Compare commits

..
Author SHA1 Message Date
Peter Boyle df908ee872 3 level dense 2026-08-11 17:50:12 -04:00
Peter Boyle 84715ff4b9 Default to fast path 2026-08-11 17:39:12 -04:00
Peter Boyle 5792195073 Check in codes used at time of Lattice conference for PVdagM multigrid 2026-08-11 16:35:42 -04:00
Peter Boyle fb5662a449 Setup on Frontier 2026-08-11 16:35:42 -04:00
Peter Boyle 6b2ad3db80 Inverse improvements. Need to make this properly recursive 2026-08-11 16:35:42 -04:00
Peter Boyle f1a969f0c3 Evict all optoin 2026-08-11 16:35:42 -04:00
Peter Boyle f18320a152 GeneralCoarsenedMatrix speed up -- same optimisations for fast
calculation used by GeneralCoarsenedMatrixMultiRHS
2026-08-11 16:35:42 -04:00
Peter Boyle bfcde59199 Memory manager improvements 2026-08-11 16:35:42 -04:00
Peter Boyle f23e9e70cd Global orthogonalise routine 2026-08-11 16:35:42 -04:00
Peter Boyle 06fcd31da0 Verbose options 2026-08-11 16:35:42 -04:00
Peter Boyle 7e4fe99b1e Logging update 2026-08-11 16:35:42 -04:00
Peter Boyle 159ea3d64d Better logging performance 2026-08-11 16:35:42 -04:00
Peter Boyle 1f55c13bc4 Test script for Frontier on I/O 2026-08-11 13:37:50 -04:00
Peter Boyle d68b111d06 Switch on the faster IO be default 2026-08-11 13:36:50 -04:00
Peter Boyle 41f5a02204 IO updates for AllToAllV aggregation of contiguous chunks.
May finally clean up the poor MPI2 IO performance issue that has been persistent.
2026-08-11 13:33:04 -04:00
Peter Boyle 7647576863 Sourceme's for frontier 2026-06-26 11:50:44 -04:00
Peter Boyle f11ba18df2 Remove accelerator_inline on CPU only code 2026-06-17 20:47:15 +02:00
Peter Boyle cf8587e401 Update booster compiule 2026-06-17 20:46:53 +02:00
Peter Boyle 7dd35ef749 Make disable accelerator aware mpi compile for CUDA 2026-06-17 20:46:14 +02:00
Peter Boyle 41e570ddce Annoying old CPU perfmon code should be removed or deprecated as not
worth maintaining
2026-06-17 20:45:32 +02:00
Peter Boyle a452131b50 Print improvement 2026-06-17 20:45:04 +02:00
Peter Boyle 4e49ca55ab Merge branch 'develop' of https://github.com/paboyle/Grid into develop 2026-06-16 11:20:12 -07:00
Peter Boyle c3f4474401 Adding Mattia's memory leak test 2026-06-16 11:19:36 -07:00
Peter Boyle 3d3eff86f3 Modify move assignment operator to be noexcept
Add noexcept specifier to move assignment operator.
2026-06-11 09:44:24 -04:00
Peter Boyle fc9f154ac1 Modify Lattice move constructor to be noexcept
Add noexcept specifier to move constructor for Lattice class.
2026-06-11 09:40:06 -04:00
Peter Boyle 4aa0bca4dc Change sum operation to use gpucub mistake in PR from Chris
Updated the sum operation definition for GPU reduction to use gpucub instead of cub.
2026-06-01 14:12:25 -04:00
Peter Boyle 905da6f083 Merge branch 'feature/reduction-reorganisation' into develop 2026-05-27 21:01:30 -04:00
Peter Boyle 12e3499b6d Updated rocm 7 compile for ORNL 2026-05-21 12:28:42 -04:00
Peter Boyle 9576011011 Changed setup for ROCM 7, nasty LD_LIBRARY_PATH issues were committing
evils
2026-05-21 12:28:04 -04:00
Peter Boyle 155b34c1aa File list lost 2026-05-21 12:06:01 -04:00
Peter BoyleandClaude Sonnet 4.6 982ffe9ebe Lattice_reduction_gpu: demote timing logs to Debug, disable by default
skills/mpi-heterogeneous: add Bug Class 4 for Frontier GTL/libamdhip64 ABI mismatch

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-21 12:05:36 -04:00
Peter BoyleandClaude Sonnet 4.6 0251ecaeab Test_planned_fft: fix PlannedFFT template parameter to use ::vector_object
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-20 18:13:38 -04:00
Peter BoyleandClaude Sonnet 4.6 372a27d645 tests: add Test_planned_fft exercising PlannedFFT<vobj>
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-20 17:59:24 -04:00
Peter BoyleandClaude Sonnet 4.6 72b4a061f3 tests/fft: remove PlanDestroy calls (FFT handles plans per-call)
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-20 17:54:41 -04:00
Peter BoyleandClaude Sonnet 4.6 29198efabe FFT: add FFTbase, PlannedFFT; factor FFT_dim_execute free function
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-20 17:53:17 -04:00
Peter BoyleandClaude Sonnet 4.6 50aa51f93a debug: add Test_hipfft_repro — reproducer for hipFFT PARSE_ERROR on ROCm 7
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 22:27:27 -04:00
Peter BoyleandClaude Sonnet 4.6 79ccc81a86 tests/debug: add G=4 to hipfft fail reproducer
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 22:21:52 -04:00
Peter BoyleandClaude Sonnet 4.6 3f0fdbb597 tests/debug: test hipMemset variant before cache is populated
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 22:10:16 -04:00
Peter BoyleandClaude Sonnet 4.6 ea57bd8f03 tests/debug: extend hipfft fail reproducer with hipMemset and sync variants
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 22:02:02 -04:00
Peter BoyleandClaude Sonnet 4.6 bdba5b8403 FFT: use host stack buffer in PlanCreate, not deviceVector
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 21:49:06 -04:00
Peter BoyleandClaude Sonnet 4.6 58cc6ca9c0 tests/debug: add minimal hipfft ordering bug fail/pass pair
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 21:48:23 -04:00
Peter BoyleandClaude Sonnet 4.6 e5996b440d tests/debug: test plan-before-malloc vs malloc-before-plan ordering
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 21:40:17 -04:00
Peter BoyleandClaude Sonnet 4.6 ad9d03fd85 tests/debug: extend hipfft reproducer with Grid-realistic howmany and exec tests
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 19:19:59 -04:00
Peter BoyleandClaude Sonnet 4.6 4de160ce20 tests/debug: add minimal hipfft plan-creation reproducer
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 17:52:59 -04:00
Peter Boyle fc8c8ce6e7 FFT HIP: use hipfftCreate+hipfftMakePlanMany instead of hipfftPlanMany 2026-05-19 17:29:28 -04:00
Peter Boyle ddbb7f07c8 FFT: pass nullptr for inembed/onembed in hipfftPlanMany to avoid HIPFFT_PARSE_ERROR 2026-05-19 17:15:21 -04:00
Peter BoyleandClaude Sonnet 4.6 1e29c59bcc FFT: cache plans per vobj type across calls
Plans are created lazily on the first FFT_dim call and reused for all
subsequent calls on the same FFT object.  PlanCreate<vobj>() can be
called explicitly to pre-warm the cache.  PlanDestroy() must be called
before switching to a different vobj type; the destructor cleans up any
live plans automatically.

Update Test_fft.cc and Test_fftf.cc to call PlanDestroy() between the
LatticeComplex and LatticeSpinMatrix sections that reuse the same FFT object.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 15:12:10 -04:00
Peter BoyleandClaude Sonnet 4.6 b6abdc3845 Accelerator: lower default accelerator_threads from 16 to 8
Benchmark_dwf_fp32 on MI250X GCD: 1.7 TF/s at nt=8, ~300 GF/s at nt=16.
With Nsimd=8 (fp32, GEN_SIMD_WIDTH=64B), nt=8 gives exactly 64 threads =
one full AMD wavefront. Higher values double register demand per block and
hit a register-pressure cliff for stencil kernels.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 13:41:03 -04:00
Peter Boyle 2fadd8bb62 Accelerator: raise default accelerator_threads from 2 to 16 2026-05-19 10:15:53 -04:00
Peter BoyleandClaude Sonnet 4.6 60df2dd5d0 skills: add gpu-memory-performance.md
Documents the acceleratorThreads() default=2 trap, LambdaApply thread
mapping, coalescedRead/Write idiom, when to use __global__ vs
accelerator_for, and fused vs staged HBM access patterns.

Includes observed MI250X numbers from LatticePropagatorD reduction
(50 → 297 → 546 GB/s progression).

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 10:03:32 -04:00
Peter BoyleandClaude Sonnet 4.6 66b529b345 sumD_gpu_reduce_words: fuse pack+reduce into single packReduceKernel
Replace the two-kernel pack+reduce sequence with a single fused kernel
packReduceKernel<R> that reads R words of each vobj at offset 'base'
and accumulates directly into iVector<iScalar<scalarD>,R>, eliminating
the intermediate bundle buffer entirely.

HBM access per word-group drops from 3x (pack-read + pack-write +
reduce-read) to 1x.  Thread count comes from getNumBlocksAndThreads
(warpSize..256) rather than acceleratorThreads(), so occupancy is
correct regardless of the --accelerator-threads setting.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-19 09:46:43 -04:00
Peter Boyle 1304172a93 Modified repack 2026-05-19 08:53:13 -04:00
Peter BoyleandClaude Sonnet 4.6 1315d4604d Enable GRID_REDUCTION_TIMING unconditionally
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 22:14:00 -04:00
Peter BoyleandClaude Sonnet 4.6 a31af31328 Lattice_reduction_gpu: add GRID_REDUCTION_TIMING instrumentation
Uncomment #define GRID_REDUCTION_TIMING to enable per-phase timing output:

  sumD_gpu_reduce_words: pack time (accelerator_for) per R and base
  sumD_gpu_small:        reduceKernel+barrier time and D2H time separately
  sumD_gpu_large:        total wall time across all word groups

This lets us identify whether the large-type bottleneck is in the pack
kernel, the shared-memory reduction kernel, the barrier, or the D2H.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 22:13:30 -04:00
Peter BoyleandClaude Sonnet 4.6 26c3c7d8f9 sumD_gpu_large: radix-12 word-bundle reduction replacing radix-1
Replace the word-by-word loop (one kernel launch per scalar word) with
sumD_gpu_reduce_words<R> which packs R consecutive vector_type words per
site into iVector<iScalar<vector>,R>, then calls the existing sumD_gpu_small
shared-memory kernel once for the whole bundle.

Dispatch: radix-12 first, radix-4 for the remainder < 12, radix-1 for
any final < 4 words.  For LatticePropagator (144 words = 12x12), this
reduces the kernel-launch count from 144 to 12 -- a 12x reduction.

Bundle::Nsimd() inherits from vector_type so sumD_gpu_small handles SIMD
lane extraction and double-precision promotion identically to the scalar
word case.  sizeof(Bundle::scalar_objectD) = R*16 <= 192 B; well within
sharedMemPerBlock on all supported devices.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 21:56:45 -04:00
Peter BoyleandClaude Sonnet 4.6 0650d7c7eb Lattice_reduction_sycl: fix double-precision accumulation in sumD_gpu_tensor
Accumulate in sobjD throughout rather than accumulating in sobj and
converting the final sum. For float fields this matters: summing N floats
then casting loses O(N*eps_float) relative precision vs accumulating in
double from the start.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 21:53:40 -04:00
Peter BoyleandClaude Sonnet 4.6 068f95ad2d Revert to hand-rolled reduction; drop Lattice_reduction_gpu_cub.h
Remove the CUB/hipCUB direction entirely. Restore Lattice_reduction_gpu.h,
Lattice_reduction_sycl.h, and Lattice_reduction.h to the state before the
CUB rewrite (commit 969b0a39), recovering the original primary function names
(sumD_gpu_small, sumD_gpu_large, sumD_gpu, sum_gpu, sum_gpu_large) and the
hand-rolled shared-memory reduction kernel.

Delete Lattice_reduction_gpu_cub.h. Update Test_reduction to remove the
old/new comparison sections that depended on sum_gpu_old.

The lesson: CUB DeviceReduce is slower than the hand-rolled kernel for small
types, and the smem sizing problem for the extraction pass has no clean
solution within the accelerator_for abstraction. The right improvement is
a higher radix (12 then 4) in sumD_gpu_large, applied directly to the
existing hand-rolled kernel.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 21:52:18 -04:00
Peter BoyleandClaude Sonnet 4.6 f4fbf7c9ca sumD_gpu_direct: revert to per-lane write; CUB handles Nsimd*osites inputs
Benchmarking showed the shared-memory lane-summation approach (843d6497)
was slower than writing each SIMD lane individually and letting CUB reduce
the full nlanes = osites*Nsimd array. CUB's device reduce is more efficient
over the larger input than the smem overhead + serialised lane-0 summation.
The smem approach also required overriding acceleratorThreads() to avoid
the block-size sizing problem. Restore the simpler per-lane path.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 21:23:15 -04:00
Peter BoyleandClaude Sonnet 4.6 843d6497b2 sumD_gpu_direct: shared-memory lane reduction with acceleratorThreads(1)
Set acceleratorThreads to 1 before the extraction kernel so that
dim3(nsimd,1,1) blocks give exactly one site group per block and
__shared__ sobjD smem[nsimd] is correctly sized without depending on
the runtime acceleratorThreads() value. threadIdx.x (acceleratorSIMTlane)
indexes the SIMD lane for coalesced reads; lane 0 sums smem[0..nsimd-1]
and writes one sobjD per site. CUB then reduces osites elements instead
of osites*nsimd, reducing both store traffic and CUB work by Nsimd.
acceleratorSynchronise() (warp-level) suffices since nsimd < warpSize.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 21:08:10 -04:00
Peter BoyleandClaude Sonnet 4.6 747c167658 sumD_gpu_direct: one thread per SIMD lane using extractLane
Replaces one thread per outer site calling Reduce() (sequential Nsimd-wide
loop) with one thread per lane calling extractLane() — O(1) per thread.
CUB now reduces over osites*Nsimd elements. Avoids serial lane reduction
but leaves the per-lane sobjD store stride as a known remaining concern.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 16:21:50 -04:00
Peter BoyleandClaude Sonnet 4.6 fca2c5dba0 Lattice_reduction_gpu_cub: define GRID_REDUCTION_TIMING in header
Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 14:54:08 -04:00
Peter BoyleandClaude Sonnet 4.6 e12bc7f07c Lattice_reduction_gpu_cub: add GRID_REDUCTION_TIMING instrumentation
Guards accelerator_for and CUB DeviceReduce calls in sumD_gpu_direct
and sumD_gpu_large with #ifdef GRID_REDUCTION_TIMING to isolate where
time is spent in each path. Large path accumulates across all groups
and prints totals with words/nfull/rem context.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 14:23:44 -04:00
Peter BoyleandClaude Sonnet 4.6 dc6ae51cab Lattice_reduction_gpu_cub: replace WordBundle4 with iVector<iScalar<scalarD>,4>
WordBundle4 was redundant with Grid's existing tensor infrastructure.
iVector<iScalar<scalarD>,4> already provides accelerator_inline operator+,
zeroit(), and sycl::is_device_copyable — no new type needed.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 13:55:28 -04:00
Peter BoyleandClaude Sonnet 4.6 baa70d8ec9 Test_reduction: add timing benchmark for new vs old reduction paths
Reports us/call and GB/s for sum_gpu (CUB/sycl::reduction) and
sum_gpu_old (hand-rolled shared-memory) for each field type, with
5-call warmup and 100-call timed loop.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 12:31:13 -04:00
Peter BoyleandClaude Sonnet 4.6 c93b338bdd skills: HPC battle-hardening skill files for GPU+MPI correctness
Six skill files encoding expertise for making codebases robust on
problematic HPC systems, covering: correctness verification
(double-run, fingerprinting, flight recorder), hang diagnosis,
GPU runtime correctness (premature barrier, infinite poll),
MPI correctness on heterogeneous systems (device buffer aliasing,
AARCH64 PLT corruption, deterministic reductions),
compiler validation, and communication/computation overlap pipeline
design.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 12:10:44 -04:00
Peter BoyleandClaude Sonnet 4.6 c0472aa0ec Test_reduction: use separate float and double grids
Float fields require a grid constructed with vComplexF::Nsimd(); using
a double grid causes grid->_gsites to undercount the sites in float
vobjF, making the constant-field expected value wrong.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-18 12:09:35 -04:00
Peter BoyleandClaude Sonnet 4.6 09552cfd73 Rename scalarNorm2 to squaredSum in Test_reduction.cc
The function computes |sum|^2 — the squared magnitude of an aggregate sum —
not a norm. squaredSum makes clear that squaring is applied to the sum, not
to individual site values before summing, distinguishing it from sumOfSquares
(the squared L2 norm).

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-15 23:15:11 -04:00
Peter BoyleandClaude Sonnet 4.6 003fec509c Fix Zero() used on thrust::complex in WordBundle4 initialisation
Grid's Zero() sentinel is not assignable to thrust::complex<double>;
use scalarD(0) instead.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-15 18:10:17 -04:00
Peter BoyleandClaude Sonnet 4.6 773a82d87f Reinstate large/small dispatch in CUB reduction path; radix-4 word-bundle for large types
rocPRIM's DeviceReduce requires warpSize(64) threads each holding one element in shared
memory, so sizeof(T)*64 must fit in sharedMemPerBlock.  LatticePropagator::scalar_objectD
is 2304 bytes (64*2304 = 147 KB), exceeding the budget and triggering a compile-time
static_assert in limit_block_size.

Introduce sumD_gpu_direct (the original direct-CUB path, safe for small types) and a new
sumD_gpu_large that groups the vobj's vector_type words in bundles of 4, reducing each
bundle as WordBundle4<scalarD> (64 bytes, 64*64 = 4 KB — always within budget).  If
words % 4 != 0, the final partial bundle is zero-padded.  sumD_gpu dispatches at compile
time via if constexpr on sizeof(sobjD) > 512.

For LatticePropagator (144 words) this gives 36 CUB launches instead of 144.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-15 16:55:58 -04:00
Peter BoyleandClaude Sonnet 4.6 286c29d6fb Add Test_reduction to tests/debug
Tests the new CUB/hipCUB/SYCL lattice reduction (sum_gpu) against the
preserved hand-rolled implementation (sum_gpu_old) for LatticeComplexF/D,
LatticeColourMatrixF/D and LatticePropagatorF/D.

Part a) gaussian random field: checks that old and new agree to within
float/double roundoff tolerance.
Part b) constant field (= 1.0, identity-matrix init): verifies
innerProduct(sum, sum) = Ncomp * V^2 where Ncomp counts the nonzero
diagonal scalar components per site (1 / Nc / Ns*Nc respectively).

Make.inc is auto-generated by scripts/filelist on bootstrap and is not
tracked; the new .cc file is all that is needed.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-15 14:31:33 -04:00
Peter BoyleandClaude Sonnet 4.6 969b0a3922 Rewrite lattice GPU reduction to use CUB, hipCUB, and SYCL reduction
Replace hand-rolled shared-memory reduction kernels (reduceBlock/reduceBlocks/
reduceKernel) and the global device variable retirementCount with a unified
CUB/hipCUB DeviceReduce::Reduce path for CUDA/HIP and sycl::reduction for SYCL.
No small/large split is needed: both CUB and sycl::reduction handle arbitrary
object sizes internally.

Old implementations preserved as sum_gpu_old / sumD_gpu_old etc. in the
original files for regression testing on GPU hardware.

