A_c x
CoarseOp.M(yc,Acy); // A_c y
std::vector<FineField> Px(1,FrbGrid), APx(1,FrbGrid);
Px[0].Checkerboard()=cb; APx[0].Checkerboard()=cb;
MrhsProjectorL1.blockPromote(Px,xc); // P x
HermOp.HermOp(Px[0],APx[0]); // A P x
MrhsProjectorL1.blockProject(APx,PtAPx); // P^dag A P x
CoarseVector d(CMrhs); d = Acx - PtAPx;
RealD rel = std::sqrt(norm2(d)/norm2(Acx));
ComplexD xAy = TensorRemove(innerProduct(xc,Acy));
ComplexD Axy = TensorRemove(innerProduct(Acx,yc));
RealD herm = abs(xAy-Axy)/abs(xAy);
std::cout << GridLogMessage << "HDCGCoarsening: GALERKIN CERTIFICATE ||A_c x - P^dag A P x||/||A_c x|| = " << rel << std::endl;
std::cout << GridLogMessage << "HDCGCoarsening: HERMITICITY CERTIFICATE |<x,A_c y> - <A_c x,y>|/|<x,A_c y>| = " << herm << std::endl;
return rel;
}
//////////////////////////////////////////////////////////////////////
// The device memory this coarsening holds that the memory manager
// CANNOT evict: BLAS stores, which are plain device allocations.
// Lattice fields are omitted on purpose -- they are evictable, so they
// cost eviction traffic, not failure. What is reported is what has to
// fit alongside the manager's cache, the comms buffers and the shm
// segment, which is the budget an out-of-memory run actually breaks.
//////////////////////////////////////////////////////////////////////
void ReportDeviceFootprint(const std::string &when)
{
uint64_t p1 = MrhsProjectorL1.DeviceBytes();
uint64_t o1 = CoarseOp.DeviceBytes();
uint64_t df = Deflator.DeviceBytes();
const double G = 1024.*1024.*1024.;
std::cout << GridLogMessage << "HDCGCoarsening (" << when << "): resident device memory/rank "
<< (p1+o1+df)/G << " GB = transfer L1 " << p1/G
<< " + operator L1 " << o1/G
<< " + deflation " << df/G << " GB" << std::endl;
std::cout << GridLogMessage << "HDCGCoarsening (" << when << "): not evictable; must fit alongside the "
<< MemoryManager::DeviceMaxBytes/G
<< " GB manager cache, the comms buffers and the shm segment" << std::endl;
}
void DiscardBasis(void)
{
rawNull.clear(); rawNull.shrink_to_fit();
}
};
//////////////////////////////////////////////////////////////////////
// The solve chain on a borrowed coarsening. Both fine precisions are
// built; the outer picks the fp32 preconditioner through the seam when
// Setup.FinePrecision is fp32. OperatorShift is 0 in production; the
// HDCG-refinement solver runs on the shifted operator.
//////////////////////////////////////////////////////////////////////
template<class Matrix,class MatrixF,class Coarsening>
class HDCGSolver {
public:
typedef typename Coarsening::FineField FineField;
typedef typename Coarsening::FineFieldF FineFieldF;
typedef typename Coarsening::CoarseOperator CoarseOperator;
typedef typename Coarsening::CoarseVector CoarseVector;
Coarsening &C;
HDCGMultiGridParams Params;
int nrhs;
int _regrid; // FIRST member-like init: SetNrhs before members capture grids
RealD OperatorShift;
// fp64 fine chain
SchurDiagMooeeOperator<Matrix,FineField> HermOpEO;
ShiftedHermOpLinearOperator<FineField> HermOpShifted;
HermOpAdaptor<FineField> FineOp; // Op = HermOp: the operator of the solve
ShiftedHermOpLinearOperator<FineField> SmootherOp;
CGSmoother<FineField> SmootherCG;
ChebyshevSmoother<FineField> SmootherCheby;
// coarse
HermitianLinearOperator<CoarseOperator,CoarseVector> LinOpC;
ConjugateGradient<CoarseVector> CoarseCG;
DoNothingGuesser<CoarseVector> NoGuess;
HPDSolver<CoarseVector> CoarseDeflatedCG;
ChebyshevInverter<CoarseVector> CoarseCheby;
MrhsADEF2Preconditioner<FineField,CoarseVector,typename Coarsening::ProjectorL1_t> ADEF2;
// fp32 fine chain, behind the seam; the coarse solve is shared
SchurDiagMooeeOperator<MatrixF,FineFieldF> HermOpEOF;
ShiftedHermOpLinearOperator<FineFieldF> HermOpShiftedF;
HermOpAdaptor<FineFieldF> FineOpF;
ShiftedHermOpLinearOperator<FineFieldF> SmootherOpF;
CGSmoother<FineFieldF> SmootherCGF;
ChebyshevSmoother<FineFieldF> SmootherChebyF;
MrhsADEF2Preconditioner<FineFieldF,CoarseVector,typename Coarsening::ProjectorL1_t> ADEF2F;
MrhsMixedPrecPreconditioner<FineField,FineFieldF> PreconSeam;
TwoLevelCGmrhs<FineField> Outer;
LinearFunction<FineField> &PickSmoother(void) {
return (Params.Smoother.Type==HDCGSmootherType::CG)
? static_cast<LinearFunction<FineField>&>(SmootherCG)
: static_cast<LinearFunction<FineField>&>(SmootherCheby);
}
LinearFunction<FineFieldF> &PickSmootherF(void) {
return (Params.Smoother.Type==HDCGSmootherType::CG)
? static_cast<LinearFunction<FineFieldF>&>(SmootherCGF)
: static_cast<LinearFunction<FineFieldF>&>(SmootherChebyF);
}
LinearFunction<CoarseVector> &PickCoarseSolve(void) {
return (Params.CoarseSolver.Method==HDCGCoarseMethod::DeflatedCG)
? static_cast<LinearFunction<CoarseVector>&>(CoarseDeflatedCG)
: static_cast<LinearFunction<CoarseVector>&>(CoarseCheby);
}
template<class F, class Op, class ShiftedOp>
static LinearOperatorBase<F> &Unshifted(RealD shift, Op &op, ShiftedOp &shifted) {
return (shift==0.0) ? static_cast<LinearOperatorBase<F>&>(op) : static_cast<LinearOperatorBase<F>&>(shifted);
}
HDCGSolver(Matrix &Ddwf, MatrixF &DdwfF, Coarsening &_C, const HDCGMultiGridParams &P, int nr, RealD shift=0.0)
: C(_C), Params(P), nrhs(nr),
_regrid((C.SetNrhs(nr),0)),
OperatorShift(shift),
HermOpEO(Ddwf),
HermOpShifted(HermOpEO,shift),
FineOp(Unshifted<FineField>(shift,HermOpEO,HermOpShifted)),
SmootherOp(FineOp,P.Smoother.Shift),
SmootherCG(P.Smoother.Order,SmootherOp),
SmootherCheby(P.Smoother.ChebyLo,P.Smoother.ChebyHi,P.Smoother.Order,FineOp),
LinOpC(C.CoarseOp),
CoarseCG(P.CoarseSolver.Tol,P.CoarseSolver.MaxIt,false),
CoarseDeflatedCG(LinOpC,CoarseCG,NoGuess),
CoarseCheby(P.CoarseSolver.ChebyLo,P.CoarseSolver.ChebyHi,P.CoarseSolver.ChebyOrder,LinOpC),
ADEF2(FineOp,PickSmoother(),PickCoarseSolve(),PickCoarseSolve(),C.MrhsProjectorL1,C.Deflator,C.CMrhs,C.FrbGrid),
HermOpEOF(DdwfF),
HermOpShiftedF(HermOpEOF,shift),
FineOpF(Unshifted<FineFieldF>(shift,HermOpEOF,HermOpShiftedF)),
SmootherOpF(FineOpF,P.Smoother.Shift),
SmootherCGF(P.Smoother.Order,SmootherOpF),
SmootherChebyF(P.Smoother.ChebyLo,P.Smoother.ChebyHi,P.Smoother.Order,FineOpF),
ADEF2F(FineOpF,PickSmootherF(),PickCoarseSolve(),PickCoarseSolve(),C.MrhsProjectorL1,C.Deflator,C.CMrhs,C.GridsF.FrbGridF),
PreconSeam(ADEF2F,C.FrbGrid,C.GridsF.FrbGridF,nr),
Outer(P.Outer.Tol,P.Outer.MaxIt,FineOp,
(P.Setup.FinePrecision==MGPrecision::fp32)
? static_cast<MrhsPreconditioner<FineField>&>(PreconSeam)
: static_cast<MrhsPreconditioner<FineField>&>(ADEF2),
C.FrbGrid,
(P.Outer.Algorithm==HDCGOuterAlgorithm::PrecBlockCGrQ) ? MrhsCGAlgorithm::PrecBlockCGrQ : MrhsCGAlgorithm::fPcg)
{
// BlockCGrQ assumes a stationary preconditioner: the fixed-iteration CG
// smoother is fixed WORK but a nonlinear map, and a coarse CG solved to a
// tolerance is not stationary either. Chebyshev on both is.
if ( Params.Outer.Algorithm==HDCGOuterAlgorithm::PrecBlockCGrQ &&
( Params.CoarseSolver.Method!=HDCGCoarseMethod::Chebyshev ||
Params.Smoother.Type !=HDCGSmootherType::Chebyshev ) )
std::cout << GridLogWarning << "HDCGSolver: PrecBlockCGrQ with a non-stationary preconditioner "
<< "(needs Smoother.Type Chebyshev AND CoarseSolver.Method Chebyshev); expect stagnation"
<< std::endl;
std::cout << GridLogMessage << "HDCGSolver: Nrhs " << nr
<< ", operator shift " << shift
<< ", smoother " << (Params.Smoother.Type==HDCGSmootherType::CG ? "CG" : "Chebyshev")
<< " order " << Params.Smoother.Order
<< ", coarse " << (Params.CoarseSolver.Method==HDCGCoarseMethod::DeflatedCG ? "deflated CG" : "Chebyshev")
<< " (deflation vectors " << C.Deflator.nev << ")"
<< ", preconditioner fine level "
<< (Params.Setup.FinePrecision==MGPrecision::fp32 ? "fp32 (seam at the outer CG)" : "fp64")
<< ", outer " << (Params.Outer.Algorithm==HDCGOuterAlgorithm::PrecBlockCGrQ ? "PrecBlockCGrQ" : "fPcg")
<< " EXACT fp64" << std::endl;
}
// One right-hand side through the LinearFunction interface (nrhs must be 1)
void Solve(const FineField &src, FineField &sol)
{
GRID_ASSERT( nrhs == 1 );
sol.Checkerboard() = src.Checkerboard();
GridStopWatch w; w.Start();
Outer(src,sol);
w.Stop();
FineField Ax(src.Grid()); Ax.Checkerboard()=src.Checkerboard();
FineOp.HermOp(sol,Ax);
Ax=Ax-src;
std::cout << GridLogMessage << "HDCGSolver: single rhs total " << w.Elapsed()
<< "; FINAL Nrhs 1 (LinearFunction): true residual = " << std::sqrt(norm2(Ax)/norm2(src)) << std::endl;
}
void Solve(std::vector<FineField> &src, std::vector<FineField> &sol)
{
GRID_ASSERT( (int)src.size() == nrhs );
for(int r=0;r<nrhs;r++) sol[r].Checkerboard() = src[r].Checkerboard();
MemoryManager::EvictAll();
MemoryManager::DropCache();
GridStopWatch w; w.Start();
Outer(src,sol);
w.Stop();
std::cout << GridLogMessage << "HDCGSolver: Nrhs "<<nrhs<<" total " << w.Elapsed()
<< " (per RHS: " << w.useconds()/1.0e6/nrhs << " s)" << std::endl;
{
FineField Ax(src[0].Grid()); Ax.Checkerboard()=src[0].Checkerboard();
RealD worst=0.0;
for(int r=0;r<nrhs;r++){
FineOp.HermOp(sol[r],Ax);
Ax=Ax-src[r];
RealD rn=std::sqrt(norm2(Ax)/norm2(src[r]));
std::cout << GridLogMessage << "FINAL Nrhs "<<nrhs<<": rhs["<<r<<"] true residual = " << rn << std::endl;
worst=std::max(worst,rn);
}
std::cout << GridLogMessage << "FINAL Nrhs "<<nrhs<<": worst-case residual = " << worst << std::endl;
}
}
};
//////////////////////////////////////////////////////////////////////
// HDCG refinement of the basis (the paper's loop): coarsen the SHIFTED
// operator, deflate it, solve each raw basis vector on it with a
// short-tolerance HDCG, keep the normalised solutions. A no-op unless
// Subspace.Refine is HDCG and no refined basis was loaded. The caller
// then coarsens the unshifted operator as usual.
//////////////////////////////////////////////////////////////////////
template<class Matrix,class MatrixF,class Coarsening>
void HDCGRefineSubspace(Coarsening &C, Matrix &Ddwf, MatrixF &DdwfF,
LinearOperatorBase<typename Coarsening::FineField> &HermOp, int nr)
{
typedef typename Coarsening::FineField FineField;
const HDCGSubspaceParams &S = C.Params.Subspace;
if ( S.Refine != HDCGRefineMethod::HDCG ) return;
if ( C.FileExists(S.RefinedSubspaceFile) ) return;
std::cout << GridLogMessage << "HDCGRefineSubspace: shift " << S.RefineShift << " tol " << S.RefineTol
<< " maxit " << S.RefineMaxIt << " smoother order " << S.RefineSmootherOrder << std::endl;
ShiftedHermOpLinearOperator<FineField> Shifted(HermOp,S.RefineShift);
HermOpAdaptor<FineField> ShiftedOp(Shifted);
C.Coarsen(ShiftedOp,1); // refinement below still needs the RAW basis
C.CoarseLanczos(nr);
HDCGMultiGridParams PR = C.Params;
PR.Outer.Tol = S.RefineTol;
PR.Outer.MaxIt = S.RefineMaxIt;
PR.Smoother.Order = S.RefineSmootherOrder;
HDCGSolver<Matrix,MatrixF,Coarsening> Refiner(Ddwf,DdwfF,C,PR,nr,S.RefineShift);
C.RefineSubspaceHDCG(HermOp,Refiner.Outer,nr);
if ( S.RefinedSubspaceFile.length() )
saveSubspace(C.rawNull, S.RefinedSubspaceFile, S.FileControl);
}
NAMESPACE_END(Grid);
@@ -1,177 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./Grid/algorithms/multigrid/HDCGMultiGridParams.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
//////////////////////////////////////////////////////////////////////////////////////
// Parameters of the two-level mrhs HDCG (Hermitian, Schur-preconditioned)
// multigrid, HDCGMultiGrid.h. Serialisable: read from XML, template written
// on a missing file. Setup (blocking, batch, basis file, fine precision) is
// the same struct as the PVdagM chain's; Block2 is only used when a
// coarse-coarse level exists but must still divide the coarse lattice.
//////////////////////////////////////////////////////////////////////////////////////
GRID_SERIALIZABLE_ENUM(HDCGSubspaceMethod, undef, ChebyshevNew, 1, Chebyshev, 2, FineEvecs, 3);
GRID_SERIALIZABLE_ENUM(HDCGRefineMethod, undef, None, 1, CG, 2, HDCG, 3);
GRID_SERIALIZABLE_ENUM(HDCGLanczosMethod, undef, None, 1, Block, 2, Plain, 3);
GRID_SERIALIZABLE_ENUM(HDCGCoarseMethod, undef, DeflatedCG, 1, Chebyshev, 2);
GRID_SERIALIZABLE_ENUM(HDCGSmootherType, undef, CG, 1, Chebyshev, 2);
GRID_SERIALIZABLE_ENUM(HDCGOuterAlgorithm, undef, fPcg, 1, PrecBlockCGrQ, 2);
// Near-null basis. ChebyshevNew filters noise through the Hermitian operator
// with the upper bound only; Chebyshev takes lo/hi/order; FineEvecs sums
// FineEvecSample consecutive fp32 fine eigenvector records per basis vector.
// A ChebyHi <= 0 means 1.1 x the power-method estimate. FileControl is the
// scidac binary-IO control word of the basis files (0 for pre-2026 HDCG files).
struct HDCGSubspaceParams : Serializable {
GRID_SERIALIZABLE_CLASS_MEMBERS(HDCGSubspaceParams,
HDCGSubspaceMethod, Method,
RealD, ChebyHi,
RealD, ChebyLo,
int, ChebyOrder,
std::string, FineEvecFile,
int, FineEvecSample,
int, FileControl,
HDCGRefineMethod, Refine,
RealD, RefineShift, // CG: the shift of the refining CG; HDCG: of the refining operator
RealD, RefineTol,
int, RefineMaxIt,
int, RefineSmootherOrder, // HDCG refine only
std::string, RefinedSubspaceFile);
HDCGSubspaceParams()
: Method(HDCGSubspaceMethod::ChebyshevNew), ChebyHi(0.0), ChebyLo(0.01), ChebyOrder(500),
FineEvecFile(""), FineEvecSample(1),
FileControl(BinaryIO::BINARYIO_LEXICOGRAPHIC|BinaryIO::BINARYIO_AGGREGATE),
Refine(HDCGRefineMethod::None), RefineShift(1.0e-3), RefineTol(1.0e-3), RefineMaxIt(500),
RefineSmootherOrder(11), RefinedSubspaceFile("") {};
};
// Coarse eigenvectors for the deflated coarse solve: block Lanczos at the
// solve's Nrhs, or plain Lanczos at Nrhs 1, on the same coarse operator.
// ChebyHi <= 0 means 1.1 x the power-method estimate on the coarse operator.
struct HDCGLanczosParams : Serializable {
GRID_SERIALIZABLE_CLASS_MEMBERS(HDCGLanczosParams,
HDCGLanczosMethod, Method,
int, Nstop,
int, Nk,
int, Nm,
RealD, ChebyLo,
RealD, ChebyHi,
int, ChebyOrder,
RealD, Tol,
int, MaxIt,
std::string, EvecFile);
HDCGLanczosParams()
: Method(HDCGLanczosMethod::Block), Nstop(32), Nk(32), Nm(128),
ChebyLo(0.01), ChebyHi(0.0), ChebyOrder(201), Tol(1.0e-4), MaxIt(100), EvecFile("") {};
};
struct HDCGCoarseSolverParams : Serializable {
GRID_SERIALIZABLE_CLASS_MEMBERS(HDCGCoarseSolverParams,
HDCGCoarseMethod, Method,
RealD, Tol, // DeflatedCG
int, MaxIt,
RealD, ChebyLo, // Chebyshev polynomial inverse
RealD, ChebyHi,
int, ChebyOrder);
HDCGCoarseSolverParams()
: Method(HDCGCoarseMethod::DeflatedCG), Tol(5.0e-2), MaxIt(3000),
ChebyLo(1.0e-2), ChebyHi(40.0), ChebyOrder(120) {};
};
// CG: Order iterations of CG on the operator shifted by Shift.
// Chebyshev: order Order polynomial on [ChebyLo,ChebyHi] of the unshifted operator.
struct HDCGSmootherParams : Serializable {
GRID_SERIALIZABLE_CLASS_MEMBERS(HDCGSmootherParams,
HDCGSmootherType, Type,
RealD, Shift,
int, Order,
RealD, ChebyLo,
RealD, ChebyHi);
HDCGSmootherParams() : Type(HDCGSmootherType::CG), Shift(2.0), Order(7), ChebyLo(2.0), ChebyHi(92.0) {};
};
struct HDCGOuterParams : Serializable {
GRID_SERIALIZABLE_CLASS_MEMBERS(HDCGOuterParams,
RealD, Tol,
int, MaxIt,
HDCGOuterAlgorithm, Algorithm);
HDCGOuterParams() : Tol(1.0e-8), MaxIt(500), Algorithm(HDCGOuterAlgorithm::fPcg) {};
};
struct HDCGMultiGridParams : Serializable {
GRID_SERIALIZABLE_CLASS_MEMBERS(HDCGMultiGridParams,
MGSetupParams, Setup,
HDCGSubspaceParams, Subspace,
HDCGLanczosParams, Lanczos,
HDCGCoarseSolverParams, CoarseSolver,
HDCGSmootherParams, Smoother,
HDCGOuterParams, Outer);
HDCGMultiGridParams() {};
};
inline void CheckValidity(const HDCGMultiGridParams &P)
{
GRID_ASSERT( P.Setup.Block1.size() == 4 );
GRID_ASSERT( P.Setup.Block2.size() == 4 );
GRID_ASSERT( P.Setup.CoarsenBatch >= 1 );
GRID_ASSERT( P.Setup.FinePrecision != MGPrecision::undef );
GRID_ASSERT( P.Subspace.Method != HDCGSubspaceMethod::undef );
GRID_ASSERT( P.Subspace.Refine != HDCGRefineMethod::undef );
GRID_ASSERT( P.Subspace.FineEvecSample >= 1 );
GRID_ASSERT( P.Lanczos.Method != HDCGLanczosMethod::undef );
GRID_ASSERT( P.Lanczos.Nstop <= P.Lanczos.Nk && P.Lanczos.Nk <= P.Lanczos.Nm );
GRID_ASSERT( P.CoarseSolver.Method != HDCGCoarseMethod::undef );
GRID_ASSERT( P.CoarseSolver.Tol > 0.0 );
GRID_ASSERT( P.Smoother.Type != HDCGSmootherType::undef );
GRID_ASSERT( P.Smoother.Order > 0 );
GRID_ASSERT( P.Outer.Tol > 0.0 );
GRID_ASSERT( P.Outer.Algorithm != HDCGOuterAlgorithm::undef );
}
// As ReadPVdagMMultiGridParams: a missing file gets a template written next
// to it and false returned; an empty filename means defaults.