Also add CLAUDE.md with build, test, and architecture guidance.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
2026-05-15 13:41:56 -04:00
52 changed files with 9487 additions and 1326 deletions

No files matched your search

+67 -26
View File
@@ -30,9 +30,6 @@ Key configure options:
| `--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 |
| `--enable-debug=yes` | adds `-g`, removes `-O3` |
Use `make V=1` for verbose compiler output (shows full flags; required for bug reports).
Platform recipes from `README.md`:
- **KNL**: `--enable-simd=KNL --enable-comms=mpi3-auto --enable-mkl`
@@ -42,17 +39,39 @@ Platform recipes from `README.md`:
Required external libs: GMP, MPFR, OpenSSL, zlib.
## Running Tests
### 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 check # runs only Test_simd, Test_cshift, Test_stencil, Test_dwf_mixedcg_prec
make -C tests/<subdir> tests # build (not run) the tests in a subdirectory
make bench # build benchmarks
./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)
@@ -78,9 +97,35 @@ Test subdirectories and their focus: `core` (SIMD, stencil, comms), `solver` (CG
- `smearing/` — APE, Stout, HEX, gradient flow
- `observables/` — Polyakov loop, plaquette, topological charge
### GPU acceleration
### GPU acceleration and the view/memory-manager discipline
GPU support is injected via macros (`accelerator_for`, `accelerator_for2dNB`). The `Grid/simd/` SIMD types map to scalar on GPU device code; host code paths remain vectorised. Unified virtual memory is on by default (`--enable-unified=yes`); device-aware MPI (`--enable-accelerator-aware-mpi`) avoids device→host copies on transfers.
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 |
### Memory and I/O
@@ -88,28 +133,24 @@ GPU support is injected via macros (`accelerator_for`, `accelerator_for2dNB`). T
- `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
### HMC applications
### Executables
`HMC/` contains production-ready HMC driver programmes (e.g. `Mobius2p1f.cc`, `DWF_plus_DSDR_nf2plus1_Shamir_Gparity.cc`). These are built separately from the library tests.
- `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`.
- 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`; the explicit instantiation `.cc` files live under `Grid/qcd/action/fermion/instantiation/<Impl>/` and are selected by `scripts/filelist`.
- The `RealD`/`RealF`/`ComplexD`/`ComplexF` typedefs are used everywhere; avoid raw `double`/`float`.
- Logging uses `Grid_log`, `Grid_error` macros (from `Grid/log/`); performance-critical paths use the `GRID_TRACE` / timer macros from `Grid/perfmon/`.
- 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.
## Skills
`skills/` contains seven user-invocable Claude Code skills encoding deep domain knowledge for HPC work in this repo. Invoke with `/skill-name` or ask Claude to use them by name:
| Skill | When to use |
|-------|-------------|
| `gpu-memory-performance` | Bandwidth/occupancy problems — `acceleratorThreads()` pitfalls, `coalescedRead/Write`, fused vs staged HBM patterns |
| `gpu-runtime-correctness` | Wrong answers, non-deterministic results, premature `q.wait()` returns |
| `communication-overlap` | Designing GPU+MPI overlap pipelines; replacing broken accelerator-aware MPI paths with host-staged 7-phase pipeline |
| `mpi-heterogeneous` | Collective hangs, buffer aliasing in `MPI_Sendrecv`, heterogeneous topology bugs |
| `hang-diagnosis` | Distinguishing ioctl hangs, infinite poll loops, collective deadlocks, and silent wrong-answer races |
| `correctness-verification` | Reproducibility checksums, double-wait testing, bisecting non-deterministic failures |
| `compiler-validation` | Confirming compiler/optimisation flags are safe before production runs |
- 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`).
+73 -32
View File
@@ -53,7 +53,22 @@ class TwoLevelCG : public LinearFunction<Field>
// 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,
@@ -103,12 +118,20 @@ class TwoLevelCG : public LinearFunction<Field>
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
@@ -145,33 +168,40 @@ class TwoLevelCG : public LinearFunction<Field>
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
// Standard search direction p -> z + b p
b = (rtzp)/rtz;
int northog;
@@ -202,8 +232,25 @@ class TwoLevelCG : public LinearFunction<Field>
if ( rn <= rsq ) {
HDCGTimer.Stop();
std::cout<<GridLogMessage<<"HDCG: fPcg converged in "<<k<<" iterations and "<<HDCGTimer.Elapsed()<<std::endl;;
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]);
@@ -475,35 +522,29 @@ class TwoLevelADEF2 : public TwoLevelCG<Field>
CoarseField PleftProj(this->coarsegrid);
CoarseField PleftMss_proj(this->coarsegrid);
GridStopWatch SmootherTimer;
GridStopWatch MatrixTimer;
SmootherTimer.Start();
this->SmoothTimer.Start();
this->_Smoother(in,Min);
SmootherTimer.Stop();
this->SmoothTimer.Stop();
this->SmoothCalls++;
MatrixTimer.Start();
this->MatrixTimer.Start();
this->_FineLinop.HermOp(Min,out);
MatrixTimer.Stop();
this->MatrixTimer.Stop();
this->MatrixCalls++;
axpy(tmp,-1.0,out,in); // tmp = in - A Min
GridStopWatch ProjTimer;
GridStopWatch CoarseTimer;
GridStopWatch PromTimer;
ProjTimer.Start();
this->_Aggregates.ProjectToSubspace(PleftProj,tmp);
ProjTimer.Stop();
CoarseTimer.Start();
this->ProjectTimer.Start();
this->_Aggregates.ProjectToSubspace(PleftProj,tmp);
this->ProjectTimer.Stop();
this->ProjectCalls++;
this->CoarseTimer.Start();
this->_CoarseSolver(PleftProj,PleftMss_proj); // Ass^{-1} [in - A Min]_s
CoarseTimer.Stop();
PromTimer.Start();
this->_Aggregates.PromoteFromSubspace(PleftMss_proj,tmp);// tmp = Q[in - A Min]
PromTimer.Stop();
std::cout << GridLogPerformance << "PcgM1 breakdown "<<std::endl;
std::cout << GridLogPerformance << "\tSmoother " << SmootherTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\tProj " << ProjTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\tCoarse " << CoarseTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\tProm " << PromTimer.Elapsed() <<std::endl;
this->CoarseTimer.Stop();
this->CoarseCalls++;
this->PromoteTimer.Start();
this->_Aggregates.PromoteFromSubspace(PleftMss_proj,tmp);// tmp = Q[in - A Min]
this->PromoteTimer.Stop();
this->PromoteCalls++;
axpy(out,1.0,Min,tmp); // Min+tmp
}
+11 -7
View File
@@ -212,13 +212,17 @@ public:
<< "\tTarget " << Tolerance << std::endl;
// std::cout << GridLogMessage << "\tPreamble " << PreambleTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tSolver Elapsed " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "Time breakdown "<<std::endl;
std::cout << GridLogPerformance << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\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;
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;
@@ -288,21 +288,17 @@ public:
//----------------------------------------------------------------------
if ( Nm>Nk ) {
Glog <<" #Ritz values of poly(A) before shift ["<<Nm<<" values]:"<<std::endl;
for(int i=0; i<Nm; ++i){
std::cout.precision(8);
std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
std::cout << "Rval = "<<std::setw(16)<< std::setiosflags(std::ios_base::left)<< eval2[i] << std::endl;
}
// Glog <<" #Apply shifted QR transformations "<<std::endl;
//int k2 = Nk+Nu;
int k2 = Nk;
Eigen::MatrixXcd BTDM = Eigen::MatrixXcd::Identity(Nm,Nm);
Q = Eigen::MatrixXcd::Identity(Nm,Nm);
unpackHermitBlockTriDiagMatToEigen(lmd,lme,Nu,Nblock_m,Nm,Nm,BTDM);
for(int ip=Nk; ip<Nm; ++ip){
Glog << " ip "<<ip<<" / "<<Nm<<std::endl;
shiftedQRDecompEigen(BTDM,Nu,Nm,eval2[ip],Q);
}
@@ -330,11 +326,11 @@ public:
Qt = Eigen::MatrixXcd::Identity(Nm,Nm);
diagonalize(eval2,lmd2,lme2,Nu,Nk,Nm,Qt,grid);
_sort.push(eval2,Nk);
Glog << "#Ritz values of poly(A) after shift ["<<Nk<<" values]:"<<std::endl;
// Glog << "#Ritz value after shift: "<< std::endl;
for(int i=0; i<Nk; ++i){
std::cout.precision(8);
std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
std::cout << "Rval = "<<std::setw(16)<< std::setiosflags(std::ios_base::left)<< eval2[i] << std::endl;
// std::cout.precision(13);
// std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
// std::cout << "Rval = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[i] << std::endl;
}
}
//----------------------------------------------------------------------
@@ -714,17 +710,11 @@ private:
//lme[0][L] = beta;
for (int u=0; u<Nu; ++u) {
// Glog << "norm2(w[" << u << "])= "<< norm2(w[u]) << std::endl;
GRID_ASSERT (!isnan(norm2(w[u])));
}
// Diagnostic: print alpha (lmd) and beta (lme) block diagonals for this step
{
Glog << " blk b="<<std::setw(3)<<b<<" alpha:";
for (int u=0; u<Nu; ++u)
std::cout << " " << std::setw(10) << std::setprecision(6) << real(lmd[u][L+u]);
std::cout << " |beta|:";
for (int u=0; u<Nu; ++u)
std::cout << " " << std::setw(10) << std::setprecision(6) << abs(lme[u][L+u]);
std::cout << std::endl;
for (int k=L+u; k<R; ++k) {
// Glog <<" In block "<< b << "," <<" beta[" << u << "," << k-L << "] = " << lme[u][k] << std::endl;
}
}
// Glog << "LinAlg done "<< std::endl;
@@ -236,4 +236,5 @@ public:
}
};
NAMESPACE_END(Grid);
#undef GCRLogLevel
#endif
@@ -38,13 +38,14 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
///////////////////////////////////////////////////////////////////////////////////////////////////////
NAMESPACE_BEGIN(Grid);
#define GCRLogLevel std::cout << GridLogMessage <<std::string(level,'\t')<< " Level "<<level<<" "
#define GCRLogLevel std::cout << GridLogMessage <<std::string(level,'\t')<< name<<" "
template<class Field>
class PrecGeneralisedConjugateResidualNonHermitian : public LinearFunction<Field> {
public:
using LinearFunction<Field>::operator();
RealD Tolerance;
RealD SSQ;
Integer MaxIterations;
int verbose;
int mmax;
@@ -54,11 +55,18 @@ public:
GridStopWatch PrecTimer;
GridStopWatch MatTimer;
GridStopWatch LinalgTimer;
std::string name;
int ZeroGuess = 0; // caller contract: guess is always zero => first-cycle r0 = src, skip the apply
int FirstCycle = 0;
LinearFunction<Field> &Preconditioner;
LinearOperatorBase<Field> &Linop;
void Level(int lv) { level=lv; };
void Name(std::string _name) { name = _name; };
void Level(int n) { Name("Level " + std::to_string(n)); level = n; }
void SetZeroGuess(int z) { ZeroGuess = z; };
PrecGeneralisedConjugateResidualNonHermitian(RealD tol,Integer maxit,LinearOperatorBase<Field> &_Linop,LinearFunction<Field> &Prec,int _mmax,int _nstep) :
Tolerance(tol),
@@ -67,8 +75,8 @@ public:
Preconditioner(Prec),
mmax(_mmax),
nstep(_nstep)
{
level=1;
{
Level(1);
verbose=1;
};
@@ -77,6 +85,7 @@ public:
// psi=Zero();
RealD cp, ssq,rsq;
ssq=norm2(src);
SSQ=ssq;
rsq=Tolerance*Tolerance*ssq;
Field r(src.Grid());
@@ -89,11 +98,12 @@ public:
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 = "<<cp<<" target "<<rsq <<std::endl;
GCRLogLevel <<"PGCR("<<mmax<<","<<nstep<<") "<< steps <<" steps cp = "<<sqrt(cp/ssq)<<" target "<<sqrt(rsq/ssq) <<std::endl;
if(cp<rsq) {
@@ -142,21 +152,25 @@ public:
GCRLogLevel<< "PGCR nStep("<<nstep<<")"<<std::endl;
//////////////////////////////////
// initial guess x0 is taken as nonzero.
// r0=src-A x0 = src
// 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.
//////////////////////////////////
MatTimer.Start();
Linop.Op(psi,Az);
// zAz = innerProduct(Az,psi);
zAAz= norm2(Az);
MatTimer.Stop();
if (ZeroGuess && FirstCycle) {
psi = Zero();
LinalgTimer.Start();
r = src;
LinalgTimer.Stop();
} else {
MatTimer.Start();
Linop.Op(psi,Az);
MatTimer.Stop();
LinalgTimer.Start();
r=src-Az;
LinalgTimer.Stop();
}
FirstCycle=0;
LinalgTimer.Start();
r=src-Az;
LinalgTimer.Stop();
GCRLogLevel<< "PGCR true residual r = src - A psi "<<norm2(r) <<std::endl;
/////////////////////
// p = Prec(r)
/////////////////////
@@ -181,6 +195,7 @@ public:
cp =norm2(r);
LinalgTimer.Stop();
GCRLogLevel<< "PGCR true residual "<< sqrt(cp/SSQ) <<std::endl;
for(int k=0;k<nstep;k++){
@@ -199,13 +214,12 @@ public:
cp = axpy_norm(r,-a,q[peri_k],r);
LinalgTimer.Stop();
GCRLogLevel<< "PGCR step["<<steps<<"] resid " << cp << " target " <<rsq<<std::endl;
GCRLogLevel<< "PGCR step["<<steps<<"] resid " << sqrt(cp/SSQ)<<std::endl;
if((k==nstep-1)||(cp<rsq)){
return cp;
}
PrecTimer.Start();
Preconditioner(r,z);// solve Az = r
PrecTimer.Stop();
@@ -239,4 +253,6 @@ public:
}
};
NAMESPACE_END(Grid);
#undef GCRLogLevel
#endif
+24 -4
View File
@@ -66,7 +66,21 @@ public:
{
};
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;
@@ -110,14 +124,16 @@ public:
hermop.Op(noise,Mn); std::cout<<GridLogMessage << "noise ["<<b<<"] <n|MdagM|n> "<<norm2(Mn)<<std::endl;
for(int i=0;i<4;i++){
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;
@@ -134,7 +150,8 @@ public:
// 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(0.001,30,DiracOp,simple_fine,10,10);
// 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);
@@ -167,6 +184,8 @@ public:
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;
}
@@ -174,6 +193,7 @@ public:
subspace[b] = noise;
}
GlobalOrthonormalise();
}
////////////////////////////////////////////////////////////////////////////////////////////////
@@ -31,6 +31,7 @@ Author: Peter Boyle <pboyle@bnl.gov>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/deflation/MultiRHSBlockProject.h>
NAMESPACE_BEGIN(Grid);
@@ -66,6 +67,10 @@ public:
std::vector<CoarseMatrix> _Adag;
std::vector<CoarseVector> MultTemporaries;
int64_t MultCalls;
double MultFlopsAccum;
double MultUsecAccum;
///////////////////////
// Interface
///////////////////////
@@ -104,19 +109,20 @@ public:
}
*/
GeneralCoarsenedMatrix(NonLocalStencilGeometry &_geom,GridBase *FineGrid, GridCartesian * CoarseGrid)
GeneralCoarsenedMatrix(NonLocalStencilGeometry &_geom,GridBase *FineGrid, GridCartesian * CoarseGrid,int _herm=1)
: geom(_geom),
_FineGrid(FineGrid),
_CoarseGrid(CoarseGrid),
hermitian(1),
hermitian(_herm),
Cell(_geom.Depth(),_CoarseGrid),
Stencil(Cell.grids.back(),geom.shifts)
Stencil(Cell.grids.back(),geom.shifts),
MultCalls(0), MultFlopsAccum(0.0), MultUsecAccum(0.0)
{
{
int npoint = _geom.npoint;
}
_A.resize(geom.npoint,CoarseGrid);
// _Adag.resize(geom.npoint,CoarseGrid);
if ( !hermitian ) _Adag.resize(geom.npoint,CoarseGrid);
}
void M (const CoarseVector &in, CoarseVector &out)
{
@@ -124,10 +130,10 @@ public:
}
void Mdag (const CoarseVector &in, CoarseVector &out)
{
GRID_ASSERT(hermitian);
Mult(_A,in,out);
// if ( hermitian ) M(in,out);
// else Mult(_Adag,in,out);
if(hermitian)
Mult(_A,in,out);
else
Mult(_Adag,in,out);
}
void Mult (std::vector<CoarseMatrix> &A,const CoarseVector &in, CoarseVector &out)
{
@@ -227,29 +233,28 @@ public:
text+=usecond();
ttot+=usecond();
std::cout << GridLogPerformance<<"Coarse 1rhs Mult Aviews "<<tviews<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult exch "<<texch<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult mult "<<tmult<<" us"<<std::endl;
std::cout << GridLogPerformance<<" of which mult2 "<<tmult2<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult ext "<<text<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult temps "<<ttemps<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult copy "<<tcopy<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult tot "<<ttot<<" us"<<std::endl;
// std::cout << GridLogPerformance<<std::endl;
std::cout << GridLogPerformance<<"Coarse Kernel flops "<< flops<<std::endl;
std::cout << GridLogPerformance<<"Coarse Kernel flop/s "<< flops/tmult<<" mflop/s"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Kernel bytes/s "<< bytes/tmult<<" MB/s"<<std::endl;
std::cout << GridLogPerformance<<"Coarse overall flops/s "<< flops/ttot<<" mflop/s"<<std::endl;
std::cout << GridLogPerformance<<"Coarse total bytes "<< bytes/1e6<<" MB"<<std::endl;
MultCalls++;
MultFlopsAccum += flops;
MultUsecAccum += ttot;
std::cout << GridLogPerformance
<< "Coarse Mult call " << MultCalls
<< " tot " << ttot << " us"
<< " kernel " << tmult << " us"
<< " kernel " << flops/tmult*1e-3 << " GFlop/s"
<< " overall " << MultFlopsAccum/MultUsecAccum*1e-3 << " GFlop/s (cumul)"
<< " bw " << bytes/tmult*1e-3 << " GB/s"
<< std::endl;
};
void PopulateAdag(void)
{
#if 0
// Serial global peek/poke reference implementation
for(int64_t bidx=0;bidx<CoarseGrid()->gSites() ;bidx++){
Coordinate bcoor;
CoarseGrid()->GlobalIndexToGlobalCoor(bidx,bcoor);
for(int p=0;p<geom.npoint;p++){
Coordinate scoor = bcoor;
for(int mu=0;mu<bcoor.size();mu++){
@@ -262,6 +267,36 @@ public:
pokeSite(adj(link),_Adag[pp],bcoor);
}
}
#else
// Parallel: _Adag[pp](x) = adj( _A[p](x + s_pp) ), pp = Reverse(p), s_pp = -s_p.
// The neighbour fetch reuses the same padded-cell + stencil machinery as Mult,
// reading one matrix element per coalesced access so no whole site matrix
// (230KB at nbasis=60) ever lands on a GPU thread stack (HIP limit 128KB).
// Halo sites compute garbage neighbours; Cell.Extract discards them.
// Must run on the unpadded _A, i.e. before ExchangeCoarseLinks.
const int Nsimd = CComplex::Nsimd();
for(int p=0;p<geom.npoint;p++){
int pp = geom.Reverse(p);
CoarseMatrix Apad = Cell.ExchangePeriodic(_A[p]);
CoarseMatrix Dpad(Apad.Grid());
int64_t osites = Apad.Grid()->oSites();
{
autoView( Apad_v , Apad, AcceleratorRead);
autoView( Dpad_v , Dpad, AcceleratorWriteDiscard);
autoView( Stencil_v, Stencil, AcceleratorRead);
accelerator_for(sj, osites*nbasis, Nsimd, {
int32_t ss = sj/nbasis;
int32_t j = sj%nbasis;
auto SE = Stencil_v.GetEntry(pp,ss);
for(int i=0;i<nbasis;i++){
auto z = coalescedReadGeneralPermute(Apad_v[SE->_offset](i,j),SE->_permute,Nd);
coalescedWrite(Dpad_v[ss](j,i),conjugate(z));
}
});
}
_Adag[pp] = Cell.Extract(Dpad);
}
#endif
}
/////////////////////////////////////////////////////////////
//
@@ -417,10 +452,9 @@ public:
int osites=CoarseGrid()->oSites();
autoView( A_v , _A[k], AcceleratorWrite);
autoView( FT_v , FT[k], AcceleratorRead);
accelerator_for(sss, osites, 1, {
for(int j=0;j<nbasis;j++){
A_v[sss](i,j) = FT_v[sss](j);
}
accelerator_for(sss, osites, nbasis, {
int j = acceleratorSIMTlane(nbasis);
A_v[sss](i,j) = FT_v[sss](j);
});
}
tinv+=usecond();
@@ -428,8 +462,8 @@ public:
// Only needed if nonhermitian
if ( ! hermitian ) {
// std::cout << GridLogMessage<<"PopulateAdag "<<std::endl;
// PopulateAdag();
std::cout << GridLogMessage<<"PopulateAdag "<<std::endl;
PopulateAdag();
}
// Need to write something to populate Adag from A
@@ -517,13 +551,9 @@ public:
// Now compute the matrix elements of linop between the orthonormal
// set of vectors.
///////////////////////////////////////////////////////////////////////
FineField phaV(grid); // Phased block basis vector
FineField MphaV(grid);// Matrix applied
std::vector<FineComplexField> phaF(npoint,grid);
std::vector<CoarseComplexField> pha(npoint,CoarseGrid());
CoarseVector coarseInner(CoarseGrid());
typedef typename CComplex::scalar_type SComplex;
FineComplexField one(grid); one=SComplex(1.0);
FineComplexField zz(grid); zz = Zero();
@@ -542,37 +572,52 @@ public:
pha[p] =exp(pha[p]*ci);
blockZAXPY(phaF[p],pha[p],one,zz);
}
tphase+=usecond();
std::vector<CoarseVector> ComputeProj(npoint,CoarseGrid());
std::vector<CoarseVector> FT(npoint,CoarseGrid());
// Import basis into BLAS layout once; blockProject then reads it once per
// basis vector rather than once per (i,p) as in scalar blockProject.
// Process all npoint in a single batch.
MultiRHSBlockProject<FineField> Projector;
Projector.Allocate(nbasis, grid, CoarseGrid());
Projector.ImportBasis(U.subspace);
std::vector<FineField> phaV_batch(npoint, grid);
std::vector<FineField> MphaV_batch(npoint, grid);
std::vector<CoarseVector> proj_batch(npoint, CoarseGrid());
std::vector<CoarseVector> ComputeProj(npoint, CoarseGrid());
std::vector<CoarseVector> FT(npoint, CoarseGrid());
// Pre-allocate BLAS_F and BLAS_C to avoid repeated hipMalloc/hipFree of
// ~5.6 GB per blockProject call, which hangs on ROCm for large allocations.