inline bool ReadHDCGMultiGridParams(HDCGMultiGridParams &P, const std::string &xmlfile)
{
if ( xmlfile.length() ) {
bool good;
{ std::ifstream f(xmlfile); good = f.good(); }
if ( !good ) {
std::cout << GridLogMessage << "HDCGMultiGridParams: " << xmlfile << " does not exist" << std::endl;
if ( GlobalSharedMemory::WorldRank == 0 ) {
XmlWriter WR(xmlfile+".templ");
write(WR, "HDCGMultiGridParams", P);
std::cout << GridLogMessage << "HDCGMultiGridParams: template written to "
<< xmlfile << ".templ" << std::endl;
}
return false;
}
XmlReader RD(xmlfile);
read(RD, "HDCGMultiGridParams", P);
}
CheckValidity(P);
std::cout << GridLogMessage << "HDCGMultiGridParams ("
<< (xmlfile.length() ? xmlfile : std::string("defaults")) << "):" << std::endl;
std::cout << P << std::endl;
return true;
}
NAMESPACE_END(Grid);
-433
View File
@@ -1,433 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./Grid/algorithms/multigrid/MrhsMultiGrid.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/deflation/MultiRHSBlockProject.h>
#include <Grid/algorithms/multigrid/MrhsPreconditioner.h>
NAMESPACE_BEGIN(Grid);
//////////////////////////////////////////////////////////////////////
// Single-polynomial mrhs PGCR: one step length and one set of
// orthogonalisation coefficients SHARED across the right-hand sides
// (vnorm2/vinnerProduct sum over rhs). For DWF the dense spectrum
// makes sharing near-free and the summed reductions amortise; see the
// mrhs-HDCG paper (arXiv:2409.03904). Orthogonalisation is classical
// Gram-Schmidt, batched per rhs (rankInnerProductMulti/axpyMulti) with
// ONE GlobalSumVector for all coefficients.
//
// OnStep is a programmatic per-step hook for algorithmic studies
// (e.g. driving the GCR coefficient recorder); it is not a consumer
// parameter.
//////////////////////////////////////////////////////////////////////
template<class Field>
class MrhsPGCRNonHermitian {
public:
RealD Tolerance; Integer MaxIterations; int mmax,nstep,steps,level;
int ZeroGuess = 0; int FirstCycle = 0;
std::string name = "Level 1";
// Trace range names carry the instance name, so a profile separates the
// solvers that otherwise nest as one shared range.
std::string trace_op = "MrhsPGCR::vOp", trace_orthog = "MrhsPGCR orthog";
LinearOperatorBase<Field> &Linop;
MrhsLinearFunction<Field> &Preconditioner;
std::function<void(int)> OnStep; // called with the outer step count after every step
void Level(int lv){
name = "Level " + std::to_string(lv);
level=lv;
}
void Name(std::string n){
name = n;
trace_op = name+" MrhsPGCR::vOp";
trace_orthog = name+" MrhsPGCR orthog";
}
void SetZeroGuess(int z)
{
ZeroGuess=z;
}
MrhsPGCRNonHermitian(RealD tol,Integer maxit,LinearOperatorBase<Field> &_Linop,MrhsLinearFunction<Field> &Prec,int _mmax,int _nstep)
: Tolerance(tol),MaxIterations(maxit),Linop(_Linop),Preconditioner(Prec),mmax(_mmax),nstep(_nstep)
{
level=1;
}
static RealD vnorm2(std::vector<Field> &x)
{
RealD s=0;
for(auto &f:x) s+=norm2(f);
return s;
}
static ComplexD vinnerProduct(std::vector<Field> &x,std::vector<Field> &y){
ComplexD s(0);
for(int r=0;r<(int)x.size();r++) {
s+=innerProduct(x[r],y[r]);
}
return s;
}
static void vaxpy(std::vector<Field> &z,ComplexD a,std::vector<Field> &x,std::vector<Field> &y)
{
for(int r=0;r<(int)z.size();r++) {
axpy(z[r],a,x[r],y[r]);
}
}
void vOp(std::vector<Field> &in,std::vector<Field> &out)
{
GRID_TRACE(trace_op.c_str());
for(int r=0;r<(int)in.size();r++) {
Linop.Op(in[r],out[r]);
}
}
void operator()(std::vector<Field> &src,std::vector<Field> &psi){
RealD cp,ssq,rsq;
int nrhs=src.size();
GridBase *grid=src[0].Grid();
ssq=vnorm2(src);
rsq=Tolerance*Tolerance*ssq;
std::vector<Field> r(nrhs,grid);
GridStopWatch T;
T.Start();
steps=0;
FirstCycle=1;
for(int k=0;k<MaxIterations;k++){
cp=GCRnStep(src,psi,rsq);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR("<<mmax<<","<<nstep<<") "<<steps
<<" steps cp = "<<cp<<" target "<<rsq<<std::endl;
if(cp<rsq){
T.Stop(); vOp(psi,r); for(int rr=0;rr<nrhs;rr++) axpy(r[rr],-1.0,src[rr],r[rr]);
RealD tr=vnorm2(r);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR: Converged on iteration "<<steps
<<" computed residual "<<std::sqrt(cp/ssq)<<" true residual "<<std::sqrt(tr/ssq)<<" target "<<Tolerance<<std::endl;
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR Time elapsed: Total "<<T.Elapsed()<<std::endl;
return;
}
}
std::cout<<GridLogMessage<<"MrhsPGCR: did not converge"<<std::endl;
}
RealD GCRnStep(std::vector<Field> &src,std::vector<Field> &psi,RealD rsq)
{
RealD cp;
ComplexD a,rq;
int nrhs=src.size();
GridBase *grid=src[0].Grid();
std::vector<Field> r(nrhs,grid),Az(nrhs,grid); // Az: restart residual scratch only
std::vector< std::vector<Field> > q(mmax,std::vector<Field>(nrhs,grid));
std::vector< std::vector<Field> > p(mmax,std::vector<Field>(nrhs,grid));
std::vector<RealD> qq(mmax);
if (ZeroGuess && FirstCycle) {
for(int rr=0;rr<nrhs;rr++){
psi[rr]=Zero();
r[rr]=src[rr];
}
} else {
vOp(psi,Az);
for(int rr=0;rr<nrhs;rr++) {
r[rr]=src[rr]-Az[rr];
}
}
FirstCycle=0;
// p[0]=Prec(r), q[0]=A p[0], produced directly in the history slots (no copies)
Preconditioner(r,p[0]);
vOp(p[0],q[0]);
qq[0]=vnorm2(q[0]);
cp=vnorm2(r);
for(int k=0;k<nstep;k++){
steps++;
int kp=k+1, peri_k=k%mmax, peri_kp=kp%mmax;
if ( OnStep ) OnStep(steps);
rq=vinnerProduct(q[peri_k],r);
a=rq/qq[peri_k];
vaxpy(psi,a,p[peri_k],psi);
vaxpy(r,-a,q[peri_k],r);
cp=vnorm2(r);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR step["<<steps<<"] resid "<<cp<<" target "<<rsq<<std::endl;
if((k==nstep-1)||(cp<rsq)) return cp;
// New direction straight into its history slot: p=Prec(r), q=A p.
Preconditioner(r,p[peri_kp]);
vOp(p[peri_kp],q[peri_kp]);
int northog=((kp)>(mmax-1))?(mmax-1):(kp);
{
GRID_TRACE(trace_orthog.c_str());
// Classical Gram-Schmidt: all coefficients against the UN-updated new q
// (independent, batchable), then apply. Complex coefficient: the
// operator is non-Hermitian, real(<q_j,Aq>) alone left q's non-orthogonal.
// Batched per rhs (one fused kernel + one reduction each), the shared
// coefficient summed over rhs on the host, ONE GlobalSumVector.
std::vector<ComplexD> bcoef(northog,ComplexD(0.0)), part;
for(int rr=0;rr<nrhs;rr++){
std::vector<const Field*> qwin(northog);
for(int back=0;back<northog;back++){
int peri_back=(k-back)%mmax;
GRID_ASSERT((k-back)>=0);
qwin[back]=&q[peri_back][rr];
}
rankInnerProductMulti(part,qwin,q[peri_kp][rr]);
for(int back=0;back<northog;back++) bcoef[back]+=part[back];
}
if(northog) grid->GlobalSumVector(&bcoef[0],northog);
for(int back=0;back<northog;back++){
int peri_back=(k-back)%mmax;
bcoef[back]=-bcoef[back]/qq[peri_back];
}
for(int rr=0;rr<nrhs;rr++){
std::vector<const Field*> qwin(northog), pwin(northog);
for(int back=0;back<northog;back++){
int peri_back=(k-back)%mmax;
qwin[back]=&q[peri_back][rr];
pwin[back]=&p[peri_back][rr];
}
axpyMulti(p[peri_kp][rr],bcoef,pwin);
axpyMulti(q[peri_kp][rr],bcoef,qwin);
}
}
qq[peri_kp]=vnorm2(q[peri_kp]);
}
GRID_ASSERT(0); return cp;
}
};
//////////////////////////////////////////////////////////////////////
// Dense L3 solve on the packed D+1 coarse-coarse field. Adapts any
// class exposing ApplyBatch6D (DenseCoarseMatrix) to a LinearFunction.
//////////////////////////////////////////////////////////////////////
template<class DenseType, class CoarseCoarseField>
class MrhsDenseCCSolve : public LinearFunction<CoarseCoarseField> {
public:
DenseType &_Dense;
int _nrhs;
MrhsDenseCCSolve(DenseType &D, int nrhs) : _Dense(D), _nrhs(nrhs) {}
using LinearFunction<CoarseCoarseField>::operator();
virtual void operator()(const CoarseCoarseField &in, CoarseCoarseField &out){
_Dense.ApplyBatch6D(in, out, _nrhs);
}
};
//////////////////////////////////////////////////////////////////////
// L2->L3 half V-cycle on the D+1 coarse field: coarse-coarse correction
// through the mixed blockProject, then post-smooth.
//////////////////////////////////////////////////////////////////////
template<class CoarseField, class CoarseCoarseField>
class MrhsCoarseThreeLevelPrec : public LinearFunction<CoarseField> {
public:
LinearOperatorBase<CoarseField> &_CoarseOp;
LinearFunction<CoarseField> &_CoarseSmoother;
MultiRHSBlockProject<CoarseField> &_Projector;
LinearFunction<CoarseCoarseField> &_CoarseCoarseSolve;
GridBase *_Coarse5d, *_CoarseCoarse5d, *_CoarseCoarseMrhs;
int _nrhs;
MrhsCoarseThreeLevelPrec(LinearOperatorBase<CoarseField> &CoarseOp,
LinearFunction<CoarseField> &CoarseSmoother,
MultiRHSBlockProject<CoarseField> &Projector,
LinearFunction<CoarseCoarseField> &CoarseCoarseSolve,
GridBase *Coarse5d, GridBase *CoarseCoarse5d, GridBase *CoarseCoarseMrhs, int nrhs)
: _CoarseOp(CoarseOp), _CoarseSmoother(CoarseSmoother), _Projector(Projector),
_CoarseCoarseSolve(CoarseCoarseSolve),
_Coarse5d(Coarse5d), _CoarseCoarse5d(CoarseCoarse5d), _CoarseCoarseMrhs(CoarseCoarseMrhs), _nrhs(nrhs) {}
using LinearFunction<CoarseField>::operator();
virtual void operator()(const CoarseField &in, CoarseField &out) {
GRID_TRACE("MGCoarseVcycle");
CoarseField vec1(in.Grid());
CoarseField vec2(in.Grid());
CoarseCoarseField CCsrc(_CoarseCoarseMrhs);
CoarseCoarseField CCsol(_CoarseCoarseMrhs);
// The cycle starts from x0 = in, one unit-step Richardson iteration ahead of
// a zero start; measured, it pays for its apply by cutting Couter steps 22%.
// x0 is never materialised in out: the operator is applied to in directly and
// the copy folds into the add that lands the coarse-coarse correction.
{
GRID_TRACE("MGCoarseResidual");
_CoarseOp.Op(in,vec1); sub(vec1,in,vec1);
}
// restrict, through the mixed blockProject: D+1 coarse in, D+1 cc out
{
GRID_TRACE("MGCCProject");
_Projector.blockProject(vec1,CCsrc);
}
{
GRID_TRACE("MGCCSolve");
_CoarseCoarseSolve(CCsrc,CCsol);
}
{
GRID_TRACE("MGCCPromote");
_Projector.blockPromote(vec1,CCsol);
add(out,in,vec1);
}
{
GRID_TRACE("MGCoarseResidual2");
_CoarseOp.Op(out,vec1); sub(vec1,in,vec1);
}
{
GRID_TRACE("MGCoarseSmooth");
_CoarseSmoother(vec1,vec2);
add(out,out,vec2);
}
}
};
//////////////////////////////////////////////////////////////////////
// L1->L2 mrhs V-cycle. The whole V-cycle is preconditioner: its fine
// residuals and the smoother may run with sloppy halos; the caller
// (the outer Krylov) gets the exact operator back on exit. SetSloppy
// is wired by the composer to PVdagMLinearOperator::SloppyComms (a
// no-op by default), replacing the file-scope global the example used.
//////////////////////////////////////////////////////////////////////
// Projector_t defaults to a transfer operator whose STORE matches FineField,
// which is the case whenever the coarse sector and the fine level share a
// precision; pass it explicitly when they differ.
template<class FineField, class MrhsCoarseVector, class FineSmoother,
class Projector_t = MultiRHSBlockProject<FineField> >
class MrhsTwoLevelMG : public MrhsPreconditioner<FineField> {
public:
typedef MrhsCoarseVector CoarseVector;
LinearOperatorBase<FineField> &_FineOperator;
FineSmoother &_PostSmoother;
Projector_t &_Projector; // store precision need not match FineField
LinearFunction<CoarseVector> &_CoarseSolve;
GridBase *_CoarseGrid, *_CoarseGridMrhs;
std::function<void(int)> SetSloppy = [](int){};
int SloppyComms = 0; // value passed to SetSloppy on entry
MrhsTwoLevelMG(LinearOperatorBase<FineField> &FineOp, FineSmoother &Post,
Projector_t &Projector, LinearFunction<CoarseVector> &CoarseSolve,
GridBase *CoarseGrid, GridBase *CoarseGridMrhs)
: _FineOperator(FineOp),_PostSmoother(Post),_Projector(Projector),_CoarseSolve(CoarseSolve),
_CoarseGrid(CoarseGrid),_CoarseGridMrhs(CoarseGridMrhs){}
virtual void operator()(std::vector<FineField> &in, std::vector<FineField> &out)
{
GRID_TRACE("MGVcycle");
SetSloppy(SloppyComms);
int nrhs=in.size(); GridBase *fgrid=in[0].Grid();
std::vector<FineField> vec1(nrhs,fgrid),vec2(nrhs,fgrid);
// x0 = in, never materialised in out: the operator is applied to in directly
// and the copy folds into the add that lands the coarse correction.
{
GRID_TRACE("MGFineResidual");
for(int r=0;r<nrhs;r++){ _FineOperator.Op(in[r],vec1[r]); sub(vec1[r],in[r],vec1[r]); }
}
// fine vector -> D+1 coarse, via the mixed blockProject
CoarseVector CsrcMrhs(_CoarseGridMrhs), CsolMrhs(_CoarseGridMrhs);
{
GRID_TRACE("MGProject");
_Projector.blockProject(vec1,CsrcMrhs);
}
CsolMrhs=Zero();
{
GRID_TRACE("MGCoarseSolve");
_CoarseSolve(CsrcMrhs,CsolMrhs);
}
{
GRID_TRACE("MGPromote");
_Projector.blockPromote(vec1,CsolMrhs);
for(int r=0;r<nrhs;r++) add(out[r],in[r],vec1[r]);
}
{
GRID_TRACE("MGFineResidual2");
for(int r=0;r<nrhs;r++){ _FineOperator.Op(out[r],vec1[r]); sub(vec1[r],in[r],vec1[r]); }
}
{
GRID_TRACE("MGPostSmooth");
for(int r=0;r<nrhs;r++){
_PostSmoother(vec1[r],vec2[r]); add(out[r],out[r],vec2[r]);
}
}
SetSloppy(0);
}
};
//////////////////////////////////////////////////////////////////////
// The fp64/fp32 seam of the solve chain. The outer Krylov hands fp64
// residuals to its preconditioner; this adapter converts them to fp32,
// runs an fp32 preconditioner (the whole V-cycle), and converts the
// correction back. Two precisionChange per outer step per rhs, on
// workspaces built once. The outer operator never sees fp32.
//
// The fp32 scratch is allocated ON FIRST USE, not in the constructor: the
// solver builds this seam whichever precision is selected, and at Nrhs 12
// on a 48^3x96 Ls=24 rank the scratch is 2 GB of device memory. A seam
// that is never called must cost nothing. Same idiom as the GCR history
// vectors: re-made only if the grid or the rhs count changes.
//////////////////////////////////////////////////////////////////////
template<class FieldD, class FieldF>
class MrhsMixedPrecPreconditioner : public MrhsPreconditioner<FieldD> {
public:
MrhsPreconditioner<FieldF> &_Inner;
precisionChangeWorkspace _ws_d2f; // out fp32, in fp64
precisionChangeWorkspace _ws_f2d; // out fp64, in fp32
GridBase *_gridF;
std::vector<FieldF> _in_f, _out_f;
MrhsMixedPrecPreconditioner(MrhsPreconditioner<FieldF> &Inner, GridBase *gridD, GridBase *gridF, int nrhs)
: _Inner(Inner), _ws_d2f(gridF,gridD), _ws_f2d(gridD,gridF), _gridF(gridF) {}
void Scratch(int nrhs){
if ( (int)_in_f.size() == nrhs ) return;
_in_f.clear(); _in_f.reserve(nrhs);
_out_f.clear(); _out_f.reserve(nrhs);
for(int r=0;r<nrhs;r++){ _in_f.emplace_back(_gridF); _out_f.emplace_back(_gridF); }
}
virtual void operator()(std::vector<FieldD> &in, std::vector<FieldD> &out)
{
GRID_TRACE("MGPrecisionSeam");
int nrhs=in.size(); Scratch(nrhs);
for(int r=0;r<nrhs;r++) precisionChange(_in_f[r],in[r],_ws_d2f);
_Inner(_in_f,_out_f);
for(int r=0;r<nrhs;r++) precisionChange(out[r],_out_f[r],_ws_f2d);
}
// The start and the timers are the inner preconditioner's
virtual void Vstart(std::vector<FieldD> &x, std::vector<FieldD> &src)
{
GRID_TRACE("MGPrecisionSeamVstart");
int nrhs=src.size(); Scratch(nrhs);
for(int r=0;r<nrhs;r++) precisionChange(_in_f[r],src[r],_ws_d2f);
_Inner.Vstart(_out_f,_in_f);
for(int r=0;r<nrhs;r++) precisionChange(x[r],_out_f[r],_ws_f2d);
}
virtual void ResetTimers(void) { _Inner.ResetTimers(); }
virtual void ReportTimers(const std::string &prefix) { _Inner.ReportTimers(prefix); }
};
NAMESPACE_END(Grid);
@@ -1,73 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./Grid/algorithms/multigrid/MrhsPreconditioner.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
//////////////////////////////////////////////////////////////////////
// The mrhs interfaces. This header is in the Algorithms.h include
// chain (AdefMrhs.h needs it); the concrete mrhs classes are in
// MrhsMultiGrid.h, reached through PVdagMMultiGrid.h / HDCGMultiGrid.h.
//
// MrhsLinearFunction: vector-of-fields in, vector out. The outer level
// carries mrhs as std::vector<Field>; below it mrhs is PACKED into a
// single D+1 field (rhs = dim 0) and the coarse classes are plain
// LinearFunctions on that.
//////////////////////////////////////////////////////////////////////
template<class Field>
class MrhsLinearFunction {
public:
virtual void operator()(std::vector<Field> &in, std::vector<Field> &out) = 0;
virtual ~MrhsLinearFunction(){};
};
//////////////////////////////////////////////////////////////////////
// An mrhs preconditioner for the two-level CG family (AdefMrhs.h):
// operator() is M1; Vstart chooses x_0 from the source (Tang's ADEF-2
// start x_0 = Q b; the default is the zero start). The timers are the
// M1 breakdown the outer solver reports.
//////////////////////////////////////////////////////////////////////
template<class Field>
class MrhsPreconditioner : public MrhsLinearFunction<Field> {
public:
GridStopWatch ProjectTimer, PromoteTimer, DeflateTimer, CoarseTimer, FineTimer, SmoothTimer;
virtual void Vstart(std::vector<Field> &x, std::vector<Field> &src)
{
for(int r=0;r<(int)x.size();r++) x[r] = Zero();
}
virtual void ResetTimers(void)
{
ProjectTimer.Reset(); PromoteTimer.Reset(); DeflateTimer.Reset();
CoarseTimer.Reset(); FineTimer.Reset(); SmoothTimer.Reset();
}
virtual void ReportTimers(const std::string &prefix)
{
std::cout<<GridLogMessage<<"**** M1 breakdown:"<<std::endl;
std::cout<<GridLogMessage<<prefix<<"Project "<<ProjectTimer.Elapsed()<<std::endl;
std::cout<<GridLogMessage<<prefix<<"Promote "<<PromoteTimer.Elapsed()<<std::endl;
std::cout<<GridLogMessage<<prefix<<"Deflate "<<DeflateTimer.Elapsed()<<std::endl;
std::cout<<GridLogMessage<<prefix<<"Coarse "<<CoarseTimer.Elapsed()<<std::endl;
std::cout<<GridLogMessage<<prefix<<"Fine "<<FineTimer.Elapsed()<<std::endl;
std::cout<<GridLogMessage<<prefix<<"Smooth "<<SmoothTimer.Elapsed()<<std::endl;
}
virtual ~MrhsPreconditioner(){};
};
NAMESPACE_END(Grid);
@@ -1,161 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/multigrid/MrhsPromotedOperator.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////
// Present a D dimensional operator as a D+1 dimensional operator with Nrhs in
// dimension 0. Field type is unchanged; only the Grid differs, so this is a
// LinearOperatorBase and callers need no template parameter: a native mrhs
// operator derives from the same base and substitutes without a call site
// change.