Projector.BLAS_F.resize(Projector.fine_vol * Projector.words * npoint);
Projector.BLAS_C.resize(Projector.coarse_vol * nbasis * npoint);
for(int i=0;i<nbasis;i++){// Loop over basis vectors
accelerator_barrier(); // ensure prior iteration's async writes are retired
std::cout << GridLogMessage<< "CoarsenMatrixColoured vec "<<i<<"/"<<nbasis<< std::endl;
for(int p=0;p<npoint;p++){ // Loop over momenta in npoint
tphaseBZ-=usecond();
phaV = phaF[p]*V.subspace[i];
tphaseBZ+=usecond();
/////////////////////////////////////////////////////////////////////
// Multiple phased subspace vector by matrix and project to subspace
// Remove local bulk phase to leave relative phases
/////////////////////////////////////////////////////////////////////
tmat-=usecond();
linop.Op(phaV,MphaV);
tmat+=usecond();
// std::cout << i << " " <<p << " MphaV "<<norm2(MphaV)<<" "<<norm2(phaV)<<std::endl;
tphaseBZ-=usecond();
for(int p=0;p<npoint;p++)
phaV_batch[p] = phaF[p] * V.subspace[i];
tphaseBZ+=usecond();
std::cout << GridLogMessage<< "CoarsenMatrixColoured vec "<<i<<" phaseBZ done"<< std::endl;
tproj-=usecond();
blockProject(coarseInner,MphaV,U.subspace);
coarseInner = conjugate(pha[p]) * coarseInner;
tmat-=usecond();
for(int p=0;p<npoint;p++)
linop.Op(phaV_batch[p], MphaV_batch[p]);
tmat+=usecond();
std::cout << GridLogMessage<< "CoarsenMatrixColoured vec "<<i<<" mat done"<< std::endl;
ComputeProj[p] = coarseInner;
tproj+=usecond();
// std::cout << i << " " <<p << " ComputeProj "<<norm2(ComputeProj[p])<<std::endl;
}
// One batched GEMM reads BLAS_V once for all npoint vectors.
tproj-=usecond();
Projector.blockProject(MphaV_batch, proj_batch);
std::cout << GridLogMessage<< "CoarsenMatrixColoured vec "<<i<<" blockProject done"<< std::endl;
for(int p=0;p<npoint;p++)
ComputeProj[p] = conjugate(pha[p]) * proj_batch[p];
tproj+=usecond();
std::cout << GridLogMessage<< "CoarsenMatrixColoured vec "<<i<<" proj done"<< std::endl;
tinv-=usecond();
for(int k=0;k<npoint;k++){
@@ -580,14 +625,13 @@ public:
for(int l=0;l<npoint;l++){
FT[k]= FT[k]+ invMkl(l,k)*ComputeProj[l];
}
int osites=CoarseGrid()->oSites();
autoView( A_v , _A[k], AcceleratorWrite);
autoView( FT_v , FT[k], AcceleratorRead);
accelerator_for(sss, osites, 1, {
for(int j=0;j<nbasis;j++){
A_v[sss](i,j) = FT_v[sss](j);
}
accelerator_for(sss, osites, nbasis, {
int j = acceleratorSIMTlane(nbasis);
A_v[sss](i,j) = FT_v[sss](j);
});
}
tinv+=usecond();
@@ -595,13 +639,13 @@ public:
// Only needed if nonhermitian
if ( ! hermitian ) {
// std::cout << GridLogMessage<<"PopulateAdag "<<std::endl;
// PopulateAdag();
std::cout << GridLogMessage<<"PopulateAdag "<<std::endl;
PopulateAdag();
}
for(int p=0;p<geom.npoint;p++){
std::cout << " _A["<<p<<"] "<<norm2(_A[p])<<std::endl;
}
// for(int p=0;p<geom.npoint;p++){
// std::cout << " _A["<<p<<"] "<<norm2(_A[p])<<std::endl;
// }
// Need to write something to populate Adag from A
ExchangeCoarseLinks();
@@ -616,7 +660,7 @@ public:
void ExchangeCoarseLinks(void){
for(int p=0;p<geom.npoint;p++){
_A[p] = Cell.ExchangePeriodic(_A[p]);
// _Adag[p]= Cell.ExchangePeriodic(_Adag[p]);
if ( !hermitian ) _Adag[p]= Cell.ExchangePeriodic(_Adag[p]);
}
}
virtual void Mdiag (const Field &in, Field &out){ GRID_ASSERT(0);};
+4 -6
View File
@@ -63,12 +63,10 @@ void MemoryManager::PrintBytes(void)
std::cout << " MemoryManager : "<<(total_device>>20)<<" accelerator Mbytes "<<std::endl;
std::cout << " MemoryManager : "<<(total_host>>20) <<" cpu Mbytes "<<std::endl;
uint64_t cacheBytes;
cacheBytes = CacheBytes[Cpu];
std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" cpu cache Mbytes "<<std::endl;
cacheBytes = CacheBytes[Acc];
std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" acc cache Mbytes "<<std::endl;
cacheBytes = CacheBytes[Shared];
std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" shared cache Mbytes "<<std::endl;
cacheBytes = HostCacheBytes();
std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" cpu alloc cache Mbytes "<<std::endl;
cacheBytes = DeviceCacheBytes();
std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" acc alloc cache Mbytes "<<std::endl;
#ifdef GRID_CUDA
cuda_mem();
+2 -1
View File
@@ -113,7 +113,7 @@ private:
static void *Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim,uint64_t &cbytes) ;
static void *Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache,uint64_t &cbytes) ;
public:
public:
static void PrintBytes(void);
static void Audit(std::string s);
static void Init(void);
@@ -215,6 +215,7 @@ private:
static void NotifyDeletion(void * CpuPtr);
static void Print(void);
static void PrintAll(void);
static void EvictAll(void);
static void PrintState( void* CpuPtr);
static int isOpen (void* CpuPtr);
static void ViewClose(void* CpuPtr,ViewMode mode);
+55 -8
View File
@@ -79,6 +79,25 @@ void MemoryManager::EntryErase(uint64_t CpuPtr)
auto AccCache = EntryLookup(CpuPtr);
AccViewTable.erase(CpuPtr);
}
/////////////////////////////////////////////////////////////////////////////////
// LRU membership invariant:
//
// LRU_valid == 1 <=> AccPtr != NULL && accLock == 0 && cpuLock == 0
//
// i.e. the LRU queue contains exactly the device-resident, completely unlocked
// entries -- the evictable set. Membership is maintained EAGERLY at the lock
// 0<->1 edges, O(1) via the stored LRU_entry iterator:
//
// AcceleratorViewOpen lock 0->1 : LRUremove (gated on LRU_valid)
// AcceleratorViewClose accLock->0: LRUinsert (AccPtr necessarily exists)
// CpuViewOpen lock 0->1 : LRUremove (gated on LRU_valid)
// CpuViewClose cpuLock->0: LRUinsert (iff AccPtr exists)
// Evict/AccDiscard : LRUremove (frees the device copy)
//
// Consequences: victims taken from LRU.back() are evictable by construction;
// Evict() on a locked entry is an invariant violation (asserted), and the
// eviction loops (EvictVictims/EvictAll) cannot spin.
/////////////////////////////////////////////////////////////////////////////////
void MemoryManager::LRUinsert(AcceleratorViewEntry &AccCache)
{
GRID_ASSERT(AccCache.LRU_valid==0);
@@ -130,21 +149,21 @@ void MemoryManager::Evict(AcceleratorViewEntry &AccCache)
{
///////////////////////////////////////////////////////////////////////////
// Make CPU consistent, remove from Accelerator, remove from LRU, LEAVE CPU only entry
// Cannot be acclocked. If allocated must be in LRU pool.
// Cannot be locked. If allocated must be in LRU pool.
//
// Nov 2022... Felix issue: Allocating two CpuPtrs, can have an entry in LRU-q with CPUlock.
// and require to evict the AccPtr copy. Eviction was a mistake in CpuViewOpen
// but there is a weakness where CpuLock entries are attempted for erase
// Take these OUT LRU queue when CPU locked?
// Cannot take out the table as cpuLock data is important.
// (Historical: a Nov 2022 incident (two CpuPtrs; eviction called from
// CpuViewOpen -- since excised) could present a cpuLocked entry here, and
// silent-return guards were added. The LRU membership invariant (see
// LRUinsert) now excludes ALL locked entries from the queue eagerly at the
// lock edges, so a locked victim is an invariant violation: asserted.)
///////////////////////////////////////////////////////////////////////////
GRID_ASSERT(AccCache.state!=Empty);
mprintf("MemoryManager: Evict CpuPtr %lx AccPtr %lx cpuLock %ld accLock %ld",
(uint64_t)AccCache.CpuPtr,(uint64_t)AccCache.AccPtr,
(uint64_t)AccCache.cpuLock,(uint64_t)AccCache.accLock);
if (AccCache.accLock!=0) return;
if (AccCache.cpuLock!=0) return;
GRID_ASSERT(AccCache.accLock==0);
GRID_ASSERT(AccCache.cpuLock==0);
if(AccCache.state==AccDirty) {
Flush(AccCache);
}
@@ -250,6 +269,19 @@ void MemoryManager::EvictVictims(uint64_t bytes)
}
}
}
void MemoryManager::EvictAll(void)
{
while(LRU.size()>0){
if ( DeviceLRUBytes > 0){
uint64_t victim = LRU.back(); // From the LRU
auto AccCacheIterator = EntryLookup(victim);
auto & AccCache = AccCacheIterator->second;
Evict(AccCache);
} else {
return;
}
}
}
uint64_t MemoryManager::AcceleratorViewOpen(uint64_t CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint)
{
////////////////////////////////////////////////////////////////////////////
@@ -383,6 +415,13 @@ void MemoryManager::CpuViewClose(uint64_t CpuPtr)
GRID_ASSERT(AccCache.accLock==0);
AccCache.cpuLock--;
// Return to LRU queue when fully unlocked -- mirrors AcceleratorViewClose.
// Asymmetry vs the Acc side: a device copy need not exist for a host view;
// only device-resident entries belong in the (evictable) LRU queue.
if( (AccCache.cpuLock==0) && (AccCache.AccPtr!=(uint64_t)NULL) ) {
dprintf("CpuViewClose %lx cpuLock decremented to zero, move to LRU queue",(uint64_t)CpuPtr);
LRUinsert(AccCache);
}
}
/*
* Action State StateNext Flush Clone
@@ -449,6 +488,14 @@ uint64_t MemoryManager::CpuViewOpen(uint64_t CpuPtr,size_t bytes,ViewMode mode,V
GRID_ASSERT(0); // should be unreachable
}
GRID_ASSERT(AccCache.cpuLock>0);
// If view is opened on host must remove from LRU -- mirrors AcceleratorViewOpen.
// LRU_valid==1 here implies this is the 0->1 lock edge of a device-resident entry.
if(AccCache.LRU_valid==1){
dprintf("CpuViewOpen: entry removed from LRU ");
LRUremove(AccCache);
}
AccCache.transient= transient? EvictNext : 0;
return AccCache.CpuPtr;
+10
View File
@@ -238,6 +238,16 @@ public:
}
void AllToAll(int dim ,void *in,void *out,uint64_t words,uint64_t bytes);
void AllToAll(void *in,void *out,uint64_t words ,uint64_t bytes);
////////////////////////////////////////////////////////////////////////////
// Variable count all to all. Counts and displacements are in units of
// "bytes" sized words and are indexed by rank within this communicator.
// For exchanges that are a permutation but do not divide evenly between
// ranks; AllToAll above is the uniform count special case.
////////////////////////////////////////////////////////////////////////////
void AllToAllV(void *in ,const std::vector<int> &sendcounts,const std::vector<int> &senddispls,
void *out,const std::vector<int> &recvcounts,const std::vector<int> &recvdispls,
uint64_t bytes);
template<class obj> void Broadcast(int root,obj &data)
{
+20
View File
@@ -945,5 +945,25 @@ void CartesianCommunicator::AllToAll(void *in,void *out,uint64_t words,uint64_t
MPI_Alltoall(in,iwords,object,out,iwords,object,communicator);
MPI_Type_free(&object);
}
void CartesianCommunicator::AllToAllV(void *in ,const std::vector<int> &sendcounts,const std::vector<int> &senddispls,
void *out,const std::vector<int> &recvcounts,const std::vector<int> &recvdispls,
uint64_t bytes)
{
FlightRecorder::StepLog("AllToAllV");
GRID_ASSERT(sendcounts.size()==(size_t)_Nprocessors);
GRID_ASSERT(senddispls.size()==(size_t)_Nprocessors);
GRID_ASSERT(recvcounts.size()==(size_t)_Nprocessors);
GRID_ASSERT(recvdispls.size()==(size_t)_Nprocessors);
// MPI counts are "int"; the caller sizes the word to keep them in range
int ibytes = bytes;
GRID_ASSERT(bytes == (uint64_t)ibytes);
MPI_Datatype object;
MPI_Type_contiguous(ibytes,MPI_BYTE,&object);
MPI_Type_commit(&object);
int ierr = MPI_Alltoallv(in ,(int *)&sendcounts[0],(int *)&senddispls[0],object,
out,(int *)&recvcounts[0],(int *)&recvdispls[0],object,communicator);
GRID_ASSERT(ierr==0);
MPI_Type_free(&object);
}
NAMESPACE_END(Grid);
+11
View File
@@ -113,6 +113,17 @@ void CartesianCommunicator::AllToAll(void *in,void *out,uint64_t words,uint64_t
{
bcopy(in,out,bytes*words);
}
void CartesianCommunicator::AllToAllV(void *in ,const std::vector<int> &sendcounts,const std::vector<int> &senddispls,
void *out,const std::vector<int> &recvcounts,const std::vector<int> &recvdispls,
uint64_t bytes)
{
// Single rank: the exchange degenerates to a copy of our own segment
GRID_ASSERT(sendcounts.size()==1);
GRID_ASSERT(recvcounts.size()==1);
GRID_ASSERT(sendcounts[0]==recvcounts[0]);
bcopy((char *)in +(uint64_t)senddispls[0]*bytes,
(char *)out+(uint64_t)recvdispls[0]*bytes,bytes*(uint64_t)sendcounts[0]);
}
int CartesianCommunicator::RankWorld(void){return 0;}
void CartesianCommunicator::Barrier(void){}
+2 -2
View File
@@ -289,7 +289,7 @@ public:
///////////////////////////////////////////
// move constructor
///////////////////////////////////////////
Lattice(Lattice && r){
Lattice(Lattice && r) noexcept {
this->_grid = r.Grid();
this->_odata = r._odata;
this->_odata_size = r._odata_size;
@@ -330,7 +330,7 @@ public:
///////////////////////////////////////////
// Move assignment possible if same type
///////////////////////////////////////////
inline Lattice<vobj> & operator = (Lattice<vobj> && r){
inline Lattice<vobj> & operator = (Lattice<vobj> && r) noexcept {
resize(0); // deletes if appropriate
this->_grid = r.Grid();
+6
View File
@@ -438,5 +438,11 @@ inline typename vobj::scalar_object sum_gpu_large(const vobj *lat, Integer osite
result = sumD_gpu_large(lat,osites);
return result;
}
template<class Word> Word checksum_gpu(Word *vec,uint64_t L)
{
Word w;
bzero(&w,sizeof(w));
return w;
}
NAMESPACE_END(Grid);
+62
View File
@@ -124,6 +124,68 @@ Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > Inverse(const Lattice<iScala
return ret;
}
template<int N>
Lattice<iMatrix<iScalar<iScalar<iScalar<vComplexD> > > , N> > Inverse(const Lattice<iMatrix<iScalar<iScalar<iScalar<vComplexD> > >, N> > &Umu)
{
GridBase *grid=Umu.Grid();
auto lvol = grid->lSites();
Lattice<iMatrix<iScalar<iScalar<iScalar<vComplexD> > >, N > > ret(grid);
autoView(Umu_v,Umu,CpuRead);
autoView(ret_v,ret,CpuWrite);
thread_for(site,lvol,{
Eigen::MatrixXcd EigenU = Eigen::MatrixXcd::Zero(N,N);
Coordinate lcoor;
grid->LocalIndexToLocalCoor(site, lcoor);
iMatrix<iScalar<iScalar<iScalar<ComplexD> > >, N > Us;
iMatrix<iScalar<iScalar<iScalar<ComplexD> > >, N > Ui;
peekLocalSite(Us, Umu_v, lcoor);
for(int i=0;i<N;i++){
for(int j=0;j<N;j++){
EigenU(i,j) = Us(i,j)()()();
}}
Eigen::MatrixXcd EigenUinv = EigenU.inverse();
for(int i=0;i<N;i++){
for(int j=0;j<N;j++){
Ui(i,j)()()() = EigenUinv(i,j);
}}
pokeLocalSite(Ui,ret_v,lcoor);
});
return ret;
}
template<int N>
Lattice<iMatrix<iScalar<iScalar<iScalar<iScalar<vComplexD> > > > , N> > Inverse(const Lattice<iMatrix<iScalar<iScalar<iScalar<iScalar<vComplexD> > > >, N> > &Umu)
{
GridBase *grid=Umu.Grid();
auto lvol = grid->lSites();
Lattice<iMatrix<iScalar<iScalar<iScalar<iScalar<vComplexD> > > >, N > > ret(grid);
autoView(Umu_v,Umu,CpuRead);
autoView(ret_v,ret,CpuWrite);
thread_for(site,lvol,{
Eigen::MatrixXcd EigenU = Eigen::MatrixXcd::Zero(N,N);
Coordinate lcoor;
grid->LocalIndexToLocalCoor(site, lcoor);
iMatrix<iScalar<iScalar<iScalar<iScalar<ComplexD> > > >, N > Us;
iMatrix<iScalar<iScalar<iScalar<iScalar<ComplexD> > > >, N > Ui;
peekLocalSite(Us, Umu_v, lcoor);
for(int i=0;i<N;i++){
for(int j=0;j<N;j++){
EigenU(i,j) = Us(i,j)()()()();
}}
Eigen::MatrixXcd EigenUinv = EigenU.inverse();
for(int i=0;i<N;i++){
for(int j=0;j<N;j++){
Ui(i,j)()()()() = EigenUinv(i,j);
}}
pokeLocalSite(Ui,ret_v,lcoor);
});
return ret;
}
NAMESPACE_END(Grid);
#endif
+4
View File
@@ -2,3 +2,7 @@
int Grid::BinaryIO::latticeWriteMaxRetry = -1;
Grid::BinaryIO::IoPerf Grid::BinaryIO::lastPerf;
// Target size of a single contiguous file extent under BINARYIO_AGGREGATE.
// 4MB is around the knee for Lustre; exposed so it can be swept at runtime.
uint64_t Grid::BinaryIO::aggregateTargetBytes = 4*1024*1024;
+453 -12
View File
@@ -39,6 +39,7 @@
#endif
#include <arpa/inet.h>
#include <sys/stat.h>
#include <algorithm>
NAMESPACE_BEGIN(Grid);
@@ -87,6 +88,7 @@ class BinaryIO {
static IoPerf lastPerf;
static int latticeWriteMaxRetry;
static uint64_t aggregateTargetBytes;
/////////////////////////////////////////////////////////////////////////////
// more byte manipulation helpers
@@ -253,12 +255,392 @@ class BinaryIO {
// Read or Write distributed lexico array of ANY object to a specific location in file
//////////////////////////////////////////////////////////////////////////////////////
static const int BINARYIO_AGGREGATE = 0x20;
static const int BINARYIO_MASTER_APPEND = 0x10;
static const int BINARYIO_UNORDERED = 0x08;
static const int BINARYIO_LEXICOGRAPHIC = 0x04;
static const int BINARYIO_READ = 0x02;
static const int BINARYIO_WRITE = 0x01;
#ifdef USE_MPI_IO
/////////////////////////////////////////////////////////////////////////////
// Aggregation: self controlled transposition onto an I/O friendly layout.
//
// Under BINARYIO_LEXICOGRAPHIC the subarray file view handed to MPI-IO has
// contiguous runs of only lLattice[0]*sizeof(fobj) bytes -- a few KB for
// typical local volumes. Rather than rely on collective buffering to repair
// that, redistribute the payload ourselves so every rank owns a contiguous
// range of the global lexicographic site ordering, then issue large plain
// contiguous writes.
//
// "Un-splitting" the nunsplit fastest dimensions means the row of ranks
// sharing the remaining process coordinates collectively owns whole global
// hyperplanes. All data movement is then confined to that row communicator.
// Every rank still owns exactly lSites() sites afterwards, so the exchange is
// a pure permutation and needs no divisibility condition on the process grid.
/////////////////////////////////////////////////////////////////////////////
struct AggregationPlan {
int nunsplit{0}; // number of fastest dimensions un-split
int rowsize{0}; // ranks in the aggregation (row) communicator
int rowrank{0}; // our logical (lexicographic) index within the row
uint64_t lsites{0}; // sites per rank -- invariant under the permutation
uint64_t chunk{0}; // sites in one globally contiguous run owned by the row
std::unique_ptr<CartesianCommunicator> rowcomm;
// counts and displacements are indexed by rank within rowcomm
std::vector<int> sendcounts, senddispls, recvcounts, recvdispls;
std::vector<uint64_t> scatter; // recv slot -> slot in the aggregated buffer
std::vector<uint64_t> extentGsite; // global lex site index of extent start
std::vector<uint64_t> extentLocal; // offset of extent within aggregated buffer
std::vector<uint64_t> extentSites; // sites in this extent
};
static inline void BuildAggregationPlan(GridBase *grid,uint64_t fobjSize,AggregationPlan &p)
{
int ndim = grid->Dimensions();
Coordinate psizes = grid->ProcessorGrid();
Coordinate pcoor = grid->ThisProcessorCoor();
Coordinate gLattice= grid->GlobalDimensions();
Coordinate lLattice= grid->LocalDimensions();
Coordinate lstart = grid->LocalStarts();
uint64_t lsites = grid->lSites();
p.lsites = lsites;
//////////////////////////////////////////////////////////////////////////
// Un-splitting dims 0..k-1 gives the row a contiguous run of
// chunk(k) = prod_{d<k} gLattice[d] * lLattice[k]
// sites, and each rank writes extents of min(chunk,lsites). Take the
// smallest k that reaches the target so we disturb as few dimensions --
// and move as little data -- as possible.
//////////////////////////////////////////////////////////////////////////
int k = ndim-1;
for(int trial=1; trial<ndim; trial++){
uint64_t chunk = lLattice[trial];
for(int d=0; d<trial; d++) chunk *= gLattice[d];
if ( std::min(chunk,lsites)*fobjSize >= aggregateTargetBytes ) { k = trial; break; }
}
p.nunsplit = k;
//////////////////////////////////////////////////////////////////////////
// The box the row collectively owns, expressed in global coordinates.
// Restricting the global lexicographic order to this box preserves the
// ordering, so the row index below is monotone in the global index.
//////////////////////////////////////////////////////////////////////////
Coordinate B(ndim), S(ndim);
for(int d=0; d<ndim; d++){
if ( d<k ) { B[d] = gLattice[d]; S[d] = 0; }
else { B[d] = lLattice[d]; S[d] = lstart[d]; }
}
uint64_t chunk = lLattice[k];
for(int d=0; d<k; d++) chunk *= gLattice[d];
p.chunk = chunk;
//////////////////////////////////////////////////////////////////////////