//
// Slices in and out around the wrapped operator. No arithmetic beyond the
// wrapped call, but one ExtractSliceFast/InsertSliceFast pair per right hand
// side: data motion, not work.
//
// AdjOp is carried so that A^dag may be coarsened as a separate coarse
// operator when needed, rather than doubling coarse storage.
///////////////////////////////////////////////////////////////////////////////
template<class Field>
class MrhsPromotedOperator : public LinearOperatorBase<Field>
{
private:
LinearOperatorBase<Field> &_LinOp;
GridBase *_LowGrid;
int _Nrhs;
public:
MrhsPromotedOperator(LinearOperatorBase<Field> &LinOp,GridBase *LowGrid,int Nrhs)
: _LinOp(LinOp), _LowGrid(LowGrid), _Nrhs(Nrhs)
{
GRID_ASSERT(_Nrhs>=1);
}
GridBase *LowGrid(void) { return _LowGrid; }
int Nrhs(void) { return _Nrhs; }
// Reset on each call; retrieve and accumulate in the caller
RealD tslice;
RealD top;
void OpDiag (const Field &in, Field &out)
{
SliceLoop(in,out,[&](Field &i,Field &o){ _LinOp.OpDiag(i,o); });
}
void Op (const Field &in, Field &out)
{
SliceLoop(in,out,[&](Field &i,Field &o){ _LinOp.Op(i,o); });
}
void AdjOp (const Field &in, Field &out)
{
SliceLoop(in,out,[&](Field &i,Field &o){ _LinOp.AdjOp(i,o); });
}
void HermOp (const Field &in, Field &out)
{
SliceLoop(in,out,[&](Field &i,Field &o){ _LinOp.HermOp(i,o); });
}
void OpDir (const Field &in, Field &out,int dir,int disp)
{
SliceLoop(in,out,[&](Field &i,Field &o){ _LinOp.OpDir(i,o,dir,disp); });
}
//////////////////////////////////////////////////////////////////
// Norms of the D+1 field are the sums over slices
//////////////////////////////////////////////////////////////////
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2)
{
Conformable(in,out);
Field lo_in (_LowGrid);
Field lo_out(_LowGrid);
n1=0.0;
n2=0.0;
for(int r=0;r<_Nrhs;r++){
RealD r1,r2;
ExtractSliceFast(lo_in,in,r,0);
_LinOp.HermOpAndNorm(lo_in,lo_out,r1,r2);
InsertSliceFast(lo_out,out,r,0);
n1=n1+r1;
n2=n2+r2;
}
}
void OpDirAll(const Field &in, std::vector<Field> &out)
{
int npoint = out.size();
Field lo_in(_LowGrid);
std::vector<Field> lo_out(npoint,_LowGrid);
for(int r=0;r<_Nrhs;r++){
ExtractSliceFast(lo_in,in,r,0);
_LinOp.OpDirAll(lo_in,lo_out);
for(int p=0;p<npoint;p++){
InsertSliceFast(lo_out[p],out[p],r,0);
}
}
}
private:
void Conformable(const Field &in,const Field &out)
{
conformable(in.Grid(),out.Grid());
GRID_ASSERT(in.Grid()->_ndimension == _LowGrid->_ndimension+1);
GRID_ASSERT(in.Grid()->_fdimensions[0] == _Nrhs);
}
template<class Kernel>
void SliceLoop(const Field &in,Field &out,Kernel K)
{
Conformable(in,out);
Field lo_in (_LowGrid);
Field lo_out(_LowGrid);
tslice=0.0;
top=0.0;
for(int r=0;r<_Nrhs;r++){
tslice-=usecond();
ExtractSliceFast(lo_in,in,r,0);
tslice+=usecond();
top-=usecond();
K(lo_in,lo_out);
top+=usecond();
tslice-=usecond();
InsertSliceFast(lo_out,out,r,0);
tslice+=usecond();
}
}
};
NAMESPACE_END(Grid);
-51
View File
@@ -1,51 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: Grid/algorithms/multigrid/MultiGrid.h
Copyright (C) 2023
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/multigrid/Aggregates.h>
#include <Grid/algorithms/multigrid/Geometry.h>
#include <Grid/algorithms/multigrid/CoarsenedMatrix.h>
#include <Grid/algorithms/multigrid/GeneralCoarsenedMatrixMultiRHS.h>
// DEPRECATED: the superseded coarse operators and the Aggregation-based
// single-RHS ADEF-2. Nothing in the library uses them; the PVdagM and HDCG
// chains are on MultiGeneralCoarsenedOperator (PVdagMMultiGrid.h,
// HDCGMultiGrid.h). Kept so the pre-2026 drivers in tests/debug and
// examples still build; removing this block is the deletion gate for them.
#include <Grid/algorithms/multigrid/deprecated/GeneralCoarsenedMatrix.h>
#include <Grid/algorithms/multigrid/deprecated/GeneralCoarsenedMatrixMultiRHS.h>
#include <Grid/algorithms/multigrid/deprecated/TwoLevelADEF2.h>
#include <Grid/algorithms/multigrid/MrhsPromotedOperator.h>
#include <Grid/algorithms/multigrid/Smoothers.h>
#include <Grid/algorithms/multigrid/PVdagMMultiGridParams.h>
// PVdagMOperators.h / MrhsMultiGrid.h / PVdagMMultiGrid.h /
// DenseCoarseMatrix.h / MultiGridIO.h / HDCGMultiGrid.h are NOT in this
// umbrella: consumers include PVdagMMultiGrid.h or HDCGMultiGrid.h
// explicitly (they pull the dense stack, BLAS, and the scidac I/O, which
// is declared after Algorithms.h in Grid.h). Keeping MrhsMultiGrid.h out
// of the Algorithms.h chain also keeps its class names away from the
// pre-2026 drivers that define their own copies.
-94
View File
@@ -1,94 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./Grid/algorithms/multigrid/MultiGridIO.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
//////////////////////////////////////////////////////////////////////
// Multigrid setup I/O shared by the PVdagM and HDCG chains: a set of
// bare-vector scidac records (a near-null basis, or a set of
// eigenvectors with their eigenvalues beside them in XML).
//
// The coarse OPERATOR is not written: coarsening is cheap relative
// to producing the basis, and is redone.
//
// `control` is the scidac binary-IO control word. The library default
// is lexicographic + aggregated; pass 0 to read files written by the
// pre-2026 HDCG drivers, which used control 0.
//////////////////////////////////////////////////////////////////////
static const int MultiGridIODefaultControl = BinaryIO::BINARYIO_LEXICOGRAPHIC|BinaryIO::BINARYIO_AGGREGATE;
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname,
int control = MultiGridIODefaultControl)
{
#ifdef HAVE_LIME
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(subspace[0].Grid()->IsBoss());
SW.open(fname);
for (int k = 0; k < (int)subspace.size(); k++) {
SW.writeScidacFieldRecord(subspace[k], record, 0, control);
}
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname,
int control = MultiGridIODefaultControl)
{
#ifdef HAVE_LIME
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++) {
SR.readScidacFieldRecord(subspace[k], record, control);
}
SR.close();
#endif
}
//////////////////////////////////////////////////////////////////////
// Eigenpairs: the vectors as a subspace file, the values in
// <fname>.evals.xml. evec.size() fixes how many are read.
//////////////////////////////////////////////////////////////////////
template <class Field>
void saveEigenpairs(std::vector<Field> &evec, std::vector<RealD> &eval, std::string const fname,
int control = MultiGridIODefaultControl)
{
GRID_ASSERT(evec.size()==eval.size());
saveSubspace(evec, fname, control);
if ( evec[0].Grid()->IsBoss() ) {
XmlWriter WR(fname+".evals.xml");
write(WR,"evals",eval);
}
}
// The eigenvalue file sets the count; the vectors are allocated on grid.
template <class Field>
void loadEigenpairs(std::vector<Field> &evec, std::vector<RealD> &eval, std::string const fname,
GridBase *grid, int control = MultiGridIODefaultControl)
{
XmlReader RD(fname+".evals.xml");
read(RD,"evals",eval);
evec.clear();
evec.resize(eval.size(), Field(grid));
loadSubspace(evec, fname, control);
}
NAMESPACE_END(Grid);
-682
View File
@@ -1,682 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./Grid/algorithms/multigrid/PVdagMMultiGrid.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/multigrid/DenseCoarseMatrix.h>
#include <Grid/algorithms/multigrid/MultiGridIO.h>
#include <Grid/algorithms/multigrid/PVdagMOperators.h>
#include <Grid/algorithms/multigrid/MrhsMultiGrid.h>
NAMESPACE_BEGIN(Grid);
//////////////////////////////////////////////////////////////////////////////////////
// The three-level mrhs PVdagM multigrid, as objects:
//
// MGCoarseGrids the derived coarse grids (owned here, since
// conformability is pointer identity and someone
// must hold them; declare it BEFORE anything that
// borrows from it)
// PVdagMMultiGridCoarsening ALL the coarsening information for one gauge
// configuration: the raw near-null basis, the
// transfer operators it induces, the Galerkin
// coarse operator at each level, and the dense
// bottom inverse. Everything here is a function
// of the gauge field -- the state HMC must
// rebuild or maintain as U evolves -- and
// everything is solver-independent.
// PVdagMMultiGridSolver the solve chain composed on a borrowed
// coarsening: smoothers, coarse Krylov, V-cycle,
// outer mrhs PGCR.
//
// Scope discipline: grids outlive the coarsening outlives the solver.
//////////////////////////////////////////////////////////////////////////////////////
//////////////////////////////////////////////////////////////////////
// Subspace I/O is in MultiGridIO.h (shared with the HDCG chain).
// Loaded vectors are RAW -- deliberately NOT re-orthogonalised:
// CoarsenOperator block orthonormalises in place, and projecting a
// block-orthonormal vector onto its own block-orthonormalised
// aggregation gives e_k with the near-null content silently gone.
// GramGuard below catches that.
//////////////////////////////////////////////////////////////////////
//////////////////////////////////////////////////////////////////////
// ||<v|v> - I||_F over a set of coarse vectors. Small means the raw
// near-null content survived the projection.