// Row communicator: the ranks sharing the process coordinates of the slow
// (still split) dimensions. This is the sub-division the Cartesian
// communicator already performs for AllToAll(dim,...), widened from one
// dimension to the k fastest.
//////////////////////////////////////////////////////////////////////////
Coordinate row(ndim,1);
for(int d=0; d<k; d++) row[d] = psizes[d];
int srank;
p.rowcomm.reset(new CartesianCommunicator(row,*grid,srank));
p.rowsize = p.rowcomm->ProcessorCount();
//////////////////////////////////////////////////////////////////////////
// Our logical index in the row is the forward lexicographic index of the
// un-split process coordinates, so that increasing logical index means
// increasing global lexicographic position in the file. The communicator
// numbers its own ranks by the reversed (MPI) convention, so build the map
// between the two rather than assuming either.
//////////////////////////////////////////////////////////////////////////
int64_t logical=0, lstride=1;
for(int d=0; d<k; d++){ logical += pcoor[d]*lstride; lstride *= psizes[d]; }
GRID_ASSERT(lstride == (int64_t)p.rowsize);
p.rowrank = (int)logical;
std::vector<uint64_t> commOf(p.rowsize,0);
commOf[p.rowrank] = (uint64_t)p.rowcomm->ThisRank();
p.rowcomm->GlobalSumVector(&commOf[0],p.rowsize);
uint64_t mystart = (uint64_t)p.rowrank * lsites;
uint64_t myend = mystart + lsites;
Coordinate lcoor(ndim), bcoor(ndim), gcoor(ndim);
//////////////////////////////////////////////////////////////////////////
// Send side. Walking our local sites in local lexicographic order walks
// the row index monotonically, so the send buffer is iodata untouched and
// we need only the per destination counts.
//////////////////////////////////////////////////////////////////////////
std::vector<int> sendLogical(p.rowsize,0);
for(uint64_t L=0; L<lsites; L++){
Lexicographic::CoorFromIndex(lcoor,L,lLattice);
for(int d=0; d<ndim; d++) bcoor[d] = (d<k) ? (lstart[d]+lcoor[d]) : lcoor[d];
int64_t ri; Lexicographic::IndexFromCoor(bcoor,ri,B);
sendLogical[ ri/(int64_t)lsites ]++;
}
p.sendcounts.assign(p.rowsize,0);
p.senddispls.assign(p.rowsize,0);
{ int64_t disp=0;
for(int d=0; d<p.rowsize; d++){ // send buffer is in logical order
int c = (int)commOf[d];
p.sendcounts[c] = sendLogical[d];
p.senddispls[c] = (int)disp;
disp += sendLogical[d];
}
}
//////////////////////////////////////////////////////////////////////////
// Receive side. For each slot of our aggregated range work out which rank
// of the row owns it. Within one source the slots arrive in increasing row
// index order, which is the order the source sends them in.
//////////////////////////////////////////////////////////////////////////
std::vector<int> recvLogical(p.rowsize,0), recvDisplLogical(p.rowsize,0);
std::vector<int> source(lsites);
for(uint64_t pos=0; pos<lsites; pos++){
Lexicographic::CoorFromIndex(bcoor,(int64_t)(mystart+pos),B);
int64_t j=0, jstride=1;
for(int d=0; d<k; d++){ j += (bcoor[d]/lLattice[d])*jstride; jstride *= psizes[d]; }
source[pos] = (int)j;
recvLogical[j]++;
}
p.recvcounts.assign(p.rowsize,0);
p.recvdispls.assign(p.rowsize,0);
{ int64_t disp=0;
for(int s=0; s<p.rowsize; s++){ // recv buffer is in logical order
int c = (int)commOf[s];
recvDisplLogical[s] = (int)disp;
p.recvcounts[c] = recvLogical[s];
p.recvdispls[c] = (int)disp;
disp += recvLogical[s];
}
}
p.scatter.resize(lsites);
{
std::vector<int> fill(p.rowsize,0);
for(uint64_t pos=0; pos<lsites; pos++){
int j = source[pos];
p.scatter[ recvDisplLogical[j] + fill[j]++ ] = pos;
}
}
//////////////////////////////////////////////////////////////////////////
// The two sides are derived independently; make them check each other.
//////////////////////////////////////////////////////////////////////////
{
std::vector<uint64_t> sendc(p.rowsize),recvc(p.rowsize);
for(int c=0;c<p.rowsize;c++) sendc[c]=(uint64_t)p.sendcounts[c];
p.rowcomm->AllToAll(&sendc[0],&recvc[0],1,sizeof(uint64_t));
for(int c=0;c<p.rowsize;c++) GRID_ASSERT((int)recvc[c]==p.recvcounts[c]);
}
//////////////////////////////////////////////////////////////////////////
// Decompose our range into globally contiguous file extents.
//////////////////////////////////////////////////////////////////////////
for(uint64_t c = mystart/chunk; c <= (myend-1)/chunk; c++){
uint64_t lo = std::max(mystart, c*chunk);
uint64_t hi = std::min(myend, (c+1)*chunk);
Lexicographic::CoorFromIndex(bcoor,(int64_t)(c*chunk),B);
for(int d=0;d<ndim;d++) gcoor[d] = (d<k) ? bcoor[d] : bcoor[d]+S[d];
int64_t gbase; Lexicographic::IndexFromCoor(gcoor,gbase,gLattice);
p.extentGsite.push_back( (uint64_t)gbase + (lo - c*chunk) );
p.extentLocal.push_back( lo - mystart );
p.extentSites.push_back( hi - lo );
}
}
static inline void ReportAggregationPlan(GridBase *grid,const AggregationPlan &p,uint64_t fobjSize,const char *what)
{
if ( !grid->IsBoss() ) return;
std::cout << GridLogMessage << "IOobject: aggregate " << what
<< " un-splitting " << p.nunsplit << " fastest dimensions, row of "
<< p.rowsize << " ranks" << std::endl;
std::cout << GridLogMessage << "IOobject: aggregate " << p.extentSites.size()
<< " extent(s)/rank, first " << p.extentSites[0]*fobjSize/1024./1024. << " MB"
<< " (target " << aggregateTargetBytes/1024./1024. << " MB)" << std::endl;
std::cout << GridLogMessage << "IOobject: aggregate buffer overhead "
<< p.lsites*fobjSize/1024./1024. << " MB/rank" << std::endl;
}
////////////////////////////////////////////////////////////////////////////
// Stage timings. The interesting quantity is the slowest rank, since every
// stage is followed sooner or later by a synchronisation, so reduce with
// GlobalMax rather than reporting whatever the boss happened to see.
////////////////////////////////////////////////////////////////////////////
static inline void ReportStages(GridBase *grid,const char *what,
const std::vector<const char *> &names,
std::vector<RealD> &useconds)
{
GRID_ASSERT(names.size()==useconds.size());
for(uint64_t i=0;i<useconds.size();i++) grid->GlobalMax(useconds[i]);
if ( grid->IsBoss() ) {
std::cout << GridLogMessage << "IOobject: aggregate " << what << " stages (max over ranks, s):";
for(uint64_t i=0;i<names.size();i++)
std::cout << " " << names[i] << " " << useconds[i]/1.0e6;
std::cout << std::endl;
}
}
template<class fobj>
static inline void AggregateExchange(GridBase *grid,AggregationPlan &p,std::vector<fobj> &iodata,
std::vector<fobj> &aggregated,int forward)
{
uint64_t lsites = p.lsites;
GridStopWatch talloc,tperm,tcomm;
talloc.Start();
std::vector<fobj> tmp(lsites);
talloc.Stop();
if ( forward ) { // iodata (local order) -> aggregated (lexicographic order)
tcomm.Start();
p.rowcomm->AllToAllV(&iodata[0],p.sendcounts,p.senddispls,
&tmp[0], p.recvcounts,p.recvdispls,sizeof(fobj));
tcomm.Stop();
tperm.Start();
thread_for(s,lsites,{ aggregated[p.scatter[s]] = tmp[s]; });
tperm.Stop();
} else { // aggregated -> iodata, the exact mirror
tperm.Start();
thread_for(s,lsites,{ tmp[s] = aggregated[p.scatter[s]]; });
tperm.Stop();
tcomm.Start();
p.rowcomm->AllToAllV(&tmp[0], p.recvcounts,p.recvdispls,
&iodata[0],p.sendcounts,p.senddispls,sizeof(fobj));
tcomm.Stop();
}
std::vector<RealD> us = { (RealD)talloc.useconds(), (RealD)tperm.useconds(), (RealD)tcomm.useconds() };
ReportStages(grid,forward?"exchange (write)":"exchange (read)",
{"alloc","permute","alltoallv"},us);
}
template<class fobj>
static inline void AggregateWrite(GridBase *grid,AggregationPlan &p,std::vector<fobj> &aggregated,
std::string file,uint64_t offset)
{
//////////////////////////////////////////////////////////////////////////
// All ranks write concurrently into a shared file, so the file must exist
// before any of them open it for update, but it does NOT have to be the
// right length first: the extents tile the record exactly, so writing them
// extends a short file to precisely offset+payload.
//
// Records are created in sequence, so this payload ends the file: the
// length must end up precisely offset+payload. Anything beyond is left
// over from whatever the file previously held and must not survive -- a
// shorter new record written over a longer old one would otherwise leave
// a trailing fragment of the previous contents masquerading as data.
// That is the only case needing a truncate, so stat first and truncate
// afterwards only when the size actually came out wrong. Measured on
// Frontier, an unconditional truncate up front cost 0.22 to 5.4 s per
// record -- 15 to 25% of a 19 GB write and 100% of a small one -- while
// create, open and close together cost a few milliseconds. It is per
// record, so multi record files do not amortise it away.
//
// ::truncate is used because the C++ standard library cannot express this.
// std::filebuf has no length operation at all; ios::trunc only truncates to
// zero; seeking past the end and writing a byte can grow a file but never
// shrink one; and there is no portable way to recover a descriptor from a
// stream in order to call ftruncate. C++17 does finally offer
// std::filesystem::resize_file, but that would be Grid's first <filesystem>
// dependency and needs -lstdc++fs on the older toolchains still in use.
//////////////////////////////////////////////////////////////////////////
GridStopWatch tcreate,ttrunc,tbar,topen,twrite,tclose,tskew;
uint64_t need = offset + (uint64_t)grid->_gsites*sizeof(fobj);
tcreate.Start();
if ( grid->IsBoss() ) {
// opening for update needs the file to exist; create one only if not
std::fstream probe(file,std::ios::binary|std::ios::out|std::ios::in);
if ( !probe.is_open() ) {
std::ofstream create(file,std::ios::binary|std::ios::out);
create.close();
}
}
tcreate.Stop();
tbar.Start();
grid->Barrier();
tbar.Stop();
std::ofstream fout;
fout.exceptions( std::fstream::failbit | std::fstream::badbit );
try {
topen.Start();
fout.open(file,std::ios::binary|std::ios::out|std::ios::in);
topen.Stop();
twrite.Start();
for(uint64_t e=0;e<p.extentSites.size();e++){
fout.seekp(offset + p.extentGsite[e]*sizeof(fobj));
fout.write((char *)&aggregated[p.extentLocal[e]],p.extentSites[e]*sizeof(fobj));
}
twrite.Stop();
tclose.Start();
fout.close(); // flushes the stream buffer; does not force writeback
tclose.Stop();
} catch (const std::fstream::failure& exc) {
std::cout << GridLogError << "Error in aggregate write to " << file << std::endl;
std::cout << GridLogError << "Exception description: " << exc.what() << std::endl;
GridAbort();
}
////////////////////////////////////////////////////////////////////////
// Timed apart from the truncate that follows it. seek+write above is the
// slowest rank; this barrier is what the fastest rank then waits, so the
// pair separates the write cost from the spread across ranks. Folding it
// into the truncate makes a millisecond stat look like a second.
////////////////////////////////////////////////////////////////////////
tskew.Start();
grid->Barrier(); // every extent must be on its way first
tskew.Stop();
ttrunc.Start();
if ( grid->IsBoss() ) {
struct stat sb;
int ierr = ::stat(file.c_str(),&sb);
GRID_ASSERT(ierr==0);
if ( (uint64_t)sb.st_size != need ) { // only when a longer record preceded us
ierr = ::truncate(file.c_str(),(off_t)need);
GRID_ASSERT(ierr==0);
}
}
grid->Barrier();
ttrunc.Stop();
std::vector<RealD> us = { (RealD)tcreate.useconds(), (RealD)tbar.useconds(),
(RealD)topen.useconds(), (RealD)twrite.useconds(),
(RealD)tclose.useconds(), (RealD)tskew.useconds(),
(RealD)ttrunc.useconds() };
ReportStages(grid,"write",{"create","barrier","open","seek+write","close","skew","stat+truncate"},us);
}
template<class fobj>
static inline void AggregateRead(GridBase *grid,AggregationPlan &p,std::vector<fobj> &aggregated,
std::string file,uint64_t offset)
{
GridStopWatch topen,tread,tclose;
std::ifstream fin;
topen.Start();
fin.open(file,std::ios::binary|std::ios::in);
topen.Stop();
tread.Start();
for(uint64_t e=0;e<p.extentSites.size();e++){
fin.seekg(offset + p.extentGsite[e]*sizeof(fobj));
fin.read((char *)&aggregated[p.extentLocal[e]],p.extentSites[e]*sizeof(fobj));
GRID_ASSERT(fin.fail()==0);
}
tread.Stop();
tclose.Start();
fin.close();
tclose.Stop();
std::vector<RealD> us = { (RealD)topen.useconds(), (RealD)tread.useconds(), (RealD)tclose.useconds() };
ReportStages(grid,"read",{"open","seek+read","close"},us);
}
#endif
template<class word,class fobj>
static inline void IOobject(word w,
GridBase *grid,
@@ -302,6 +684,18 @@ class BinaryIO {
lStart[d] = 0;
}
//////////////////////////////////////////////////////////////////////////////
// Aggregate the lexicographic layout onto contiguous per rank extents
// ourselves rather than leaving it to MPI-IO collective buffering
//////////////////////////////////////////////////////////////////////////////
int aggregate = (control & BINARYIO_AGGREGATE)
&& (control & BINARYIO_LEXICOGRAPHIC)
&& !(control & BINARYIO_MASTER_APPEND)
&& (nrank > 1);
#ifndef USE_MPI_IO
GRID_ASSERT(aggregate==0); // BINARYIO_AGGREGATE requires MPI
#endif
#ifdef USE_MPI_IO
std::vector<int> distribs(ndim,MPI_DISTRIBUTE_BLOCK);
std::vector<int> dargs (ndim,MPI_DISTRIBUTE_DFLT_DARG);
@@ -329,6 +723,8 @@ class BinaryIO {
ierr = MPI_Type_contiguous(numword,mpiword,&mpiObject); GRID_ASSERT(ierr==0);
ierr = MPI_Type_commit(&mpiObject);
// The subarray view is what aggregation exists to avoid; do not build it
if ( !aggregate ) {
//////////////////////////////////////////////////////////////////////////////
// File global array data type
//////////////////////////////////////////////////////////////////////////////
@@ -340,6 +736,7 @@ class BinaryIO {
//////////////////////////////////////////////////////////////////////////////
ierr=MPI_Type_create_subarray(ndim,&lLattice[0],&lLattice[0],&lStart[0],MPI_ORDER_FORTRAN, mpiObject,&localArray); GRID_ASSERT(ierr==0);
ierr=MPI_Type_commit(&localArray); GRID_ASSERT(ierr==0);
}
#endif
//////////////////////////////////////////////////////////////////////////////
@@ -358,7 +755,19 @@ class BinaryIO {
timer.Start();
if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
if ( aggregate ) {
#ifdef USE_MPI_IO
std::cout<< GridLogMessage<<"IOobject: aggregate read I/O "<< file<< std::endl;
AggregationPlan plan;
BuildAggregationPlan(grid,sizeof(fobj),plan);
ReportAggregationPlan(grid,plan,sizeof(fobj),"read");
std::vector<fobj> aggregated(lsites);
AggregateRead(grid,plan,aggregated,file,offset);
AggregateExchange(grid,plan,iodata,aggregated,0);
#else
GRID_ASSERT(0);
#endif
} else if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
#ifdef USE_MPI_IO
std::cout<< GridLogMessage<<"IOobject: MPI read I/O "<< file<< std::endl;
ierr=MPI_File_open(grid->communicator,(char *) file.c_str(), MPI_MODE_RDONLY, MPI_INFO_NULL, &fh); GRID_ASSERT(ierr==0);
@@ -416,7 +825,25 @@ class BinaryIO {
grid->Barrier();
timer.Start();
if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
if ( aggregate ) {
#ifdef USE_MPI_IO
std::cout << GridLogMessage <<"IOobject: aggregate write I/O " << file << std::endl;
AggregationPlan plan;
BuildAggregationPlan(grid,sizeof(fobj),plan);
ReportAggregationPlan(grid,plan,sizeof(fobj),"write");
std::vector<fobj> aggregated(lsites);
AggregateExchange(grid,plan,iodata,aggregated,1);
AggregateWrite(grid,plan,aggregated,file,offset);
////////////////////////////////////////////////////////////////////////
// Not every rank ends at the end of the payload, so the position can
// not be recovered from a file handle. Callers (Lime record chaining)
// rely on this being the first byte past the record.
////////////////////////////////////////////////////////////////////////
offset = offset + (uint64_t)grid->_gsites*sizeof(fobj);
#else
GRID_ASSERT(0);
#endif
} else if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
#ifdef USE_MPI_IO
std::cout << GridLogMessage <<"IOobject: MPI write I/O " << file << std::endl;
ierr = MPI_File_open(grid->communicator, (char *)file.c_str(), MPI_MODE_RDWR | MPI_MODE_CREATE, MPI_INFO_NULL, &fh);
@@ -461,12 +888,26 @@ class BinaryIO {
std::ofstream fout;
fout.exceptions ( std::fstream::failbit | std::fstream::badbit );
////////////////////////////////////////////////////////////////////
// Grid's model is that the boss rank performs the metadata
// operations and every other rank only seeks and writes into a file
// that already exists. Opening with ios::out on all ranks broke that:
// it is O_TRUNC, so a rank opening late truncated the file back to
// zero after an earlier rank had written its segment, leaving a hole
// in its place. The barriers around this block are outside it and do
// not order the opens against the writes. Let the boss create and
// empty the file, then everyone opens for update only. Same resulting
// length, one metadata operation instead of one per rank, no race.
////////////////////////////////////////////////////////////////////
if ( !offset && grid->IsBoss() ) { // offset zero: this record starts the file
std::ofstream create(file,std::ios::binary|std::ios::out);
create.close();
}
grid->Barrier();
try {
if (offset) { // Must already exist and contain data
fout.open(file,std::ios::binary|std::ios::out|std::ios::in);
} else { // Allow create
fout.open(file,std::ios::binary|std::ios::out);
}
fout.open(file,std::ios::binary|std::ios::out|std::ios::in);
} catch (const std::fstream::failure& exc) {
std::cout << GridLogError << "Error in opening the file " << file << " for output" <<std::endl;
std::cout << GridLogError << "Exception description: " << exc.what() << std::endl;
@@ -477,7 +918,7 @@ class BinaryIO {
exit(1);
#endif
}
if ( control & BINARYIO_MASTER_APPEND ) {
try {
fout.seekp(0,fout.end);
@@ -548,7 +989,7 @@ class BinaryIO {
uint32_t &nersc_csum,
uint32_t &scidac_csuma,
uint32_t &scidac_csumb,
int control=BINARYIO_LEXICOGRAPHIC
int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE
)
{
typedef typename vobj::scalar_object sobj;
@@ -587,7 +1028,7 @@ class BinaryIO {
uint32_t &nersc_csum,
uint32_t &scidac_csuma,
uint32_t &scidac_csumb,
int control=BINARYIO_LEXICOGRAPHIC)
int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE)
{
typedef typename vobj::scalar_object sobj;
typedef typename vobj::Realified::scalar_type word; word w=0;
@@ -674,7 +1115,7 @@ class BinaryIO {
std::cout << GridLogMessage << "RNG read I/O on file " << file << std::endl;
std::vector<RNGstate> iodata(lsites);
IOobject(w,grid,iodata,file,offset,format,BINARYIO_READ|BINARYIO_LEXICOGRAPHIC,
IOobject(w,grid,iodata,file,offset,format,BINARYIO_READ|BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE,
nersc_csum,scidac_csuma,scidac_csumb);
timer.Start();
@@ -753,7 +1194,7 @@ class BinaryIO {
});
timer.Stop();
IOobject(w,grid,iodata,file,offset,format,BINARYIO_WRITE|BINARYIO_LEXICOGRAPHIC,
IOobject(w,grid,iodata,file,offset,format,BINARYIO_WRITE|BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE,
nersc_csum,scidac_csuma,scidac_csumb);
iodata.resize(1);
{
+4 -4
View File
@@ -212,7 +212,7 @@ class GridLimeReader : public BinaryIO {
// Read a generic lattice field and verify checksum
////////////////////////////////////////////
template<class vobj>
void readLimeLatticeBinaryObject(Lattice<vobj> &field,std::string record_name,int control=BINARYIO_LEXICOGRAPHIC)
void readLimeLatticeBinaryObject(Lattice<vobj> &field,std::string record_name,int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE)
{
typedef typename vobj::scalar_object sobj;
scidacChecksum scidacChecksum_;
@@ -414,7 +414,7 @@ class GridLimeWriter : public BinaryIO
// in communicator used by the field.Grid()
////////////////////////////////////////////////////
template<class vobj>
void writeLimeLatticeBinaryObject(Lattice<vobj> &field,std::string record_name,int control=BINARYIO_LEXICOGRAPHIC)
void writeLimeLatticeBinaryObject(Lattice<vobj> &field,std::string record_name,int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE)
{
////////////////////////////////////////////////////////////////////
// NB: FILE and iostream are jointly writing disjoint sequences in the
@@ -519,7 +519,7 @@ class ScidacWriter : public GridLimeWriter {
template <class vobj, class userRecord>
void writeScidacFieldRecord(Lattice<vobj> &field,userRecord _userRecord,
const unsigned int recordScientificPrec = 0,
int control=BINARYIO_LEXICOGRAPHIC)
int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE)
{
GridBase * grid = field.Grid();
@@ -561,7 +561,7 @@ class ScidacReader : public GridLimeReader {
////////////////////////////////////////////////
template <class vobj, class userRecord>
void readScidacFieldRecord(Lattice<vobj> &field,userRecord &_userRecord,
int control=BINARYIO_LEXICOGRAPHIC)
int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE)
{
typedef typename vobj::scalar_object sobj;
GridBase * grid = field.Grid();
+3 -4
View File
@@ -51,8 +51,8 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
#endif
#ifdef __x86_64__
#ifdef GRID_CUDA
//accelerator_inline uint64_t __rdtsc(void) { return 0; }
//accelerator_inline uint64_t __rdpmc(int ) { return 0; }
accelerator_inline uint64_t __rdtsc(void) { return 0; }
accelerator_inline uint64_t __rdpmc(int ) { return 0; }
#else
#include <x86intrin.h>
#endif
@@ -93,8 +93,7 @@ inline uint64_t cyclecount(void){
}
#elif defined __x86_64__
inline uint64_t cyclecount(void){
uint64_t ret = __rdtsc();
return (uint64_t)ret;
return (uint64_t)0;
}
#else
+4 -4
View File
@@ -115,10 +115,10 @@ accelerator_inline ComplexF adj(const ComplexF& r ){ return(conjugate(r)); }
#if defined(GRID_CUDA) || defined(GRID_HIP)
//Provide for convenience
accelerator_inline std::complex<double> conjugate(const std::complex<double>& r){ return(conj(r)); }
accelerator_inline std::complex<float> conjugate(const std::complex<float>& r) { return(conj(r)); }
accelerator_inline std::complex<double> adj(const std::complex<double>& r) { return(conj(r)); }
accelerator_inline std::complex<float> adj(const std::complex<float>& r) { return(conj(r)); }
inline std::complex<double> conjugate(const std::complex<double>& r){ return(conj(r)); }
inline std::complex<float> conjugate(const std::complex<float>& r) { return(conj(r)); }
inline std::complex<double> adj(const std::complex<double>& r) { return(conj(r)); }
inline std::complex<float> adj(const std::complex<float>& r) { return(conj(r)); }
#endif
accelerator_inline RealF real(const RealF & r){ return r; }
+11 -40
View File
@@ -33,6 +33,7 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
using namespace std;
using namespace Grid;
;
int main (int argc, char ** argv)
{
@@ -96,49 +97,19 @@ int main (int argc, char ** argv)
RealD c2=-1.0/24.0;
RealD u0=1.0;
ImprovedStaggeredFermionD Ds(Umu,Umu,Grid,RBGrid,mass,c1,c2,u0,params);
NaiveStaggeredFermionD Dn(Umu,Grid,RBGrid,mass,c1,u0,params);
FermionField src_e(&RBGrid); pickCheckerboard(Even, src_e, src);
FermionField src_o(&RBGrid); pickCheckerboard(Odd, src_o, src);
FermionField res_e(&RBGrid); res_e = Zero();
std::cout<<GridLogMessage << "Calling Ds"<<std::endl;
int ncall=1000;
// ImprovedStaggered Dhop
for(int i=0;i<ncall;i++) Ds.Dhop(src,result,0);
double t0=usecond();
for(int i=0;i<ncall;i++) Ds.Dhop(src,result,0);
for(int i=0;i<ncall;i++){
Ds.Dhop(src,result,0);
}
double t1=usecond();
double flops=(16*(3*(6+8+8)) + 15*3*2)*volume*ncall; // 1146 flops/site
std::cout<<GridLogMessage << ncall << " ImprovedStaggered Dhop calls in "<< (t1-t0)<<" us"<<std::endl;
std::cout<<GridLogMessage << "ImprovedStaggered Dhop mflop/s = "<< flops/(t1-t0)<<std::endl;
// ImprovedStaggered DhopEO
for(int i=0;i<ncall;i++) Ds.DhopEO(src_o,res_e,0);
t0=usecond();
for(int i=0;i<ncall;i++) Ds.DhopEO(src_o,res_e,0);
t1=usecond();
flops=(16*(3*(6+8+8)) + 15*3*2)*(volume/2)*ncall;
std::cout<<GridLogMessage << ncall << " ImprovedStaggered DhopEO calls in "<< (t1-t0)<<" us"<<std::endl;
std::cout<<GridLogMessage << "ImprovedStaggered DhopEO mflop/s = "<< flops/(t1-t0)<<std::endl;
// NaiveStaggered Dhop
for(int i=0;i<ncall;i++) Dn.Dhop(src,result,0);
t0=usecond();
for(int i=0;i<ncall;i++) Dn.Dhop(src,result,0);
t1=usecond();
flops=(8*(3*(6+8+8)) + 7*3*2)*volume*ncall;
std::cout<<GridLogMessage << ncall << " NaiveStaggered Dhop calls in "<< (t1-t0)<<" us"<<std::endl;
std::cout<<GridLogMessage << "NaiveStaggered Dhop mflop/s = "<< flops/(t1-t0)<<std::endl;
// NaiveStaggered DhopEO
for(int i=0;i<ncall;i++) Dn.DhopEO(src_o,res_e,0);
t0=usecond();
for(int i=0;i<ncall;i++) Dn.DhopEO(src_o,res_e,0);
t1=usecond();
flops=(8*(3*(6+8+8)) + 7*3*2)*(volume/2)*ncall;
std::cout<<GridLogMessage << ncall << " NaiveStaggered DhopEO calls in "<< (t1-t0)<<" us"<<std::endl;
std::cout<<GridLogMessage << "NaiveStaggered DhopEO mflop/s = "<< flops/(t1-t0)<<std::endl;
double flops=(16*(3*(6+8+8)) + 15*3*2)*volume*ncall; // == 66*16 + == 1146
std::cout<<GridLogMessage << "Called Ds"<<std::endl;
std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
std::cout<<GridLogMessage << "mflop/s = "<< flops/(t1-t0)<<std::endl;
Grid_finalize();
}
+14 -37
View File
@@ -96,45 +96,22 @@ int main (int argc, char ** argv)
RealD c2=-1.0/24.0;
RealD u0=1.0;
ImprovedStaggeredFermionF Ds(Umu,Umu,Grid,RBGrid,mass,c1,c2,u0,params);
NaiveStaggeredFermionF Dn(Umu,Grid,RBGrid,mass,c1,u0,params);
FermionField src_e(&RBGrid); pickCheckerboard(Even, src_e, src);
FermionField src_o(&RBGrid); pickCheckerboard(Odd, src_o, src);
FermionField res_e(&RBGrid); res_e = Zero();
int ncall=10000;
// ImprovedStaggered Dhop
for(int i=0;i<ncall;i++) Ds.Dhop(src,result,0);
std::cout<<GridLogMessage << "Calling Ds"<<std::endl;
int ncall=1000;
for(int i=0;i<ncall;i++){
Ds.Dhop(src,result,0);
}
double t0=usecond();
for(int i=0;i<ncall;i++) Ds.Dhop(src,result,0);
for(int i=0;i<ncall;i++){
Ds.Dhop(src,result,0);
}
double t1=usecond();
double flops=(16*(3*(6+8+8)) + 15*3*2)*volume*ncall; // 1146 flops/site
std::cout<<GridLogMessage << "ImprovedStaggered Dhop mflop/s = "<< flops/(t1-t0)<<std::endl;
// ImprovedStaggered DhopEO
for(int i=0;i<ncall;i++) Ds.DhopEO(src_o,res_e,0);
t0=usecond();
for(int i=0;i<ncall;i++) Ds.DhopEO(src_o,res_e,0);
t1=usecond();
flops=(16*(3*(6+8+8)) + 15*3*2)*(volume/2)*ncall;
std::cout<<GridLogMessage << "ImprovedStaggered DhopEO mflop/s = "<< flops/(t1-t0)<<std::endl;
// NaiveStaggered Dhop
for(int i=0;i<ncall;i++) Dn.Dhop(src,result,0);
t0=usecond();
for(int i=0;i<ncall;i++) Dn.Dhop(src,result,0);
t1=usecond();
flops=(8*(3*(6+8+8)) + 7*3*2)*volume*ncall;
std::cout<<GridLogMessage << "NaiveStaggered Dhop mflop/s = "<< flops/(t1-t0)<<std::endl;
// NaiveStaggered DhopEO
for(int i=0;i<ncall;i++) Dn.DhopEO(src_o,res_e,0);
t0=usecond();
for(int i=0;i<ncall;i++) Dn.DhopEO(src_o,res_e,0);
t1=usecond();
flops=(8*(3*(6+8+8)) + 7*3*2)*(volume/2)*ncall;
std::cout<<GridLogMessage << "NaiveStaggered DhopEO mflop/s = "<< flops/(t1-t0)<<std::endl;
double flops=(16*(3*(6+8+8)) + 15*3*2)*volume*ncall; // == 66*16 + == 1146
std::cout<<GridLogMessage << "Called Ds"<<std::endl;
std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
std::cout<<GridLogMessage << "mflop/s = "<< flops/(t1-t0)<<std::endl;
Grid_finalize();
}
+6 -170
View File
@@ -716,161 +716,6 @@ public:
return mflops_best;
}
static double NaiveStaggered(int L)
{
double mflops;
double mflops_best = 0;
double mflops_worst= 0;
std::vector<double> mflops_all;
///////////////////////////////////////////////////////
// Set/Get the layout & grid size
///////////////////////////////////////////////////////
int threads = GridThread::GetThreads();
Coordinate mpi = GridDefaultMpi(); GRID_ASSERT(mpi.size()==4);
Coordinate local({L,L,L,L});
Coordinate latt4({local[0]*mpi[0],local[1]*mpi[1],local[2]*mpi[2],local[3]*mpi[3]});
GridCartesian * TmpGrid = SpaceTimeGrid::makeFourDimGrid(latt4,
GridDefaultSimd(Nd,vComplex::Nsimd()),
GridDefaultMpi());
uint64_t NP = TmpGrid->RankCount();
uint64_t NN = TmpGrid->NodeCount();
NN_global=NN;
uint64_t SHM=NP/NN;
///////// Welcome message ////////////
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
std::cout<<GridLogMessage << "Benchmark NaiveStaggered on "<<L<<"^4 local volume "<<std::endl;
std::cout<<GridLogMessage << "* Global volume : "<<GridCmdVectorIntToString(latt4)<<std::endl;
std::cout<<GridLogMessage << "* ranks : "<<NP <<std::endl;
std::cout<<GridLogMessage << "* nodes : "<<NN <<std::endl;
std::cout<<GridLogMessage << "* ranks/node : "<<SHM <<std::endl;
std::cout<<GridLogMessage << "* ranks geom : "<<GridCmdVectorIntToString(mpi)<<std::endl;
std::cout<<GridLogMessage << "* Using "<<threads<<" threads"<<std::endl;
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
///////// Lattice Init ////////////
GridCartesian * FGrid = SpaceTimeGrid::makeFourDimGrid(latt4, GridDefaultSimd(Nd,vComplexF::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(FGrid);
///////// RNG Init ////////////
std::vector<int> seeds4({1,2,3,4});
GridParallelRNG RNG4(FGrid); RNG4.SeedFixedIntegers(seeds4);
std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
RealD mass=0.1;
RealD c1=9.0/8.0;
RealD c2=-1.0/24.0;
RealD u0=1.0;
typedef NaiveStaggeredFermionF Action;
typedef typename Action::FermionField Fermion;
typedef LatticeGaugeFieldF Gauge;
Gauge Umu(FGrid); SU<Nc>::HotConfiguration(RNG4,Umu);
typename Action::ImplParams params;
Action Ds(Umu,*FGrid,*FrbGrid,mass,c1,u0,params);
///////// Source preparation ////////////
Fermion src (FGrid); random(RNG4,src);
Fermion src_e (FrbGrid);
Fermion src_o (FrbGrid);
Fermion r_e (FrbGrid);
Fermion r_o (FrbGrid);
Fermion r_eo (FGrid);
{
pickCheckerboard(Even,src_e,src);
pickCheckerboard(Odd,src_o,src);
const int num_cases = 2;
std::string fmt("G/S/C ; G/O/C ; G/S/S ; G/O/S ");
controls Cases [] = {
{ StaggeredKernelsStatic::OptGeneric , StaggeredKernelsStatic::CommsAndCompute ,CartesianCommunicator::CommunicatorPolicyConcurrent },
{ StaggeredKernelsStatic::OptHandUnroll, StaggeredKernelsStatic::CommsAndCompute ,CartesianCommunicator::CommunicatorPolicyConcurrent },
{ StaggeredKernelsStatic::OptInlineAsm , StaggeredKernelsStatic::CommsAndCompute ,CartesianCommunicator::CommunicatorPolicyConcurrent }
};
for(int c=0;c<num_cases;c++) {
StaggeredKernelsStatic::Comms = Cases[c].CommsOverlap;
StaggeredKernelsStatic::Opt = Cases[c].Opt;
CartesianCommunicator::SetCommunicatorPolicy(Cases[c].CommsAsynch);
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
if ( StaggeredKernelsStatic::Opt == StaggeredKernelsStatic::OptGeneric ) std::cout << GridLogMessage<< "* Using GENERIC Nc StaggeredKernels" <<std::endl;
std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
int nwarm = 10;
double t0=usecond();
FGrid->Barrier();
for(int i=0;i<nwarm;i++){
Ds.DhopEO(src_o,r_e,DaggerNo);
}
FGrid->Barrier();
double t1=usecond();
uint64_t no = 50;
uint64_t ni = 100;
// std::cout << GridLogMessage << " Estimate " << ncall << " calls per second"<<std::endl;
time_statistics timestat;
std::vector<double> t_time(no);
for(uint64_t i=0;i<no;i++){
t0=usecond();
for(uint64_t j=0;j<ni;j++){
Ds.DhopEO(src_o,r_e,DaggerNo);
}
t1=usecond();
t_time[i] = t1-t0;
}
FGrid->Barrier();
double volume=1; for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
double flops=((8*(3*(6+8+8)) + 7*3*2)*1.0*volume)/2;
double mf_hi, mf_lo, mf_err;
timestat.statistics(t_time);
mf_hi = flops/timestat.min*ni;
mf_lo = flops/timestat.max*ni;
mf_err= flops/timestat.min * timestat.err/timestat.mean;
mflops = flops/timestat.mean*ni;
mflops_all.push_back(mflops);
if ( mflops_best == 0 ) mflops_best = mflops;
if ( mflops_worst== 0 ) mflops_worst= mflops;
if ( mflops>mflops_best ) mflops_best = mflops;
if ( mflops<mflops_worst) mflops_worst= mflops;
std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Deo mflop/s = "<< mflops << " ("<<mf_err<<") " << mf_lo<<"-"<<mf_hi <<std::endl;
std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Deo mflop/s per rank "<< mflops/NP<<std::endl;
std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Deo mflop/s per node "<< mflops/NN<<std::endl;
std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Deo us per call "<< timestat.mean/ni<<std::endl;
}
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
std::cout<<GridLogMessage << L<<"^4 Deo Best mflop/s = "<< mflops_best << " ; " << mflops_best/NN<<" per node " <<std::endl;
std::cout<<GridLogMessage << L<<"^4 Deo Worst mflop/s = "<< mflops_worst<< " ; " << mflops_worst/NN<<" per node " <<std::endl;
std::cout<<GridLogMessage <<fmt << std::endl;
std::cout<<GridLogMessage ;
for(int i=0;i<mflops_all.size();i++){
std::cout<<mflops_all[i]/NN<<" ; " ;
}
std::cout<<std::endl;
}
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
return mflops_best;
}
static double Clover(int L)
{
double mflops;
@@ -1042,7 +887,6 @@ int main (int argc, char ** argv)
std::vector<double> clover;
std::vector<double> dwf4;
std::vector<double> staggered;
std::vector<double> naive_staggered;
int Ls=1;
if (do_dslash){
@@ -1070,21 +914,13 @@ int main (int argc, char ** argv)
staggered.push_back(result);
}
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
std::cout<<GridLogMessage << " Naive Staggered dslash 4D vectorised" <<std::endl;
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
for(int l=0;l<L_list.size();l++){
double result = Benchmark::NaiveStaggered(L_list[l]) ;
naive_staggered.push_back(result);
}
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
std::cout<<GridLogMessage << " Summary table Ls="<<Ls <<std::endl;
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
std::cout<<GridLogMessage << "L \t\t Clover \t\t DWF4 \t\t Staggered \t\t Naive Staggered" <<std::endl;
std::cout<<GridLogMessage << "L \t\t Clover \t\t DWF4 \t\t Staggered" <<std::endl;
for(int l=0;l<L_list.size();l++){
std::cout<<GridLogMessage << L_list[l] <<" \t\t "<< clover[l]<<" \t\t "<<dwf4[l] << " \t\t "<< staggered[l]<<" \t\t "<<naive_staggered[l]<<std::endl;
std::cout<<GridLogMessage << L_list[l] <<" \t\t "<< clover[l]<<" \t\t "<<dwf4[l] << " \t\t "<< staggered[l]<<std::endl;
}
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
}
@@ -1094,14 +930,14 @@ int main (int argc, char ** argv)
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
std::cout<<GridLogMessage << " Per Node Summary table Ls="<<Ls <<std::endl;
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
std::cout<<GridLogMessage << " L \t\t Clover\t\t DWF4\t\t Staggered \t\t NaiveStag \t|\t (GF/s per node)" <<std::endl;
std::cout<<GridLogMessage << " L \t\t Clover\t\t DWF4\t\t Staggered (GF/s per node)" <<std::endl;
fprintf(FP,"Per node summary table\n");
fprintf(FP,"\n");
fprintf(FP,"L , Wilson, DWF4, Staggered, NaiveStag\n");
fprintf(FP,"L , Wilson, DWF4, Staggered, GF/s per node\n");
fprintf(FP,"\n");
for(int l=0;l<L_list.size();l++){
std::cout<<GridLogMessage << L_list[l] <<" \t\t "<< clover[l]/NN<<" \t "<<dwf4[l]/NN<< " \t "<<staggered[l]/NN<<" \t " <<naive_staggered[l]/NN<<std::endl;
fprintf(FP,"%d , %.0f, %.0f, %.0f, %.0f\n",L_list[l],clover[l]/NN/1000.,dwf4[l]/NN/1000.,staggered[l]/NN/1000.,naive_staggered[l]/NN/1000.);
std::cout<<GridLogMessage << L_list[l] <<" \t\t "<< clover[l]/NN<<" \t "<<dwf4[l]/NN<< " \t "<<staggered[l]/NN<<std::endl;
fprintf(FP,"%d , %.0f, %.0f, %.0f\n",L_list[l],clover[l]/NN/1000.,dwf4[l]/NN/1000.,staggered[l]/NN/1000.);
}
fprintf(FP,"\n");
std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+699
View File
@@ -0,0 +1,699 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_3level.cc
Copyright (C) 2023
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 */
#include <Grid/Grid.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
#include <Grid/algorithms/iterative/BiCGSTAB.h>
using namespace std;
using namespace Grid;
template <class T> void readFile(T& out, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Reading: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
SR.readScidacFieldRecord(out, record);
SR.close();
#endif
}
template <class T> void writeFile(T& in, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Writing: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(in.Grid()->IsBoss());
SW.open(fname);
SW.writeScidacFieldRecord(in, record);
SW.close();
#endif
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Saving subspace (" << subspace.size() << " vectors) to: " << fname << std::endl;
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);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Loading subspace (" << subspace.size() << " vectors) from: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
int nApp;
int nAppDag;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV), nApp(0), nAppDag(0) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
nApp++;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
nAppDag++;
}
void clear() { nApp = 0; nAppDag = 0; }
void getApplications() {
std::cout << GridLogMessage << "# applications of PVdagM: " << nApp << std::endl;
std::cout << GridLogMessage << "# applications of PVdagM^dag: " << nAppDag << std::endl;
std::cout << GridLogMessage << "# applications total: " << nApp + nAppDag << std::endl;
}
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){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class MdagPVLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
MdagPVLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
RealD shift;
public:
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
out = out + shift * in;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(tmp,out);
_Mat.Mdag(in,tmp);
out = out + shift * in;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
// Lüscher deflated guesser (arXiv:0706.2298 Sec A.3) for a non-Hermitian solve.
// C_{st} = <psi[s] | LinOp | psi[t]>; guess = sum_s c_s psi[s] where c = C^{-1} psi† src.
template<class Field>
class LuscherGuesser : public LinearFunction<Field> {
const std::vector<Field> &psi;
Eigen::MatrixXcd C_inv;
public:
using LinearFunction<Field>::operator();
LuscherGuesser(const std::vector<Field> &psi_, const Eigen::MatrixXcd &Cinv_)
: psi(psi_), C_inv(Cinv_) {}
virtual void operator()(const Field &src, Field &guess) {
int N = psi.size();
Eigen::VectorXcd b(N);
for (int t = 0; t < N; t++)
b(t) = TensorRemove(innerProduct(psi[t], src));
Eigen::VectorXcd c = C_inv * b;
guess = Zero();
for (int s = 0; s < N; s++)
guess += ComplexD(c(s)) * psi[s];
}
};
template<class Fobj,class CComplex,int nbasis>
class MGPreconditioner : public LinearFunction< Lattice<Fobj> > {
public:
using LinearFunction<Lattice<Fobj> >::operator();
typedef Aggregation<Fobj,CComplex,nbasis> Aggregates;
typedef typename Aggregation<Fobj,CComplex,nbasis>::FineField FineField;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseVector CoarseVector;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseMatrix CoarseMatrix;
typedef LinearOperatorBase<FineField> FineOperator;
typedef LinearFunction <FineField> FineSmoother;
typedef LinearOperatorBase<CoarseVector> CoarseOperator;
typedef LinearFunction <CoarseVector> CoarseSolver;
Aggregates & _Aggregates;
FineOperator & _FineOperator;
FineSmoother & _PreSmoother;
FineSmoother & _PostSmoother;
CoarseOperator & _CoarseOperator;
CoarseSolver & _CoarseSolve;
CoarseSolver & _CoarseGuesser;
int level; void Level(int lv) {level = lv; };
MGPreconditioner(Aggregates &Agg,
FineOperator &Fine,
FineSmoother &PreSmoother,
FineSmoother &PostSmoother,
CoarseOperator &CoarseOperator_,
CoarseSolver &CoarseSolve_,
CoarseSolver &CoarseGuesser_)
: _Aggregates(Agg),
_FineOperator(Fine),
_PreSmoother(PreSmoother),
_PostSmoother(PostSmoother),
_CoarseOperator(CoarseOperator_),
_CoarseSolve(CoarseSolve_),
_CoarseGuesser(CoarseGuesser_),
level(1) { }
virtual void operator()(const FineField &in, FineField & out)