//////////////////////////////////////////////////////////////////////
template<class CoarseField>
RealD GramDefect(std::vector<CoarseField> &v)
{
RealD s2=0.0;
for(int i=0;i<(int)v.size();i++){
for(int j=0;j<(int)v.size();j++){
ComplexD sij=TensorRemove(innerProduct(v[i],v[j]));
ComplexD d=sij-(i==j?ComplexD(1.0):ComplexD(0.0));
s2+=real(d)*real(d)+imag(d)*imag(d);
}
}
return std::sqrt(s2);
}
// On a leak every image collapses to the block unit e_k, the Gram becomes
// N*I, and the defect lands at (N-1)*sqrt(nbasis) -- orders above the ~0.2
// of a content-preserving projection. Trip well below that so a mis-set
// threshold costs a log line rather than the run.
template<class CoarseField>
void GramGuard(const std::string &name,std::vector<CoarseField> &v,GridBase *grid)
{
RealD defect = GramDefect(v);
RealD N = (RealD)grid->gSites();
RealD leak = (N-1.0)*std::sqrt((RealD)v.size());
RealD trip = std::sqrt(N);
std::cout << GridLogMessage << "GUARD: ||<"<<name<<"|"<<name<<"> - I||_F = " << defect
<< " (e_k leak would be " << leak << ", trip at " << trip << ")" << std::endl;
GRID_ASSERT( defect < trip );
}
//////////////////////////////////////////////////////////////////////
// The derived grids of the three-level chain, owned in one place.
// The coarse space is UNVECTORISED (sComplex scalar, simd {1,..,1});
// the 5D/6D grids are built directly so the SIMD layout is ours.
// rhs/batch is dim 0 of the 6D grids, undistributed -- no divisibility
// constraint on nrhs.
//////////////////////////////////////////////////////////////////////
class MGCoarseGrids {
public:
GridCartesian *FGrid; // borrowed
int Ls;
int batch;
Coordinate clatt; // 4d coarse lattice
Coordinate cclatt; // 4d coarse-coarse lattice
Coordinate c5simd, c5mpi; // 5D coarse simd/mpi
Coordinate cmsimd, cmmpi; // 6D coarse simd/mpi
// owned:
GridCartesian *Coarse5d;
GridCartesian *CoarseBatch; // 6D at the coarsening batch
GridCartesian *CoarseCoarse5d;
GridCartesian *CoarseCoarseBatch;
MGCoarseGrids(GridCartesian *_FGrid, const MGSetupParams &P)
: FGrid(_FGrid)
{
Coordinate fdims = FGrid->FullDimensions(); // {Ls, x,y,z,t}
Coordinate fmpi = FGrid->_processors;
GRID_ASSERT( fdims.size() == 5 );
Ls = fdims[0];
batch = P.CoarsenBatch;
clatt.resize(4); cclatt.resize(4);
for(int d=0;d<4;d++){
GRID_ASSERT( fdims[d+1] % P.Block1[d] == 0 );
clatt[d] = fdims[d+1] / P.Block1[d];
}
for(int d=0;d<4;d++){
GRID_ASSERT( clatt[d] % P.Block2[d] == 0 );
cclatt[d] = clatt[d] / P.Block2[d];
}
std::cout << GridLogMessage << "MGCoarseGrids: Block1 " << P.Block1 << " coarse lattice " << clatt << std::endl;
std::cout << GridLogMessage << "MGCoarseGrids: Block2 " << P.Block2 << " coarse-coarse lattice " << cclatt << std::endl;
Coordinate c5latt({1,clatt[0],clatt[1],clatt[2],clatt[3]});
c5simd = Coordinate({1,1,1,1,1});
c5mpi = Coordinate({1,fmpi[1],fmpi[2],fmpi[3],fmpi[4]});
Coarse5d = new GridCartesian(c5latt,c5simd,c5mpi);
cmsimd = Coordinate({1,1,1,1,1,1});
cmmpi = Coordinate({1,1,fmpi[1],fmpi[2],fmpi[3],fmpi[4]});
Coordinate cblatt({batch,1,clatt[0],clatt[1],clatt[2],clatt[3]});
CoarseBatch = new GridCartesian(cblatt,cmsimd,cmmpi);
Coordinate cc5latt({1,cclatt[0],cclatt[1],cclatt[2],cclatt[3]});
CoarseCoarse5d = new GridCartesian(cc5latt,c5simd,c5mpi);
Coordinate ccblatt({batch,1,cclatt[0],cclatt[1],cclatt[2],cclatt[3]});
CoarseCoarseBatch = new GridCartesian(ccblatt,cmsimd,cmmpi);
}
~MGCoarseGrids()
{
delete CoarseCoarseBatch;
delete CoarseCoarse5d;
delete CoarseBatch;
delete Coarse5d;
}
};
//////////////////////////////////////////////////////////////////////
// The fp32 fine grids: same lattice and decomposition as the fp64 fine
// grid, vComplexF SIMD layout. For the fp32 fine level inside the
// preconditioner (the fp32 fermion operators and the fp32 transfer
// operator borrow these). Owned here; declare BEFORE the coarsening.
//////////////////////////////////////////////////////////////////////
class MGFineGridsF {
public:
GridCartesian *UGridF;
GridRedBlackCartesian *UrbGridF;
GridCartesian *FGridF;
GridRedBlackCartesian *FrbGridF;
MGFineGridsF(GridCartesian *FGrid)
{
Coordinate fdims = FGrid->FullDimensions(); // {Ls, x,y,z,t}
Coordinate fmpi = FGrid->_processors;
GRID_ASSERT( fdims.size() == 5 );
int Ls = fdims[0];
Coordinate latt4({fdims[1],fdims[2],fdims[3],fdims[4]});
Coordinate mpi4 ({fmpi[1], fmpi[2], fmpi[3], fmpi[4]});
UGridF = SpaceTimeGrid::makeFourDimGrid(latt4,GridDefaultSimd(Nd,vComplexF::Nsimd()),mpi4);
UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
FGridF = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridF);
FrbGridF = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridF);
}
~MGFineGridsF()
{
delete FrbGridF;
delete FGridF;
delete UrbGridF;
delete UGridF;
}
};
//////////////////////////////////////////////////////////////////////
// ALL the coarsening information for one gauge configuration.
//
// Owns: the RAW near-null bases (fine and coarse -- retained so the
// coarse operators can be REBUILT on a changed gauge field with a
// fixed basis, the cheap HMC maintenance step; DiscardBasis() frees
// them for valence use), the two coarsened operators, the two block
// projectors, the dense bottom inverse (raw owning pointer: null in
// the constructor, allocated by BuildDenseBottom, deleted here), and
// the transient per-Nrhs solve grids (created by SetNrhs, which owns
// the ReleaseGrid -> delete -> new -> SetGrid ordering in ONE place).
//
// Borrows: the grid bundle. Declare MGCoarseGrids first.
//////////////////////////////////////////////////////////////////////
template<class Fobj,class CComplex,int nbasis>
class PVdagMMultiGridCoarsening {
public:
typedef Lattice<Fobj> FineField;
typedef MultiGeneralCoarsenedOperator<Fobj,CComplex,nbasis> CoarseOperator;
typedef typename CoarseOperator::CoarseVector CoarseVector;
typedef typename CoarseVector::vector_object CoarseSiteObj;
// Every coarse level carries the same site type iVector<CComplex,nbasis>:
// the coefficient scalar does not deepen with the level (the operator keeps
// its own deeper scratch type for the block inner products). Levels are
// told apart by their grids, not their C++ types.
typedef MultiGeneralCoarsenedOperator<CoarseSiteObj,CComplex,nbasis> CoarseCoarseOperator;
typedef typename CoarseCoarseOperator::CoarseVector CoarseCoarseVector;
typedef DenseCoarseMatrix<CComplex,nbasis> DenseBottom;
// The fp32 fine field, derived from the fp64 one: the fp32 fine level of
// the preconditioner projects through the SAME basis in fp32 layout.
typedef typename GridTypeMapper<Fobj>::SinglePrecision FobjF;
typedef Lattice<FobjF> FineFieldF;
//////////////////////////////////////////////////////////////////////
// ONE fine transfer operator. Its STORE follows the coarse sector --
// the coarse space is what it feeds -- while its import and export
// accept EITHER fine precision, because they are already a layout
// transformation and a scalar conversion inside one costs nothing.
// So an fp64 outer level and an fp32 V-cycle share this single object,
// and no second basis store, handover or retained basis is needed.
//////////////////////////////////////////////////////////////////////
static const bool CoarseIsSingle =
( sizeof(typename GridTypeMapper<CComplex>::scalar_type) == sizeof(ComplexF) );
typedef typename std::conditional<CoarseIsSingle,FineFieldF,FineField>::type ProjectorField;
typedef MultiRHSBlockProject<ProjectorField> ProjectorL1_t;
typedef MultiRHSBlockProject<CoarseVector> ProjectorL2_t;
MGCoarseGrids &Grids; // borrowed
MGFineGridsF &GridsF; // borrowed
MGSetupParams Params;
NextToNearestStencilGeometry5D geom;
NextToNearestStencilGeometry5D geom2;
CoarseOperator CoarseOpPV;
CoarseCoarseOperator CoarseOpL2;
ProjectorL1_t MrhsProjectorL1; // store follows the coarse sector
ProjectorL2_t MrhsProjectorL2;
DenseBottom *DenseCC;
std::vector<FineField> rawNull; // RAW fine near-null basis
std::vector<CoarseVector> rawPsi; // RAW coarse near-null basis
GridCartesian *CMrhs; // transient solve grids, owned
GridCartesian *CCMrhs;
int nrhs;
PVdagMMultiGridCoarsening(MGCoarseGrids &_Grids, MGFineGridsF &_GridsF, const MGSetupParams &P)
: Grids(_Grids),
GridsF(_GridsF),
Params(P),
geom (_Grids.Coarse5d),
geom2(_Grids.CoarseCoarse5d),
CoarseOpPV(geom ,_Grids.Coarse5d),
CoarseOpL2(geom2,_Grids.CoarseCoarse5d),
DenseCC(nullptr),
CMrhs(nullptr),
CCMrhs(nullptr),
nrhs(-1)
{};
~PVdagMMultiGridCoarsening()
{
if ( DenseCC ) delete DenseCC;
CoarseOpPV.ReleaseGrid(); // borrowers let go before their grids die
CoarseOpL2.ReleaseGrid();
if ( CMrhs ) delete CMrhs;
if ( CCMrhs ) delete CCMrhs;
}
////////////////////////////////////////////////////////////////////
// The RAW fine basis: load from Params.SubspaceFile if it exists,
// else GCR inverse iteration from noise (and save if a file name
// was given). The Aggregation is scaffolding for CreateSubspaceGCR
// only -- that runs entirely on the fine grid, so the coarse grid
// it holds is never dereferenced.