{
GridBase *CoarseGrid = _Aggregates.CoarseGrid;
CoarseVector Csrc(CoarseGrid);
CoarseVector Csol(CoarseGrid);
FineField vec1(in.Grid());
FineField vec2(in.Grid());
double t;
out = Zero();
t=-usecond();
_PreSmoother(in,out);
t+=usecond();
std::cout<<GridLogMessage << "PreSmoother took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1, in ,vec1);
t=-usecond();
_Aggregates.ProjectToSubspace(Csrc,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Project to coarse took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_CoarseGuesser(Csrc,Csol);
_CoarseSolve(Csrc,Csol);
t+=usecond();
std::cout<<GridLogMessage << "Coarse solve took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_Aggregates.PromoteFromSubspace(Csol,vec1);
add(out,out,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Promote to this level took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1 ,in , vec1);
t=-usecond();
vec2=Zero();
_PostSmoother(vec1,vec2);
t+=usecond();
std::cout<<GridLogMessage << "PostSmoother took "<< t/1000.0<< "ms" <<std::endl;
add(out,out,vec2);
}
};
// Generic shifted linear operator: wraps any LinearOperatorBase and adds shift*I.
// Used to condition the coarse-level GCR smoother, analogous to ShiftedPVdagMLinearOperator
// at the fine level.
template<class Field>
class ShiftedLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD shift;
public:
ShiftedLinearOperator(RealD _shift, LinearOperatorBase<Field> &Op) : shift(_shift), _Op(Op) {}
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out, int dir, int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out) { assert(0); }
void Op (const Field &in, Field &out) { _Op.Op(in, out); out = out + shift * in; }
void AdjOp (const Field &in, Field &out) { _Op.AdjOp(in, out); out = out + shift * in; }
void HermOpAndNorm(const Field &in, Field &out, RealD &n1, RealD &n2) { assert(0); }
void HermOp (const Field &in, Field &out) { Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
template<int NB, class PVdagM_t, class ShiftedPVdagM_t, class Subspace, class LittleDiracOperator, class CoarseVector, class TwoLevelMG>
void runMG(
GridCartesian *FGrid,
GridCartesian *Coarse5d,
GridCartesian *CoarseCoarse5d,
NextToNearestStencilGeometry5D geom,
PVdagM_t &PVdagM,
ShiftedPVdagM_t &ShiftedPVdagM,
Subspace &AggregatesPD
) {
std::vector<LatticeFermion> subspace = AggregatesPD.subspace;
assert((int)subspace.size() == NB);
const int nbasis = NB;
const int cb = 0;
CoarseVector c_src(Coarse5d);
CoarseVector c_res(Coarse5d);
Complex one(1.0);
LatticeFermionD f_src(FGrid);
LatticeFermionD f_res(FGrid);
TrivialPrecon<CoarseVector> simpleC;
TrivialPrecon<LatticeFermionD> simple_fine;
//////////////////////////////////////////////////////////////////////
// Level 0→1: coarsen PVdagM, build LinOpCoarse
//////////////////////////////////////////////////////////////////////
LittleDiracOperator LittleDiracOpPV(geom, FGrid, Coarse5d);
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesPD);
NonHermitianLinearOperator<LittleDiracOperator,CoarseVector> LinOpCoarse(LittleDiracOpPV);
//////////////////////////////////////////////////////////////////////
// Baseline: plain PGCR on LinOpCoarse (reference for comparison)
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: plain PGCR baseline"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2PGCR_baseline(3.0e-2,1100,LinOpCoarse,simpleC,10,10);
L2PGCR_baseline.Level(2);
L2PGCR_baseline.Name("Cbaseline");
c_src = one;
c_res = Zero();
L2PGCR_baseline(c_src,c_res);
//////////////////////////////////////////////////////////////////////
// psi_coarse: coarse projections of pre-GS fine null vectors.
// These are the Level 1 near-null vectors, promoted from Level 0.
// Used as the aggregation basis for Level 1→2 coarsening.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseVector> psi_coarse(nbasis, Coarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesPD.ProjectToSubspace(psi_coarse[k], subspace[k]);
//////////////////////////////////////////////////////////////////////
// Diagnostics: W (fine projected matrix) and C (Galerkin check)
//////////////////////////////////////////////////////////////////////
{
Eigen::MatrixXcd W = Eigen::MatrixXcd::Zero(nbasis, nbasis);
LatticeFermion ftmp(FGrid);
for (int j = 0; j < nbasis; j++) {
PVdagM.Op(subspace[j], ftmp);
for (int i = 0; i < nbasis; i++)
W(i,j) = TensorRemove(innerProduct(subspace[i], ftmp));
}
RealD normW = W.norm();
std::cout << GridLogMessage << "Fine projected matrix ||W|| = " << normW << std::endl;
Eigen::MatrixXcd C = Eigen::MatrixXcd::Zero(nbasis, nbasis);
CoarseVector Ac(Coarse5d);
for (int l = 0; l < nbasis; l++) {
LinOpCoarse.Op(psi_coarse[l], Ac);
for (int k = 0; k < nbasis; k++)
C(k,l) = TensorRemove(innerProduct(psi_coarse[k], Ac));
}
RealD normC = C.norm();
RealD normCmCdag = (C - C.adjoint()).norm();
std::cout << GridLogMessage << "Coarse null matrix ||C|| = " << normC << std::endl;
std::cout << GridLogMessage << "Coarse null matrix ||C - C†||/||C|| = " << normCmCdag/normC << std::endl;
std::cout << GridLogMessage << "Galerkin check ||C||/||W|| = " << normC/normW << std::endl;
}
//////////////////////////////////////////////////////////////////////
// Level 1→2: set up aggregation using psi_coarse as subspace.
// Block factor 2,2,3,2 (removes odd local sublattice in z given MPI
// geometry 3×6×4×4 where z-local at Level 1 is 6).
// psi_coarse are assigned directly; CoarsenOperator performs
// block-GS orthogonalisation before building LinOpCoarseCoarse.
//////////////////////////////////////////////////////////////////////
// innerProduct(CoarseSiteObj, CoarseSiteObj) returns iScalar<vTComplex>, so CComplex
// for the L1→L2 level must be iScalar<vTComplex>, not vTComplex.
typedef typename CoarseVector::vector_object CoarseSiteObj;
typedef iScalar<vTComplex> vTTComplex;
typedef GeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,NB> LittleDiracOperatorL2;
typedef typename LittleDiracOperatorL2::CoarseVector CoarseCoarseVector;
typedef Aggregation<CoarseSiteObj,vTTComplex,NB> SubspaceL2;
typedef MGPreconditioner<CoarseSiteObj,vTTComplex,NB> L1to2MG;
SubspaceL2 AggregatesL2(CoarseCoarse5d, Coarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL2.subspace[k] = psi_coarse[k];
NextToNearestStencilGeometry5D geom2(CoarseCoarse5d);
LittleDiracOperatorL2 LittleDiracOpL2(geom2, Coarse5d, CoarseCoarse5d);
LittleDiracOpL2.CoarsenOperator(LinOpCoarse, AggregatesL2);
NonHermitianLinearOperator<LittleDiracOperatorL2,CoarseCoarseVector> LinOpCC(LittleDiracOpL2);
TrivialPrecon<CoarseCoarseVector> simpleCC;
//////////////////////////////////////////////////////////////////////
// Lüscher deflation guesser for L3PGCR.
// Step 1: project psi_coarse[k] (promoted fine null vectors) to
// CoarseCoarseVector space — these cover the zero-momentum
// component of the near-null space of LinOpCC.
// Step 2: breed Nextra additional null vectors directly on LinOpCC
// using GCR with random sources — these pick up near-null
// modes at all spatial frequencies not spanned by step 1.
// Step 3: build C_{st} = <psi_cc[s]|LinOpCC|psi_cc[t]> over the
// full augmented basis and invert directly via Eigen LU.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseCoarseVector> psi_cc(nbasis, CoarseCoarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesL2.ProjectToSubspace(psi_cc[k], psi_coarse[k]);
{
int Nextra = nbasis; // breed as many extra as we have promoted ones
if ( getenv("CC_NEXTRA") ) Nextra = atoi(getenv("CC_NEXTRA"));
GridParallelRNG RNG_CC(CoarseCoarse5d);
RNG_CC.SeedFixedIntegers({11,13,17,19});
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
nullGCR(1e-2, 200, LinOpCC, simpleCC, 32, 32);
CoarseCoarseVector tmp(CoarseCoarse5d);
for (int k = 0; k < Nextra; k++) {
CoarseCoarseVector src(CoarseCoarse5d);
gaussian(RNG_CC, src);
tmp = Zero();
nullGCR(src, tmp);
psi_cc.push_back(tmp);
}
std::cout << GridLogMessage << "LinOpCC deflation basis: " << nbasis
<< " promoted + " << Nextra << " bred = " << psi_cc.size() << " total" << std::endl;
}
const int Naug = psi_cc.size();
Eigen::MatrixXcd Ccc = Eigen::MatrixXcd::Zero(Naug, Naug);
{
CoarseCoarseVector Acc(CoarseCoarse5d);
for (int l = 0; l < Naug; l++) {
LinOpCC.Op(psi_cc[l], Acc);
for (int k = 0; k < Naug; k++)
Ccc(k,l) = TensorRemove(innerProduct(psi_cc[k], Acc));
}
}
{
RealD normCcc = Ccc.norm();
RealD normCccmCdag = (Ccc - Ccc.adjoint()).norm();
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc|| = " << normCcc << std::endl;
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc-Ccc†||/||Ccc|| = " << normCccmCdag/normCcc << std::endl;
}
Eigen::MatrixXcd Ccc_inv = Ccc.inverse();
LuscherGuesser<CoarseCoarseVector> CCDeflGuesser(psi_cc, Ccc_inv);
//////////////////////////////////////////////////////////////////////
// Level 2 solver: plain GCR, no further coarsening
//////////////////////////////////////////////////////////////////////
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector> L3PGCR(1.0e-1,200,LinOpCC,simpleCC,16,16);
L3PGCR.Level(3);
L3PGCR.Name("CCouter");
//////////////////////////////////////////////////////////////////////
// Coarse-level GCR smoother for Level 1→2 V-cycle.
// Mirrors fine-grid SmootherGCR: shifted operator + fixed step count.
// coarse_smoother_shift and coarse_smoother_nstep are the tuning knobs.
//////////////////////////////////////////////////////////////////////
RealD coarse_smoother_shift = 0.01;
int coarse_smoother_nstep = 12;
if(getenv("coarse_smoother_shift")) coarse_smoother_shift = atof(getenv("coarse_smoother_shift"));
if(getenv("coarse_smoother_nstep")) coarse_smoother_nstep = atoi(getenv("coarse_smoother_nstep"));
ShiftedLinearOperator<CoarseVector> ShiftedLinOpCoarse(coarse_smoother_shift, LinOpCoarse);
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> CoarseSmootherGCR(0.01,1,ShiftedLinOpCoarse,simpleC,coarse_smoother_nstep,coarse_smoother_nstep);
CoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseSmootherGCR.Level(2);
CoarseSmootherGCR.Name("Csmoother");
//////////////////////////////////////////////////////////////////////
// Level 1→2 V-cycle preconditioner.
//////////////////////////////////////////////////////////////////////
L1to2MG L1to2Precon(AggregatesL2,
LinOpCoarse,
simpleC, // no pre-smoother (matches fine-grid setup)
CoarseSmootherGCR, // post-smoother: 12 GCR steps
LinOpCC,
L3PGCR,
CCDeflGuesser); // Lüscher guesser: psi_cc C^{-1} psi_cc†
//////////////////////////////////////////////////////////////////////
// Standalone Level 1 two-level solve test.
// Compare against plain PGCR baseline above.
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: two-level MG preconditioned PGCR"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2MGsolver(3.0e-2,200,LinOpCoarse,L1to2Precon,16,16);
L2MGsolver.Level(2);
L2MGsolver.Name("Couter");
c_res = Zero();
L2MGsolver(c_src,c_res);
std::cout << GridLogMessage << "Level 1 two-level test: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
//////////////////////////////////////////////////////////////////////
// Full three-level outer solve
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Three-level outer solve"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD> SmootherGCR(0.01,1,ShiftedPVdagM,simple_fine,16,16);
SmootherGCR.SetZeroGuess(1); // pre/post smoother slots zero their guess
SmootherGCR.Level(1);
SmootherGCR.Name("Fsmoother");
f_src = one;
// Pre-smoother: none (TrivialPrecon); post-smoother: shifted PGCR.
// Coarse solver: L2MGsolver (PGCR preconditioned by Level 1→2 V-cycle).
TwoLevelMG ThreeLevelPrecon(AggregatesPD,
PVdagM,
simple_fine,
SmootherGCR,
LinOpCoarse,
L2MGsolver,
simpleC);
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermion> L1PGCR(1.0e-8,1000,PVdagM,ThreeLevelPrecon,16,16);
L1PGCR.Level(1);
L1PGCR.Name("Fouter");
f_res = Zero();
L1PGCR(f_src,f_res);
std::cout << GridLogMessage << "Three-level outer solve: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
}
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
const int Ls = 24;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
RealD mass = 0.00078;
if ( getenv("MASS") ) mass = atof(getenv("MASS"));
const int nbasis = 60;
std::cout << GridLogMessage << "Mass: " << mass << ", Ls: " << Ls << ", b=" << b << ", c=" << c << std::endl;
std::cout << GridLogMessage << "nbasis: " << nbasis << std::endl;
std::vector<int> lat_size {48, 48, 48, 96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Level 1 coarse grid: block 2^4 from fine (48×48×48×96 → 24×24×24×48, Ls=1)
Coordinate clatt = lat_size;
for (int d = 0; d < 4; d++) clatt[d] /= 2;
std::cout << GridLogMessage << "Level 1 coarse lattice: " << clatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
// Level 2 coarse-coarse grid: block 2,2,3,3 from Level 1 (24×24×24×48 → 12×12×8×16, Ls=1).
// MPI geometry 3.6.4.4 (288 ranks): fine local {16,8,12,24}.
// Level 1 local {8,4,6,12}; Level 2 local {4,2,2,4}.
// z blocked by 3: z-Level1-local=6; 6/3=2 (even), 6/2=3 (odd) → must use 3.
// t blocked by 3: t-Level1-local=12; 12/3=4 divisible by Nsimd=4 (gen-simd-width=64).
// t-block=2 gives t2-local=6, 6 mod 4 ≠ 0, fails Grid SIMD assertion. ✓
// With {4,2,2,4}: Nsimd=4 goes into x or t (both =4). ✓
Coordinate clatt2 = clatt;
clatt2[0] /= 2;
clatt2[1] /= 2;
clatt2[2] /= 3;
clatt2[3] /= 3;
std::cout << GridLogMessage << "Level 2 coarse-coarse lattice: " << clatt2 << std::endl;
GridCartesian *CoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt2, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarse4d);
std::vector<int> seeds4({1,2,3,4});
std::vector<int> seeds5({5,6,7,8});
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
RealD b_ = 1.5;
RealD c_ = 0.5;
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b_,c_);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,1.0, M5,b_,c_);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
typedef MGPreconditioner<vSpinColourVector,vTComplex,nbasis> TwoLevelMG;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(0.01,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom(Coarse5d);
// Subspace cache: save after generation, reload on subsequent runs to skip expensive setup.
// Set SUBSPACE_FILE to override the default path.
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
// Check if subspace file exists (boss rank checks, result broadcast via GlobalSum).
uint64_t file_exists = 0;
if ( UGrid->IsBoss() ) {
std::ifstream f(subspace_file);
file_exists = f.good() ? 1 : 0;
}
UGrid->GlobalSum(file_exists);
const int cb = 0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ) {
std::cout << GridLogMessage << "*** Loading subspace from disk ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
// Insurance: GLOBAL (whole-lattice) orthonormalise, matching CreateSubspaceGCR
// (Aggregates.h:196), in case the cached file predates it. Span-preserving
// and globally orthonormal -- NOT the block Orthogonalise() below, which would
// defeat the raw-null discipline (runMG promotes the RAW subspace to build L2;
// block-GS here -> psi_coarse = e_k). The raw copy in runMG happens AFTER this.
AggregatesGCR.GlobalOrthonormalise();
// AggregatesGCR.Orthogonalise();
std::cout << GridLogMessage << "Subspace loaded, globally orthonormalised (raw block basis preserved)." << std::endl;
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
std::cout << GridLogMessage << "Subspace generation: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
saveSubspace(AggregatesGCR.subspace, subspace_file);
std::cout << GridLogMessage << "Subspace saved to: " << subspace_file << std::endl;
}
runMG<nbasis,PVdagM_t,ShiftedPVdagM_t,Subspace,LittleDiracOperator,CoarseVector,TwoLevelMG>(
FGrid,
Coarse5d,
CoarseCoarse5d,
geom,
PVdagM,
ShiftedPVdagM,
AggregatesGCR
);
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
File diff suppressed because it is too large. Load diff
+625
View File
@@ -0,0 +1,625 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_3level.cc
Copyright (C) 2023
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 */
#include <Grid/Grid.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
#include <Grid/algorithms/iterative/BiCGSTAB.h>
using namespace std;
using namespace Grid;
template <class T> void readFile(T& out, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Reading: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
SR.readScidacFieldRecord(out, record);
SR.close();
#endif
}
template <class T> void writeFile(T& in, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Writing: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(in.Grid()->IsBoss());
SW.open(fname);
SW.writeScidacFieldRecord(in, record);
SW.close();
#endif
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Saving subspace (" << subspace.size() << " vectors) to: " << fname << std::endl;
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);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Loading subspace (" << subspace.size() << " vectors) from: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
int nApp;
int nAppDag;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV), nApp(0), nAppDag(0) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
nApp++;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
nAppDag++;
}
void clear() { nApp = 0; nAppDag = 0; }
void getApplications() {
std::cout << GridLogMessage << "# applications of PVdagM: " << nApp << std::endl;
std::cout << GridLogMessage << "# applications of PVdagM^dag: " << nAppDag << std::endl;
std::cout << GridLogMessage << "# applications total: " << nApp + nAppDag << std::endl;
}
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){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class MdagPVLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
MdagPVLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
RealD shift;
public:
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
out = out + shift * in;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(tmp,out);
_Mat.Mdag(in,tmp);
out = out + shift * in;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Fobj,class CComplex,int nbasis>
class MGPreconditioner : public LinearFunction< Lattice<Fobj> > {
public:
using LinearFunction<Lattice<Fobj> >::operator();
typedef Aggregation<Fobj,CComplex,nbasis> Aggregates;
typedef typename Aggregation<Fobj,CComplex,nbasis>::FineField FineField;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseVector CoarseVector;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseMatrix CoarseMatrix;
typedef LinearOperatorBase<FineField> FineOperator;
typedef LinearFunction <FineField> FineSmoother;
typedef LinearOperatorBase<CoarseVector> CoarseOperator;
typedef LinearFunction <CoarseVector> CoarseSolver;
Aggregates & _Aggregates;
FineOperator & _FineOperator;
FineSmoother & _PreSmoother;
FineSmoother & _PostSmoother;
CoarseOperator & _CoarseOperator;
CoarseSolver & _CoarseSolve;
CoarseSolver & _CoarseGuesser;
std::string _name;
int level; void Level(int lv) {level = lv; };
MGPreconditioner(Aggregates &Agg,
FineOperator &Fine,
FineSmoother &PreSmoother,
FineSmoother &PostSmoother,
CoarseOperator &CoarseOperator_,
CoarseSolver &CoarseSolve_,
CoarseSolver &CoarseGuesser_,
std::string name = std::string("unnamed"))
: _Aggregates(Agg),
_FineOperator(Fine),
_PreSmoother(PreSmoother),
_PostSmoother(PostSmoother),
_CoarseOperator(CoarseOperator_),
_CoarseSolve(CoarseSolve_),
_CoarseGuesser(CoarseGuesser_),
_name(name),
level(1) { }
virtual void operator()(const FineField &in, FineField & out)
{
GridBase *CoarseGrid = _Aggregates.CoarseGrid;
CoarseVector Csrc(CoarseGrid);
CoarseVector Csol(CoarseGrid);
FineField vec1(in.Grid());
FineField vec2(in.Grid());
double t;
out = Zero();
t=-usecond();
_PreSmoother(in,out);
t+=usecond();
std::cout<<GridLogMessage << _name << "PreSmoother took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1, in ,vec1);
t=-usecond();
_Aggregates.ProjectToSubspace(Csrc,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Project to coarse took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_CoarseGuesser(Csrc,Csol);
_CoarseSolve(Csrc,Csol);
t+=usecond();
std::cout<<GridLogMessage << "Coarse solve took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_Aggregates.PromoteFromSubspace(Csol,vec1);
add(out,out,vec1);
t+=usecond();
std::cout<<GridLogMessage << _name << "Promote to this level took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1 ,in , vec1);
t=-usecond();
vec2=Zero();
_PostSmoother(vec1,vec2);
t+=usecond();
std::cout<<GridLogMessage << _name <<"PostSmoother took "<< t/1000.0<< "ms" <<std::endl;
add(out,out,vec2);
}
};
// Generic shifted linear operator: wraps any LinearOperatorBase and adds shift*I.
// Used to condition the coarse-level GCR smoother, analogous to ShiftedPVdagMLinearOperator
// at the fine level.
template<class Field>
class ShiftedLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD shift;
public:
ShiftedLinearOperator(RealD _shift, LinearOperatorBase<Field> &Op) : shift(_shift), _Op(Op) {}
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out, int dir, int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out) { assert(0); }
void Op (const Field &in, Field &out) { _Op.Op(in, out); out = out + shift * in; }
void AdjOp (const Field &in, Field &out) { _Op.AdjOp(in, out); out = out + shift * in; }
void HermOpAndNorm(const Field &in, Field &out, RealD &n1, RealD &n2) { assert(0); }
void HermOp (const Field &in, Field &out) { Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
template<int NB, class PVdagM_t, class ShiftedPVdagM_t, class Subspace, class LittleDiracOperator, class CoarseVector, class TwoLevelMG>
void runMG(
GridCartesian *FGrid,
GridCartesian *Coarse5d,
GridCartesian *CoarseCoarse5d,
NextToNearestStencilGeometry5D geom,
PVdagM_t &PVdagM,
ShiftedPVdagM_t &ShiftedPVdagM,
Subspace &AggregatesPD
) {
std::vector<LatticeFermion> subspace = AggregatesPD.subspace;
assert((int)subspace.size() == NB);
const int nbasis = NB;
const int cb = 0;
CoarseVector c_src(Coarse5d);
CoarseVector c_res(Coarse5d);
Complex one(1.0);
LatticeFermionD f_src(FGrid);
LatticeFermionD f_res(FGrid);
TrivialPrecon<CoarseVector> simpleC;
TrivialPrecon<LatticeFermionD> simple_fine;
//////////////////////////////////////////////////////////////////////
// Level 0→1: coarsen PVdagM, build LinOpCoarse
//////////////////////////////////////////////////////////////////////
LittleDiracOperator LittleDiracOpPV(geom, FGrid, Coarse5d);
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesPD);
NonHermitianLinearOperator<LittleDiracOperator,CoarseVector> LinOpCoarse(LittleDiracOpPV);
//////////////////////////////////////////////////////////////////////
// Baseline: plain PGCR on LinOpCoarse (reference for comparison)
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: plain PGCR baseline"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2PGCR_baseline(3.0e-2,1100,LinOpCoarse,simpleC,10,10);
L2PGCR_baseline.Level(2);
c_src = one;
c_res = Zero();
L2PGCR_baseline(c_src,c_res);
PVdagM.getApplications();
PVdagM.clear();
//////////////////////////////////////////////////////////////////////
// psi_coarse: coarse projections of pre-GS fine null vectors.
// These are the Level 1 near-null vectors, promoted from Level 0.
// Used as the aggregation basis for Level 1→2 coarsening.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseVector> psi_coarse(nbasis, Coarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesPD.ProjectToSubspace(psi_coarse[k], subspace[k]);
//////////////////////////////////////////////////////////////////////
// Diagnostics: W (fine projected matrix) and C (Galerkin check)
//////////////////////////////////////////////////////////////////////
{
Eigen::MatrixXcd W = Eigen::MatrixXcd::Zero(nbasis, nbasis);
LatticeFermion ftmp(FGrid);
for (int j = 0; j < nbasis; j++) {
PVdagM.Op(subspace[j], ftmp);
for (int i = 0; i < nbasis; i++)
W(i,j) = TensorRemove(innerProduct(subspace[i], ftmp));
}
RealD normW = W.norm();
std::cout << GridLogMessage << "Fine projected matrix ||W|| = " << normW << std::endl;
Eigen::MatrixXcd C = Eigen::MatrixXcd::Zero(nbasis, nbasis);
CoarseVector Ac(Coarse5d);
for (int l = 0; l < nbasis; l++) {
LinOpCoarse.Op(psi_coarse[l], Ac);
for (int k = 0; k < nbasis; k++)
C(k,l) = TensorRemove(innerProduct(psi_coarse[k], Ac));
}
RealD normC = C.norm();
RealD normCmCdag = (C - C.adjoint()).norm();
std::cout << GridLogMessage << "Coarse null matrix ||C|| = " << normC << std::endl;
std::cout << GridLogMessage << "Coarse null matrix ||C - C†||/||C|| = " << normCmCdag/normC << std::endl;
std::cout << GridLogMessage << "Galerkin check ||C||/||W|| = " << normC/normW << std::endl;
}
//////////////////////////////////////////////////////////////////////
// Level 1→2: set up aggregation using psi_coarse as subspace.
// Block factor 2,2,3,2 (removes odd local sublattice in z given MPI
// geometry 3×6×4×4 where z-local at Level 1 is 6).
// psi_coarse are assigned directly; CoarsenOperator performs
// block-GS orthogonalisation before building LinOpCoarseCoarse.
//////////////////////////////////////////////////////////////////////
// innerProduct(CoarseSiteObj, CoarseSiteObj) returns iScalar<vTComplex>, so CComplex
// for the L1→L2 level must be iScalar<vTComplex>, not vTComplex.
typedef typename CoarseVector::vector_object CoarseSiteObj;
typedef iScalar<vTComplex> vTTComplex;
typedef GeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,NB> LittleDiracOperatorL2;
typedef typename LittleDiracOperatorL2::CoarseVector CoarseCoarseVector;
typedef Aggregation<CoarseSiteObj,vTTComplex,NB> SubspaceL2;
typedef MGPreconditioner<CoarseSiteObj,vTTComplex,NB> L1to2MG;
SubspaceL2 AggregatesL2(CoarseCoarse5d, Coarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL2.subspace[k] = psi_coarse[k];
NextToNearestStencilGeometry5D geom2(CoarseCoarse5d);
LittleDiracOperatorL2 LittleDiracOpL2(geom2, Coarse5d, CoarseCoarse5d);
LittleDiracOpL2.CoarsenOperator(LinOpCoarse, AggregatesL2);
NonHermitianLinearOperator<LittleDiracOperatorL2,CoarseCoarseVector> LinOpCC(LittleDiracOpL2);
//////////////////////////////////////////////////////////////////////
// Level 2 solver: plain GCR, no further coarsening
//////////////////////////////////////////////////////////////////////
TrivialPrecon<CoarseCoarseVector> simpleCC;
// L3PGCR is an inner solver inside the L1→2 V-cycle; does not need to converge
// to fine-grid precision. Loose tolerance (3e-2) and large restart (64) to allow
// the Krylov space to span enough of the near-null spectrum of LinOpCC per cycle.
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector> L3PGCR(1.0e-4,5,LinOpCC,simpleCC,64,64);
L3PGCR.Level(3);
//////////////////////////////////////////////////////////////////////
// Coarse-level GCR smoother for Level 1→2 V-cycle.
// Mirrors fine-grid SmootherGCR: shifted operator + fixed step count.
// coarse_smoother_shift and coarse_smoother_nstep are the tuning knobs.
//////////////////////////////////////////////////////////////////////
RealD coarse_smoother_shift = 0.0;
int coarse_smoother_nstep = 8;
if(getenv("coarse_smoother_shift")) coarse_smoother_shift = atof(getenv("coarse_smoother_shift"));
if(getenv("coarse_smoother_nstep")) coarse_smoother_nstep = atoi(getenv("coarse_smoother_nstep"));
ShiftedLinearOperator<CoarseVector> ShiftedLinOpCoarse(coarse_smoother_shift, LinOpCoarse);
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> CoarseSmootherGCR(0.0,1,ShiftedLinOpCoarse,simpleC,coarse_smoother_nstep,coarse_smoother_nstep);
CoarseSmootherGCR.Level(2);
//////////////////////////////////////////////////////////////////////
// Level 1→2 V-cycle preconditioner.
//////////////////////////////////////////////////////////////////////
L1to2MG L1to2Precon(AggregatesL2,
LinOpCoarse,
simpleC, // no pre-smoother (matches fine-grid setup)
CoarseSmootherGCR, // post-smoother: 12 GCR steps
LinOpCC,
L3PGCR,
simpleCC,
std::string("LinOpC"));
//////////////////////////////////////////////////////////////////////
// Standalone Level 1 two-level solve test.
// Compare against plain PGCR baseline above.
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: two-level MG preconditioned PGCR"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2MGsolver(3.0e-2,200,LinOpCoarse,L1to2Precon,16,16);
L2MGsolver.Level(2);
c_res = Zero();
L2MGsolver(c_src,c_res);
std::cout << GridLogMessage << "Level 1 two-level test: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
//////////////////////////////////////////////////////////////////////
// Full three-level outer solve
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Three-level outer solve"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD> SmootherGCR(0.00,1,ShiftedPVdagM,simple_fine,16,16);
SmootherGCR.Level(1);
f_src = one;
// Pre-smoother: none (TrivialPrecon); post-smoother: shifted PGCR.
// Coarse solver: L2MGsolver (PGCR preconditioned by Level 1→2 V-cycle).
TwoLevelMG ThreeLevelPrecon(AggregatesPD,
PVdagM,
simple_fine,
SmootherGCR,
LinOpCoarse,
L2MGsolver,
simpleC,
std::string("PVdagM"));
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermion> L1PGCR(1.0e-8,1000,PVdagM,ThreeLevelPrecon,16,16);
L1PGCR.Level(1);
f_res = Zero();
L1PGCR(f_src,f_res);
std::cout << GridLogMessage << "Three-level outer solve: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
}
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
const int Ls = 24;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
RealD mass = 0.00078;
if ( getenv("MASS") ) mass = atof(getenv("MASS"));
const int nbasis = 60;
std::cout << GridLogMessage << "Mass: " << mass << ", Ls: " << Ls << ", b=" << b << ", c=" << c << std::endl;
std::cout << GridLogMessage << "nbasis: " << nbasis << std::endl;
std::vector<int> lat_size {48, 48, 48, 96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Level 1 coarse grid: block 2^4 from fine (48×48×48×96 → 24×24×24×48, Ls=1)
Coordinate clatt = lat_size;
for (int d = 0; d < 4; d++) clatt[d] /= 2;
std::cout << GridLogMessage << "Level 1 coarse lattice: " << clatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
// Level 2 coarse-coarse grid: block 2,2,3,3 from Level 1 (24×24×24×48 → 12×12×8×16, Ls=1).
// MPI geometry 3.6.4.4 (288 ranks): fine local {16,8,12,24}.
// Level 1 local {8,4,6,12}; Level 2 local {4,2,2,4}.
// z blocked by 3: z-Level1-local=6; 6/3=2 (even), 6/2=3 (odd) → must use 3.
// t blocked by 3: t-Level1-local=12; 12/3=4 divisible by Nsimd=4 (gen-simd-width=64).
// t-block=2 gives t2-local=6, 6 mod 4 ≠ 0, fails Grid SIMD assertion. ✓
// With {4,2,2,4}: Nsimd=4 goes into x or t (both =4). ✓
Coordinate clatt2 = clatt;
clatt2[0] /= 2;
clatt2[1] /= 2;
clatt2[2] /= 3;
clatt2[3] /= 3;
std::cout << GridLogMessage << "Level 2 coarse-coarse lattice: " << clatt2 << std::endl;
GridCartesian *CoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt2, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarse4d);
std::vector<int> seeds4({1,2,3,4});
std::vector<int> seeds5({5,6,7,8});
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
RealD b_ = 1.5;
RealD c_ = 0.5;
RealD madj = 1.0;
if ( getenv("MADJ") ) madj=atof(getenv("MADJ"));
std::cout << "PV mass set to "<<madj<<std::endl;
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b_,c_);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,madj, M5,b_,c_);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
typedef MGPreconditioner<vSpinColourVector,vTComplex,nbasis> TwoLevelMG;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(0.00,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom(Coarse5d);
// Subspace cache: save after generation, reload on subsequent runs to skip expensive setup.
// Set SUBSPACE_FILE to override the default path.
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
// Check if subspace file exists (boss rank checks, result broadcast via GlobalSum).
uint64_t file_exists = 0;
if ( UGrid->IsBoss() ) {
std::ifstream f(subspace_file);
file_exists = f.good() ? 1 : 0;
}
UGrid->GlobalSum(file_exists);
const int cb = 0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ) {
std::cout << GridLogMessage << "*** Loading subspace from disk ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
// Re-orthogonalise after loading to ensure block-GS condition holds.
// AggregatesGCR.Orthogonalise();
std::cout << GridLogMessage << "Subspace loaded and re-orthogonalised." << std::endl;
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
std::cout << GridLogMessage << "Subspace generation: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
saveSubspace(AggregatesGCR.subspace, subspace_file);
std::cout << GridLogMessage << "Subspace saved to: " << subspace_file << std::endl;
}
runMG<nbasis,PVdagM_t,ShiftedPVdagM_t,Subspace,LittleDiracOperator,CoarseVector,TwoLevelMG>(
FGrid,
Coarse5d,
CoarseCoarse5d,
geom,
PVdagM,
ShiftedPVdagM,
AggregatesGCR
);
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
+798
View File
@@ -0,0 +1,798 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_3level.cc
Copyright (C) 2023
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 */
#include <Grid/Grid.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
#include <Grid/algorithms/iterative/BiCGSTAB.h>
using namespace std;
using namespace Grid;
template <class T> void readFile(T& out, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Reading: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
SR.readScidacFieldRecord(out, record);
SR.close();
#endif
}
template <class T> void writeFile(T& in, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Writing: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(in.Grid()->IsBoss());
SW.open(fname);
SW.writeScidacFieldRecord(in, record);
SW.close();
#endif
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Saving subspace (" << subspace.size() << " vectors) to: " << fname << std::endl;
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);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Loading subspace (" << subspace.size() << " vectors) from: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
int nApp;
int nAppDag;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV), nApp(0), nAppDag(0) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
nApp++;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
nAppDag++;
}
void clear() { nApp = 0; nAppDag = 0; }
void getApplications() {
std::cout << GridLogMessage << "# applications of PVdagM: " << nApp << std::endl;
std::cout << GridLogMessage << "# applications of PVdagM^dag: " << nAppDag << std::endl;
std::cout << GridLogMessage << "# applications total: " << nApp + nAppDag << std::endl;
}
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){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class MdagPVLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
MdagPVLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
RealD shift;
public:
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
out = out + shift * in;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(tmp,out);
_Mat.Mdag(in,tmp);
out = out + shift * in;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
// Lüscher deflated guesser (arXiv:0706.2298 Sec A.3) for a non-Hermitian solve.
// C_{st} = <psi[s] | LinOp | psi[t]>; guess = sum_s c_s psi[s] where c = C^{-1} psi† src.
template<class Field>
class LuscherGuesser : public LinearFunction<Field> {
const std::vector<Field> &psi;
Eigen::MatrixXcd C_inv;
public:
using LinearFunction<Field>::operator();
LuscherGuesser(const std::vector<Field> &psi_, const Eigen::MatrixXcd &Cinv_)
: psi(psi_), C_inv(Cinv_) {}
virtual void operator()(const Field &src, Field &guess) {
int N = psi.size();
Eigen::VectorXcd b(N);
for (int t = 0; t < N; t++)
b(t) = TensorRemove(innerProduct(psi[t], src));
Eigen::VectorXcd c = C_inv * b;
guess = Zero();
for (int s = 0; s < N; s++)
guess += ComplexD(c(s)) * psi[s];
}
};
template<class Fobj,class CComplex,int nbasis>
class MGPreconditioner : public LinearFunction< Lattice<Fobj> > {
public:
using LinearFunction<Lattice<Fobj> >::operator();
typedef Aggregation<Fobj,CComplex,nbasis> Aggregates;
typedef typename Aggregation<Fobj,CComplex,nbasis>::FineField FineField;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseVector CoarseVector;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseMatrix CoarseMatrix;
typedef LinearOperatorBase<FineField> FineOperator;
typedef LinearFunction <FineField> FineSmoother;
typedef LinearOperatorBase<CoarseVector> CoarseOperator;
typedef LinearFunction <CoarseVector> CoarseSolver;
Aggregates & _Aggregates;
FineOperator & _FineOperator;
FineSmoother & _PreSmoother;
FineSmoother & _PostSmoother;
CoarseOperator & _CoarseOperator;
CoarseSolver & _CoarseSolve;
CoarseSolver & _CoarseGuesser;
int level; void Level(int lv) {level = lv; };
MGPreconditioner(Aggregates &Agg,
FineOperator &Fine,
FineSmoother &PreSmoother,
FineSmoother &PostSmoother,
CoarseOperator &CoarseOperator_,
CoarseSolver &CoarseSolve_,
CoarseSolver &CoarseGuesser_)
: _Aggregates(Agg),
_FineOperator(Fine),
_PreSmoother(PreSmoother),
_PostSmoother(PostSmoother),
_CoarseOperator(CoarseOperator_),
_CoarseSolve(CoarseSolve_),
_CoarseGuesser(CoarseGuesser_),
level(1) { }
virtual void operator()(const FineField &in, FineField & out)
{
GridBase *CoarseGrid = _Aggregates.CoarseGrid;
CoarseVector Csrc(CoarseGrid);
CoarseVector Csol(CoarseGrid);
FineField vec1(in.Grid());
FineField vec2(in.Grid());
double t;
out = Zero();
t=-usecond();
_PreSmoother(in,out);
t+=usecond();
std::cout<<GridLogMessage << "PreSmoother took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1, in ,vec1);
t=-usecond();
_Aggregates.ProjectToSubspace(Csrc,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Project to coarse took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_CoarseGuesser(Csrc,Csol);
_CoarseSolve(Csrc,Csol);
t+=usecond();
std::cout<<GridLogMessage << "Coarse solve took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_Aggregates.PromoteFromSubspace(Csol,vec1);
add(out,out,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Promote to this level took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1 ,in , vec1);
t=-usecond();
vec2=Zero();
_PostSmoother(vec1,vec2);
t+=usecond();
std::cout<<GridLogMessage << "PostSmoother took "<< t/1000.0<< "ms" <<std::endl;
add(out,out,vec2);
}
};
// Generic shifted linear operator: wraps any LinearOperatorBase and adds shift*I.
// Used to condition the coarse-level GCR smoother, analogous to ShiftedPVdagMLinearOperator
// at the fine level.
template<class Field>
class ShiftedLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD shift;
public:
ShiftedLinearOperator(RealD _shift, LinearOperatorBase<Field> &Op) : shift(_shift), _Op(Op) {}
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out, int dir, int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out) { assert(0); }
void Op (const Field &in, Field &out) { _Op.Op(in, out); out = out + shift * in; }
void AdjOp (const Field &in, Field &out) { _Op.AdjOp(in, out); out = out + shift * in; }
void HermOpAndNorm(const Field &in, Field &out, RealD &n1, RealD &n2) { assert(0); }
void HermOp (const Field &in, Field &out) { Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
template<int NB, class PVdagM_t, class ShiftedPVdagM_t, class Subspace, class LittleDiracOperator, class CoarseVector, class TwoLevelMG>
void runMG(
GridCartesian *FGrid,