////////////////////////////////////////////////////////////////////
void GetSubspace(GridParallelRNG &RNG, LinearOperatorBase<FineField> &FineOp)
{
uint64_t file_exists=0;
if ( Params.SubspaceFile.length() ) {
if ( Grids.FGrid->IsBoss() ){ std::ifstream f(Params.SubspaceFile); file_exists=f.good()?1:0; }
Grids.FGrid->GlobalSum(file_exists);
}
rawNull.clear();
rawNull.reserve(nbasis);
for(int k=0;k<nbasis;k++) rawNull.push_back(FineField(Grids.FGrid));
if ( file_exists ){
std::cout << GridLogMessage << "PVdagMMultiGridCoarsening: loading subspace "
<< Params.SubspaceFile << " (kept RAW)" << std::endl;
loadSubspace(rawNull, Params.SubspaceFile);
} else {
std::cout << GridLogMessage << "PVdagMMultiGridCoarsening: GCR subspace generation" << std::endl;
Aggregation<Fobj,CComplex,nbasis> Agg(Grids.Coarse5d,Grids.FGrid,0);
Agg.CreateSubspaceGCR(RNG,FineOp,nbasis);
for(int k=0;k<nbasis;k++)
rawNull[k]=Agg.subspace[k];
if ( Params.SubspaceFile.length() )
saveSubspace(rawNull, Params.SubspaceFile);
}
}
////////////////////////////////////////////////////////////////////
// Both coarsenings from the retained RAW basis. Calling this again
// on a CHANGED fine operator is the fixed-basis rebuild: for the
// PVdagM coarsening the coarse operator with a fixed basis is exact
// in the changed links. CoarsenOperator block-orthonormalises its
// input in place, so working copies are taken and the RAW vectors
// survive for the next rebuild.
//
// The fine operator must be the PVdagM wrapper (it needs
// SloppyComms: the coarsening builds the PRECONDITIONER, so its
// halos follow the FineSloppyComms policy, restored EXACT on exit).
////////////////////////////////////////////////////////////////////
template<class PVdagMOp>
void Coarsen(PVdagMOp &FineOp, int retain_basis=0)
{
GRID_ASSERT( rawNull.size() == nbasis );
// L1: working copy of the raw fine basis, orthonormalised in place
std::vector<FineField> sub(rawNull);
CoarseOpPV.SetGrid(Grids.CoarseBatch);
std::cout << GridLogMessage << "PVdagMMultiGridCoarsening: L1 CoarsenOperator, batch "
<< Grids.batch << std::endl;
// CoarsenOperator orthonormalises sub in place and imports it into OUR
// transfer operator, which it then uses. One basis store, imported once.
// The projector's grid carries the STORE's SIMD layout, which is the fp32
// fine grid when the coarse sector is fp32; fp64 vectors convert on import.
MrhsProjectorL1.Allocate(nbasis,
CoarseIsSingle ? (GridBase *)GridsF.FGridF : (GridBase *)Grids.FGrid,
Grids.Coarse5d);
FineOp.SloppyComms(Params.FineSloppyComms);
CoarseOpPV.CoarsenOperator(FineOp,sub,Grids.Coarse5d,Grids.batch,MrhsProjectorL1);
FineOp.SloppyComms(0);
// The Lattice copy of the basis has served its purpose: the transfer
// operator holds it in BLAS layout from here on.
sub.clear(); sub.shrink_to_fit();
std::vector<CoarseVector> psi(nbasis,Grids.Coarse5d);
MrhsProjectorL1.blockProject(rawNull,psi);
GramGuard("psi_coarse",psi,Grids.Coarse5d);
rawPsi.clear();
rawPsi.reserve(nbasis);
for(int k=0;k<nbasis;k++) rawPsi.push_back(psi[k]);
// L2: the L1 operator is natively multiRHS at the batch grid
CoarseOpL2.SetGrid(Grids.CoarseCoarseBatch);
NonHermitianLinearOperator<CoarseOperator,CoarseVector> LinOpCoarse(CoarseOpPV);
std::cout << GridLogMessage << "PVdagMMultiGridCoarsening: L2 CoarsenOperator, batch "
<< Grids.batch << std::endl;
MrhsProjectorL2.Allocate(nbasis,Grids.Coarse5d,Grids.CoarseCoarse5d);
CoarseOpL2.CoarsenOperator(LinOpCoarse,Grids.CoarseBatch,psi,Grids.CoarseCoarse5d,MrhsProjectorL2);
{
std::vector<CoarseCoarseVector> psi_cc(nbasis,Grids.CoarseCoarse5d);
MrhsProjectorL2.blockProject(rawPsi,psi_cc); // RAW vectors in
GramGuard("psi_cc",psi_cc,Grids.CoarseCoarse5d);
}
// The RAW basis has done its work (the L2 null space above was its last
// use) and is the single largest resident block of the setup, so it is
// freed. retain_basis keeps it for a caller that coarsens again from the
// same basis; Setup.RetainSubspace keeps it for the object's whole life,
// which is what a fixed-basis rebuild on a changed gauge field (HMC)
// needs. A valence solve never rebuilds.
if ( !retain_basis && !Params.RetainSubspace ) DiscardBasis();
MrhsProjectorL1.ReleaseScratch();
MrhsProjectorL2.ReleaseScratch();
nrhs = -1; // both operators left at the batch grids
ReportDeviceFootprint("after Coarsen");
}
////////////////////////////////////////////////////////////////////
// Dense bottom: import the L2 matrix elements, invert (2D
// block-cyclic, fp64), then the check Import cannot run itself --
// the mrhs operator applies only on a D+1 grid, so drive it at
// Nrhs 1 through a slice: ||A Ainv x - x||/||x||.
////////////////////////////////////////////////////////////////////
void BuildDenseBottom(void)
{
if ( DenseCC ) delete DenseCC;
std::cout << GridLogMessage << "PVdagMMultiGridCoarsening: L3 dense bottom import" << std::endl;
DenseCC = new DenseBottom(Grids.CoarseCoarse5d);
DenseCC->Import(CoarseOpL2);
Coordinate cc1latt({1,1,Grids.cclatt[0],Grids.cclatt[1],Grids.cclatt[2],Grids.cclatt[3]});
GridCartesian *CoarseCoarseOne = new GridCartesian(cc1latt,Grids.cmsimd,Grids.cmmpi);
CoarseOpL2.SetGrid(CoarseCoarseOne);
CoarseCoarseVector x(Grids.CoarseCoarse5d),y(Grids.CoarseCoarse5d),z(Grids.CoarseCoarse5d);
GridParallelRNG dRNG(Grids.CoarseCoarse5d); dRNG.SeedFixedIntegers(std::vector<int>({11,12,13,14}));
random(dRNG,x);
(*DenseCC)(x,y); // y = Ainv x
CoarseCoarseVector y1(CoarseCoarseOne),z1(CoarseCoarseOne);
InsertSliceFast(y,y1,0,0);
CoarseOpL2.M(y1,z1); // z = A y
ExtractSliceFast(z,z1,0,0);
z = z - x;
RealD rel = std::sqrt(norm2(z)/norm2(x));
std::cout << GridLogMessage << "PVdagMMultiGridCoarsening: L3 dense ||A Ainv x - x||/||x|| = "
<< rel << std::endl;
GRID_ASSERT( rel < 1.0e-2 );
CoarseOpL2.ReleaseGrid(); // let go before the grid dies
delete CoarseCoarseOne;
nrhs = -1;
ReportDeviceFootprint("after BuildDenseBottom");
}
////////////////////////////////////////////////////////////////////
// Retarget both operators to a solve Nrhs. The matrix elements are
// Nrhs independent and survive; only the D+1 grids and BLAS buffers
// change. The ordering discipline (borrowers release BEFORE their
// grids are destroyed) lives here and nowhere else.
////////////////////////////////////////////////////////////////////
void SetNrhs(int nr)
{
if ( nr == nrhs ) return;
CoarseOpPV.ReleaseGrid();
CoarseOpL2.ReleaseGrid();
if ( CMrhs ) { delete CMrhs; CMrhs =nullptr; }
if ( CCMrhs ) { delete CCMrhs; CCMrhs=nullptr; }
Coordinate cml ({nr,1,Grids.clatt[0], Grids.clatt[1], Grids.clatt[2], Grids.clatt[3]});
Coordinate ccml({nr,1,Grids.cclatt[0],Grids.cclatt[1],Grids.cclatt[2],Grids.cclatt[3]});
CMrhs = new GridCartesian(cml, Grids.cmsimd,Grids.cmmpi);
CCMrhs = new GridCartesian(ccml,Grids.cmsimd,Grids.cmmpi);
CoarseOpPV.SetGrid(CMrhs);
CoarseOpL2.SetGrid(CCMrhs);
nrhs = nr;
std::cout << GridLogMessage << "PVdagMMultiGridCoarsening: operators at Nrhs " << nr << std::endl;
}
////////////////////////////////////////////////////////////////////
// Galerkin certificate for the L1 coarsening: ||A_c x - P^dag A P x||
// over ||A_c x|| on a random coarse vector, through the SAME transfer
// operators the solve uses. The coarse operator is compared with its
// own definition, so this reads the ROUNDING level of the coarsening
// (fp64 coarse ~1e-13, fp32 coarse ~1e-6) independently of how the
// solve converges. Drives the fine operator with EXACT halos; at more
// than one rank the sloppy-halo coarsening error is included in the
// reading. Nrhs 1; the caller's Nrhs is restored by its own SetNrhs.
////////////////////////////////////////////////////////////////////
template<class PVdagMOp>
RealD CertifyCoarsening(PVdagMOp &FineOp)
{
SetNrhs(1);
CoarseVector xc(CMrhs), Acx(CMrhs), PtAPx(CMrhs);
GridParallelRNG cRNG(CMrhs); cRNG.SeedFixedIntegers(std::vector<int>({21,22,23,24}));
random(cRNG,xc);
CoarseOpPV.M(xc,Acx); // A_c x
std::vector<FineField> Px(1,Grids.FGrid), APx(1,Grids.FGrid);
MrhsProjectorL1.blockPromote(Px,xc); // P x
FineOp.SloppyComms(0);
FineOp.Op(Px[0],APx[0]); // A P x
MrhsProjectorL1.blockProject(APx,PtAPx); // P^dag A P x
CoarseVector d(CMrhs); d = Acx - PtAPx;
RealD rel = std::sqrt(norm2(d)/norm2(Acx));
std::cout << GridLogMessage << "PVdagMMultiGridCoarsening: L1 GALERKIN CERTIFICATE "
<< "||A_c x - P^dag A P x||/||A_c x|| = " << rel << std::endl;
return rel;
}
////////////////////////////////////////////////////////////////////
// The device memory this coarsening holds that the memory manager
// CANNOT evict: BLAS stores, which are plain device allocations.
// Lattice fields are omitted on purpose -- they are evictable, so they
// cost eviction traffic, not failure. What is reported is what has to
// fit alongside the manager's cache, the comms buffers and the shm
// segment, which is the budget an out-of-memory run actually breaks.
////////////////////////////////////////////////////////////////////
void ReportDeviceFootprint(const std::string &when)
{
uint64_t p1 = MrhsProjectorL1.DeviceBytes();
uint64_t p2 = MrhsProjectorL2.DeviceBytes();
uint64_t o1 = CoarseOpPV.DeviceBytes();
uint64_t o2 = CoarseOpL2.DeviceBytes();
uint64_t dn = DenseCC ? DenseCC->DeviceBytes() : 0;
uint64_t tot = p1+p2+o1+o2+dn;
const double G = 1024.*1024.*1024.;
std::cout << GridLogMessage << "PVdagMMultiGridCoarsening (" << when << "): resident device memory/rank "
<< tot/G << " GB = transfer L1 " << p1/G << " + L2 " << p2/G
<< " + operator L1 " << o1/G << " + L2 " << o2/G
<< " + dense " << dn/G << " GB" << std::endl;
std::cout << GridLogMessage << "PVdagMMultiGridCoarsening (" << when << "): not evictable; must fit alongside the "
<< MemoryManager::DeviceMaxBytes/G
<< " GB manager cache, the comms buffers and the shm segment" << std::endl;
}
////////////////////////////////////////////////////////////////////
// Free the retained RAW bases (valence use: coarsening is final for
// this configuration and the fine basis is ~GB-scale host memory).
////////////////////////////////////////////////////////////////////
void DiscardBasis(void)
{
rawNull.clear(); rawNull.shrink_to_fit();
rawPsi.clear(); rawPsi.shrink_to_fit();
}
};
//////////////////////////////////////////////////////////////////////
// The solve chain on a borrowed coarsening: adaptive PGCR smoothers
// at both levels (the one correct route for this non-Hermitian
// chain), dense bottom, mrhs V-cycle, outer shared-coefficient mrhs
// PGCR. Construction retargets the coarsening to this Nrhs.
//
// Halo policy: the whole V-cycle is preconditioner and runs with
// sloppy halos when FineSloppyComms is set; the outer Krylov is EXACT
// (its applications define what "converged" means), asserted by the
// FINAL true-residual report in Solve.
//////////////////////////////////////////////////////////////////////
template<class Matrix,class MatrixF,class Coarsening>
class PVdagMMultiGridSolver {
public:
typedef typename Coarsening::FineField FineField;
typedef typename Coarsening::FineFieldF FineFieldF;
typedef typename Coarsening::CoarseOperator CoarseOperator;
typedef typename Coarsening::CoarseVector CoarseVector;
typedef typename Coarsening::CoarseCoarseOperator CoarseCoarseOperator;
typedef typename Coarsening::CoarseCoarseVector CoarseCoarseVector;
typedef typename Coarsening::DenseBottom DenseBottom;
typedef PrecGeneralisedConjugateResidualNonHermitian<FineField> FineSmoother_t;
typedef PrecGeneralisedConjugateResidualNonHermitian<FineFieldF> FineSmootherF_t;
typedef PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> CoarseKrylov_t;
Coarsening &C;
PVdagMMultiGridParams Params;
int nrhs;
int _regrid; // FIRST member-like init: SetNrhs before members capture grids
PVdagMLinearOperator<Matrix,FineField> PVdagM;
ShiftedPVdagMLinearOperator<Matrix,FineField> ShiftedPVdagM;
TrivialPrecon<FineField> simple_fine;
TrivialPrecon<CoarseVector> simpleC;
NonHermitianLinearOperator<CoarseOperator,CoarseVector> LinOpC;
ShiftedLinearOperator<CoarseVector> ShiftedC;
MrhsDenseCCSolve<DenseBottom,CoarseCoarseVector> ccSolve;
CoarseKrylov_t CoarseSmootherGCR;
MrhsCoarseThreeLevelPrec<CoarseVector,CoarseCoarseVector> L2to3Precon;
CoarseKrylov_t L2PGCR;
// The fp64 fine level of the preconditioner
FineSmoother_t SmootherGCR;
MrhsTwoLevelMG<FineField,CoarseVector,FineSmoother_t,typename Coarsening::ProjectorL1_t> ThreeLevelPrecon;
// The fp32 fine level of the preconditioner, behind the fp64/fp32 seam.
// Both share the coarse chain (L2PGCR); the outer Krylov picks one.
PVdagMLinearOperator<MatrixF,FineFieldF> PVdagMF;
ShiftedPVdagMLinearOperator<MatrixF,FineFieldF> ShiftedPVdagMF;
TrivialPrecon<FineFieldF> simple_fine_f;
FineSmootherF_t SmootherGCRF;
MrhsTwoLevelMG<FineFieldF,CoarseVector,FineSmootherF_t,typename Coarsening::ProjectorL1_t> ThreeLevelPreconF;
MrhsMixedPrecPreconditioner<FineField,FineFieldF> PreconSeam;
MrhsPGCRNonHermitian<FineField> L1PGCR;
PVdagMMultiGridSolver(Matrix &Ddwf, Matrix &Dpv, MatrixF &DdwfF, MatrixF &DpvF,
Coarsening &_C, const PVdagMMultiGridParams &P, int nr)
: C(_C), Params(P), nrhs(nr),
_regrid((C.SetNrhs(nr),0)), // members below capture C.CMrhs/C.CCMrhs
PVdagM(Ddwf,Dpv),
ShiftedPVdagM(P.FineSmoother.Shift,Ddwf,Dpv),
LinOpC(C.CoarseOpPV),
ShiftedC(P.CoarseSmoother.Shift,LinOpC),
ccSolve(*C.DenseCC,nr),
// Coarse smoother: one preconditioned restart of nstep GCR steps.
CoarseSmootherGCR(0.01,1,ShiftedC,simpleC,P.CoarseSmoother.Mmax,P.CoarseSmoother.Nstep),
L2to3Precon(LinOpC,CoarseSmootherGCR,C.MrhsProjectorL2,ccSolve,
C.Grids.Coarse5d,C.Grids.CoarseCoarse5d,C.CCMrhs,nr),
// Coarse Krylov: Order/16 restarts of 16 steps.
L2PGCR(P.CoarseSolver.Tol,P.CoarseSolver.Order/16,LinOpC,L2to3Precon,P.CoarseSolver.Mmax,16),
// Fine smoother: one restart of nstep GCR steps, tolerance 0 = fixed work.
SmootherGCR(0.0,1,ShiftedPVdagM,simple_fine,P.FineSmoother.Mmax,P.FineSmoother.Nstep),
ThreeLevelPrecon(PVdagM,SmootherGCR,C.MrhsProjectorL1,L2PGCR,C.Grids.Coarse5d,C.CMrhs),
PVdagMF(DdwfF,DpvF),
ShiftedPVdagMF(P.FineSmoother.Shift,DdwfF,DpvF),
SmootherGCRF(0.0,1,ShiftedPVdagMF,simple_fine_f,P.FineSmoother.Mmax,P.FineSmoother.Nstep),
ThreeLevelPreconF(PVdagMF,SmootherGCRF,C.MrhsProjectorL1,L2PGCR,C.Grids.Coarse5d,C.CMrhs),
PreconSeam(ThreeLevelPreconF,Ddwf.FermionGrid(),DdwfF.FermionGrid(),nr),
L1PGCR(P.Outer.Tol,P.Outer.MaxIterations,PVdagM,
(P.Setup.FinePrecision==MGPrecision::fp32)
? static_cast<MrhsLinearFunction<FineField>&>(PreconSeam)
: static_cast<MrhsLinearFunction<FineField>&>(ThreeLevelPrecon),
P.Outer.Mmax,P.Outer.Nstep)
{
GRID_ASSERT( C.DenseCC != nullptr );
CoarseSmootherGCR.Level(2);
CoarseSmootherGCR.Name("Csmoother");
CoarseSmootherGCR.SetZeroGuess(1);
L2PGCR.Level(2);
L2PGCR.Name("Couter");
L2PGCR.SetZeroGuess(1);
SmootherGCR.Level(1);
SmootherGCR.Name("Fsmoother");
SmootherGCR.SetZeroGuess(1);
SmootherGCRF.Level(1);
SmootherGCRF.Name("Fsmoother");
SmootherGCRF.SetZeroGuess(1);
L1PGCR.Level(1);
L1PGCR.Name("Fouter");
L1PGCR.SetZeroGuess(1);
// The V-cycle is preconditioner: sloppy halos inside, exact restored on exit.
ThreeLevelPrecon.SetSloppy = [this](int s){ PVdagM.SloppyComms(s); };
ThreeLevelPrecon.SloppyComms = Params.Setup.FineSloppyComms;
ThreeLevelPreconF.SetSloppy = [this](int s){ PVdagMF.SloppyComms(s); };
ThreeLevelPreconF.SloppyComms = Params.Setup.FineSloppyComms;
PVdagM.SloppyComms(0);
PVdagMF.SloppyComms(0);
// Three stages, three arithmetics, and a wire format that follows the
// ARITHMETIC of the stage it serves: fp32 on an fp64 operator, bf16 on
// an fp32 one. The coarsening always applies the fp64 operator, so its
// wire is fp32 whatever the preconditioner runs in.
const bool sloppy = Params.Setup.FineSloppyComms;
const bool pfp32 = (Params.Setup.FinePrecision==MGPrecision::fp32);
std::cout << GridLogMessage << "PVdagMMultiGridSolver: Nrhs " << nr << std::endl;
std::cout << GridLogMessage << " outer Krylov : fp64, halos EXACT (the true residual is measured here)" << std::endl;
std::cout << GridLogMessage << " preconditioner fine: " << (pfp32 ? "fp32 (seam at the outer Krylov)" : "fp64")
<< ", halos " << (sloppy ? (pfp32 ? "SLOPPY bf16 wire" : "SLOPPY fp32 wire") : "exact") << std::endl;
std::cout << GridLogMessage << " coarsening (done) : fp64 operator, halos "
<< (sloppy ? "SLOPPY fp32 wire" : "exact")
<< " -- the coarse operator does not follow FinePrecision" << std::endl;
}
void Solve(std::vector<FineField> &src, std::vector<FineField> &sol)
{
GRID_ASSERT( (int)src.size() == nrhs );
// Start the solve from a clean device: evict setup-era Lattice copies
// and release the allocation caches' held blocks, so the LRU cap
// applies to the solve's own working set (OOM policy, Frontier).
MemoryManager::EvictAll();
MemoryManager::DropCache();
GridStopWatch w; w.Start();
L1PGCR(src,sol);
w.Stop();
std::cout << GridLogMessage << "PVdagMMultiGridSolver: Nrhs "<<nrhs<<" total " << w.Elapsed()
<< " (per RHS: " << w.useconds()/1.0e6/nrhs << " s)" << std::endl;
// The outer operator is exact by policy; assert the state rather than
// trust it -- a preconditioner that failed to restore would surface here.
PVdagM.SloppyComms(0);
{
FineField Ax(src[0].Grid());
RealD worst=0.0;
for(int r=0;r<nrhs;r++){
PVdagM.Op(sol[r],Ax);
Ax=Ax-src[r];
RealD rn=std::sqrt(norm2(Ax)/norm2(src[r]));
std::cout << GridLogMessage << "FINAL Nrhs "<<nrhs<<": rhs["<<r<<"] true residual = " << rn << std::endl;
worst=std::max(worst,rn);
}
std::cout << GridLogMessage << "FINAL Nrhs "<<nrhs<<": worst-case residual = " << worst
<< " (exact-halo verification)" << std::endl;
}
}
};
NAMESPACE_END(Grid);
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