GridCartesian *Coarse5d,
GridCartesian *CoarseCoarse5d,
GridCartesian *CoarseCoarseCoarse5d,
NextToNearestStencilGeometry5D geom,
PVdagM_t &PVdagM,
ShiftedPVdagM_t &ShiftedPVdagM,
Subspace &AggregatesPD
) {
std::vector<LatticeFermion> subspace = AggregatesPD.subspace;
assert((int)subspace.size() == NB);
const int nbasis = NB;
const int cb = 0;
CoarseVector c_src(Coarse5d);
CoarseVector c_res(Coarse5d);
Complex one(1.0);
LatticeFermionD f_src(FGrid);
LatticeFermionD f_res(FGrid);
TrivialPrecon<CoarseVector> simpleC;
TrivialPrecon<LatticeFermionD> simple_fine;
//////////////////////////////////////////////////////////////////////
// Level 0→1: coarsen PVdagM, build LinOpCoarse
//////////////////////////////////////////////////////////////////////
LittleDiracOperator LittleDiracOpPV(geom, FGrid, Coarse5d);
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesPD);
NonHermitianLinearOperator<LittleDiracOperator,CoarseVector> LinOpCoarse(LittleDiracOpPV);
//////////////////////////////////////////////////////////////////////
// Baseline: plain PGCR on LinOpCoarse (reference for comparison)
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: plain PGCR baseline"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2PGCR_baseline(3.0e-2,1100,LinOpCoarse,simpleC,10,10);
L2PGCR_baseline.Level(2);
L2PGCR_baseline.Name("Cbaseline");
c_src = one;
c_res = Zero();
L2PGCR_baseline(c_src,c_res);
//////////////////////////////////////////////////////////////////////
// psi_coarse: coarse projections of pre-GS fine null vectors.
// These are the Level 1 near-null vectors, promoted from Level 0.
// Used as the aggregation basis for Level 1→2 coarsening.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseVector> psi_coarse(nbasis, Coarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesPD.ProjectToSubspace(psi_coarse[k], subspace[k]);
//////////////////////////////////////////////////////////////////////
// Diagnostics: W (fine projected matrix) and C (Galerkin check)
//////////////////////////////////////////////////////////////////////
{
Eigen::MatrixXcd W = Eigen::MatrixXcd::Zero(nbasis, nbasis);
LatticeFermion ftmp(FGrid);
for (int j = 0; j < nbasis; j++) {
PVdagM.Op(subspace[j], ftmp);
for (int i = 0; i < nbasis; i++)
W(i,j) = TensorRemove(innerProduct(subspace[i], ftmp));
}
RealD normW = W.norm();
std::cout << GridLogMessage << "Fine projected matrix ||W|| = " << normW << std::endl;
Eigen::MatrixXcd C = Eigen::MatrixXcd::Zero(nbasis, nbasis);
CoarseVector Ac(Coarse5d);
for (int l = 0; l < nbasis; l++) {
LinOpCoarse.Op(psi_coarse[l], Ac);
for (int k = 0; k < nbasis; k++)
C(k,l) = TensorRemove(innerProduct(psi_coarse[k], Ac));
}
RealD normC = C.norm();
RealD normCmCdag = (C - C.adjoint()).norm();
std::cout << GridLogMessage << "Coarse null matrix ||C|| = " << normC << std::endl;
std::cout << GridLogMessage << "Coarse null matrix ||C - C†||/||C|| = " << normCmCdag/normC << std::endl;
std::cout << GridLogMessage << "Galerkin check ||C||/||W|| = " << normC/normW << std::endl;
}
//////////////////////////////////////////////////////////////////////
// Level 1→2: set up aggregation using psi_coarse as subspace.
// Block factor 2,2,3,2 (removes odd local sublattice in z given MPI
// geometry 3×6×4×4 where z-local at Level 1 is 6).
// psi_coarse are assigned directly; CoarsenOperator performs
// block-GS orthogonalisation before building LinOpCoarseCoarse.
//////////////////////////////////////////////////////////////////////
// innerProduct(CoarseSiteObj, CoarseSiteObj) returns iScalar<vTComplex>, so CComplex
// for the L1→L2 level must be iScalar<vTComplex>, not vTComplex.
typedef typename CoarseVector::vector_object CoarseSiteObj;
typedef iScalar<vTComplex> vTTComplex;
typedef GeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,NB> LittleDiracOperatorL2;
typedef typename LittleDiracOperatorL2::CoarseVector CoarseCoarseVector;
typedef Aggregation<CoarseSiteObj,vTTComplex,NB> SubspaceL2;
typedef MGPreconditioner<CoarseSiteObj,vTTComplex,NB> L1to2MG;
SubspaceL2 AggregatesL2(CoarseCoarse5d, Coarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL2.subspace[k] = psi_coarse[k];
NextToNearestStencilGeometry5D geom2(CoarseCoarse5d);
LittleDiracOperatorL2 LittleDiracOpL2(geom2, Coarse5d, CoarseCoarse5d);
LittleDiracOpL2.CoarsenOperator(LinOpCoarse, AggregatesL2);
NonHermitianLinearOperator<LittleDiracOperatorL2,CoarseCoarseVector> LinOpCC(LittleDiracOpL2);
TrivialPrecon<CoarseCoarseVector> simpleCC;
//////////////////////////////////////////////////////////////////////
// Lüscher deflation guesser for L3PGCR.
// Step 1: project psi_coarse[k] (promoted fine null vectors) to
// CoarseCoarseVector space — these cover the zero-momentum
// component of the near-null space of LinOpCC.
// Step 2: breed Nextra additional null vectors directly on LinOpCC
// using GCR with random sources — these pick up near-null
// modes at all spatial frequencies not spanned by step 1.
// Step 3: build C_{st} = <psi_cc[s]|LinOpCC|psi_cc[t]> over the
// full augmented basis and invert directly via Eigen LU.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseCoarseVector> psi_cc(nbasis, CoarseCoarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesL2.ProjectToSubspace(psi_cc[k], psi_coarse[k]);
{
int Nextra = nbasis; // breed as many extra as we have promoted ones
if ( getenv("CC_NEXTRA") ) Nextra = atoi(getenv("CC_NEXTRA"));
GridParallelRNG RNG_CC(CoarseCoarse5d);
RNG_CC.SeedFixedIntegers({11,13,17,19});
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
nullGCR(1e-2, 200, LinOpCC, simpleCC, 32, 32);
CoarseCoarseVector tmp(CoarseCoarse5d);
for (int k = 0; k < Nextra; k++) {
CoarseCoarseVector src(CoarseCoarse5d);
gaussian(RNG_CC, src);
tmp = Zero();
nullGCR(src, tmp);
psi_cc.push_back(tmp);
}
std::cout << GridLogMessage << "LinOpCC deflation basis: " << nbasis
<< " promoted + " << Nextra << " bred = " << psi_cc.size() << " total" << std::endl;
}
const int Naug = psi_cc.size();
Eigen::MatrixXcd Ccc = Eigen::MatrixXcd::Zero(Naug, Naug);
{
CoarseCoarseVector Acc(CoarseCoarse5d);
for (int l = 0; l < Naug; l++) {
LinOpCC.Op(psi_cc[l], Acc);
for (int k = 0; k < Naug; k++)
Ccc(k,l) = TensorRemove(innerProduct(psi_cc[k], Acc));
}
}
{
RealD normCcc = Ccc.norm();
RealD normCccmCdag = (Ccc - Ccc.adjoint()).norm();
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc|| = " << normCcc << std::endl;
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc-Ccc†||/||Ccc|| = " << normCccmCdag/normCcc << std::endl;
}
Eigen::MatrixXcd Ccc_inv = Ccc.inverse();
LuscherGuesser<CoarseCoarseVector> CCDeflGuesser(psi_cc, Ccc_inv);
//////////////////////////////////////////////////////////////////////
// Level 2→3: coarsen LinOpCC using the RAW promoted psi_cc as aggregation
// to build the Level 4 (coarse-coarse-coarse) operator.
// psi_cc[0..nbasis-1] are the coarse-coarse near-null vectors, projected
// from the RAW psi_coarse (themselves projected from the RAW fine null
// vectors) -- the pre-block-GS chain the whole construction depends on.
// CoarsenOperator block-GS orthogonalises AggregatesL3.subspace IN PLACE,
// so assign COPIES of psi_cc and keep psi_cc itself raw.
//
// Tensor depth deepens once more: innerProduct(CoarseCoarseSiteObj,...) returns
// iScalar<vTTComplex>, so CComplex for the L2→L3 level is iScalar<iScalar<vTComplex>>.
//////////////////////////////////////////////////////////////////////
typedef typename CoarseCoarseVector::vector_object CoarseCoarseSiteObj;
typedef iScalar<vTTComplex> vTTTComplex;
typedef GeneralCoarsenedMatrix<CoarseCoarseSiteObj,vTTTComplex,NB> LittleDiracOperatorL3;
typedef typename LittleDiracOperatorL3::CoarseVector CoarseCoarseCoarseVector;
typedef Aggregation<CoarseCoarseSiteObj,vTTTComplex,NB> SubspaceL3;
typedef MGPreconditioner<CoarseCoarseSiteObj,vTTTComplex,NB> L2to3MG;
SubspaceL3 AggregatesL3(CoarseCoarseCoarse5d, CoarseCoarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL3.subspace[k] = psi_cc[k]; // raw promoted; COPY, keeps psi_cc raw
NextToNearestStencilGeometry5D geom3(CoarseCoarseCoarse5d);
LittleDiracOperatorL3 LittleDiracOpL3(geom3, CoarseCoarse5d, CoarseCoarseCoarse5d);
LittleDiracOpL3.CoarsenOperator(LinOpCC, AggregatesL3); // block-GS's AggregatesL3.subspace in place
NonHermitianLinearOperator<LittleDiracOperatorL3,CoarseCoarseCoarseVector> LinOpCCC(LittleDiracOpL3);
TrivialPrecon<CoarseCoarseCoarseVector> simpleCCC;
//////////////////////////////////////////////////////////////////////
// Level 4 bottom solve: GCR on a SHIFTED LinOpCCC. This is the one level
// with no IRS shift, and it is the most non-normal (coarsest) operator, so
// the bare bottom GCR wanders in a field of values that wraps the origin and
// its iteration count blows out (observed 5..54 iters to hit 0.2). Solving
// (A_ccc + l4_shift) instead slides the FoV off the origin; the correction is
// only ever a loose 0.2 approximation anyway, so the detuning is free.
// l4_shift defaults to 0.0 => bare LinOpCCC, baseline unchanged until opted in.
//////////////////////////////////////////////////////////////////////
RealD l4_shift = 0.0;
if(getenv("l4_shift")) l4_shift = atof(getenv("l4_shift"));
std::cout << GridLogMessage << "PARAM l4_shift = " << l4_shift << std::endl;
ShiftedLinearOperator<CoarseCoarseCoarseVector> ShiftedLinOpCCC(l4_shift, LinOpCCC);
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseCoarseVector> L4PGCR(1.0e-1,200,ShiftedLinOpCCC,simpleCCC,16,16);
L4PGCR.Level(4);
L4PGCR.Name("CCCouter");
//////////////////////////////////////////////////////////////////////
// Level 2→3 V-cycle: depth-2 SHIFTED smoother on LinOpCC + L4 bottom.
// The shift slides the coarse-coarse field of values off the origin so a
// 2-step smoother has something to bite on a non-normal operator (IRS idea).
//////////////////////////////////////////////////////////////////////
RealD cc_smoother_shift = 0.01;
int cc_smoother_nstep = 2;
if(getenv("cc_smoother_shift")) cc_smoother_shift = atof(getenv("cc_smoother_shift"));
if(getenv("cc_smoother_nstep")) cc_smoother_nstep = atoi(getenv("cc_smoother_nstep"));
ShiftedLinearOperator<CoarseCoarseVector> ShiftedLinOpCC(cc_smoother_shift, LinOpCC);
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
CoarseCoarseSmootherGCR(0.01,1,ShiftedLinOpCC,simpleCC,cc_smoother_nstep,cc_smoother_nstep);
CoarseCoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseCoarseSmootherGCR.Level(3);
CoarseCoarseSmootherGCR.Name("CCsmoother");
L2to3MG L2to3Precon(AggregatesL3,
LinOpCC,
simpleCC, // no pre-smoother
CoarseCoarseSmootherGCR, // post-smoother: depth-2 shifted GCR
LinOpCCC,
L4PGCR,
simpleCCC); // trivial guesser at the bottom
//////////////////////////////////////////////////////////////////////
// Level 3 (coarse-coarse) solve: GCR preconditioned by the L2→L3 V-cycle.
// Replaces the plain L3PGCR of the 3-level build -- the coarse-coarse level
// is now smoothed shallowly and recursed rather than solved deeply.
//////////////////////////////////////////////////////////////////////
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector> L3MGsolver(1.0e-1,200,LinOpCC,L2to3Precon,16,16);
L3MGsolver.Level(3);
L3MGsolver.Name("CCouter");
//////////////////////////////////////////////////////////////////////
// Coarse-level GCR smoother for Level 1→2 V-cycle.
// Mirrors fine-grid SmootherGCR: shifted operator + fixed step count.
// coarse_smoother_shift and coarse_smoother_nstep are the tuning knobs.
//////////////////////////////////////////////////////////////////////
RealD coarse_smoother_shift = 0.01;
int coarse_smoother_nstep = 2; // depth-2 smoother on the coarse level
if(getenv("coarse_smoother_shift")) coarse_smoother_shift = atof(getenv("coarse_smoother_shift"));
if(getenv("coarse_smoother_nstep")) coarse_smoother_nstep = atoi(getenv("coarse_smoother_nstep"));
ShiftedLinearOperator<CoarseVector> ShiftedLinOpCoarse(coarse_smoother_shift, LinOpCoarse);
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> CoarseSmootherGCR(0.01,1,ShiftedLinOpCoarse,simpleC,coarse_smoother_nstep,coarse_smoother_nstep);
CoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseSmootherGCR.Level(2);
CoarseSmootherGCR.Name("Csmoother");
//////////////////////////////////////////////////////////////////////
// Level 1→2 V-cycle preconditioner.
//////////////////////////////////////////////////////////////////////
L1to2MG L1to2Precon(AggregatesL2,
LinOpCoarse,
simpleC, // no pre-smoother (matches fine-grid setup)
CoarseSmootherGCR, // post-smoother: depth-2 shifted GCR
LinOpCC,
L3MGsolver, // coarse-coarse solve is now the L2→L3 V-cycle
CCDeflGuesser); // Lüscher guesser: psi_cc C^{-1} psi_cc†
//////////////////////////////////////////////////////////////////////
// Standalone Level 1 two-level solve test.
// Compare against plain PGCR baseline above.
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: two-level MG preconditioned PGCR"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2MGsolver(3.0e-2,200,LinOpCoarse,L1to2Precon,16,16);
L2MGsolver.Level(2);
L2MGsolver.Name("Couter");
c_res = Zero();
L2MGsolver(c_src,c_res);
std::cout << GridLogMessage << "Level 1 two-level test: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
//////////////////////////////////////////////////////////////////////
// Full three-level outer solve
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Three-level outer solve"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD> SmootherGCR(0.01,1,ShiftedPVdagM,simple_fine,16,16);
SmootherGCR.SetZeroGuess(1); // pre/post smoother slots zero their guess
SmootherGCR.Level(1);
SmootherGCR.Name("Fsmoother");
f_src = one;
// Pre-smoother: none (TrivialPrecon); post-smoother: shifted PGCR.
// Coarse solver: L2MGsolver (PGCR preconditioned by Level 1→2 V-cycle).
TwoLevelMG ThreeLevelPrecon(AggregatesPD,
PVdagM,
simple_fine,
SmootherGCR,
LinOpCoarse,
L2MGsolver,
simpleC);
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermion> L1PGCR(1.0e-8,1000,PVdagM,ThreeLevelPrecon,16,16);
L1PGCR.Level(1);
L1PGCR.Name("Fouter");
f_res = Zero();
L1PGCR(f_src,f_res);
std::cout << GridLogMessage << "Three-level outer solve: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
}
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
const int Ls = 24;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
RealD mass = 0.00078;
if ( getenv("MASS") ) mass = atof(getenv("MASS"));
const int nbasis = 60;
std::cout << GridLogMessage << "Mass: " << mass << ", Ls: " << Ls << ", b=" << b << ", c=" << c << std::endl;
std::cout << GridLogMessage << "nbasis: " << nbasis << std::endl;
std::vector<int> lat_size {48, 48, 48, 96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Level 1 coarse grid: block 2^4 from fine (48×48×48×96 → 24×24×24×48, Ls=1)
Coordinate clatt = lat_size;
for (int d = 0; d < 4; d++) clatt[d] /= 2;
std::cout << GridLogMessage << "Level 1 coarse lattice: " << clatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
// Level 2 coarse-coarse grid: block 2,2,3,3 from Level 1 (24×24×24×48 → 12×12×8×16, Ls=1).
// MPI geometry 3.6.4.4 (288 ranks): fine local {16,8,12,24}.
// Level 1 local {8,4,6,12}; Level 2 local {4,2,2,4}.
// z blocked by 3: z-Level1-local=6; 6/3=2 (even), 6/2=3 (odd) → must use 3.
// t blocked by 3: t-Level1-local=12; 12/3=4 divisible by Nsimd=4 (gen-simd-width=64).
// t-block=2 gives t2-local=6, 6 mod 4 ≠ 0, fails Grid SIMD assertion. ✓
// With {4,2,2,4}: Nsimd=4 goes into x or t (both =4). ✓
Coordinate clatt2 = clatt;
clatt2[0] /= 2;
clatt2[1] /= 2;
clatt2[2] /= 3;
clatt2[3] /= 3;
std::cout << GridLogMessage << "Level 2 coarse-coarse lattice: " << clatt2 << std::endl;
GridCartesian *CoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt2, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarse4d);
// Level 3 coarse-coarse-coarse grid: block clatt2 = {12,12,8,16} -> {6,12,8,8}.
// GEOMETRY (mpi 3.6.4.4, Nsimd=4 => SIMD layout {1,1,2,2}, factor 2 on z and t):
// every grid needs z-local and t-local EVEN. clatt2-local is {4,2,2,4}, so
// z-local=2 is already at its minimum even value and CANNOT be blocked (2->1
// is odd and trips the SIMD assertion); y-local=2 would go to 1 (degenerate).
// Only x and t have room, so block {2,1,1,2}: clatt3 {6,12,8,8}, L4-local
// {2,2,2,2} -- all dims even and >=2. z stays unblocked by construction.
Coordinate clatt3 = clatt2;
clatt3[0] /= 2; // x: 12 -> 6 (x-local 4 -> 2)
// clatt3[1] (y) unblocked: y-local 2 -> blocking gives 1 (degenerate)
// clatt3[2] (z) unblocked: z-local 2 is SIMD-pinned even, cannot halve
clatt3[3] /= 2; // t: 16 -> 8 (t-local 4 -> 2)
std::cout << GridLogMessage << "Level 3 coarse-coarse-coarse lattice: " << clatt3 << std::endl;
GridCartesian *CoarseCoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt3, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarseCoarse4d);
std::vector<int> seeds4({1,2,3,4});
std::vector<int> seeds5({5,6,7,8});
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
RealD b_ = 1.5;
RealD c_ = 0.5;
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b_,c_);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,1.0, M5,b_,c_);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
typedef MGPreconditioner<vSpinColourVector,vTComplex,nbasis> TwoLevelMG;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(0.01,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom(Coarse5d);
// Subspace cache: save after generation, reload on subsequent runs to skip expensive setup.
// Set SUBSPACE_FILE to override the default path.
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
// Check if subspace file exists (boss rank checks, result broadcast via GlobalSum).
uint64_t file_exists = 0;
if ( UGrid->IsBoss() ) {
std::ifstream f(subspace_file);
file_exists = f.good() ? 1 : 0;
}
UGrid->GlobalSum(file_exists);
const int cb = 0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ) {
std::cout << GridLogMessage << "*** Loading subspace from disk ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
// Insurance: GLOBAL (whole-lattice) orthonormalise, in case the cached file
// predates the GlobalOrthonormalise() that CreateSubspaceGCR now applies
// (Aggregates.h:196). It is span-preserving and makes the vectors globally
// orthonormal -- it is NOT the block Orthogonalise() below, so it does NOT
// cause the psi_coarse->e_k trap. The RAW subspace copy in runMG happens
// AFTER this call, so the raw-null (pre-block-GS) discipline is preserved.
AggregatesGCR.GlobalOrthonormalise();
// DO NOT block-orthogonalise here: runMG copies subspace[] as the RAW
// (pre-block-GS) basis and CoarsenOperator block-GS's it in place later.
// Orthogonalising now defeats the raw-null discipline (psi_coarse -> e_k)
// and poisons L2/L3/L4. See project_block_orthogonalise_leak.
// AggregatesGCR.Orthogonalise();
std::cout << GridLogMessage << "Subspace loaded, globally orthonormalised (raw block basis preserved)." << std::endl;
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
std::cout << GridLogMessage << "Subspace generation: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
saveSubspace(AggregatesGCR.subspace, subspace_file);
std::cout << GridLogMessage << "Subspace saved to: " << subspace_file << std::endl;
}
runMG<nbasis,PVdagM_t,ShiftedPVdagM_t,Subspace,LittleDiracOperator,CoarseVector,TwoLevelMG>(
FGrid,
Coarse5d,
CoarseCoarse5d,
CoarseCoarseCoarse5d,
geom,
PVdagM,
ShiftedPVdagM,
AggregatesGCR
);
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
+954
View File
@@ -0,0 +1,954 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_5level.cc
Copyright (C) 2023
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 */
#include <Grid/Grid.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
#include <Grid/algorithms/iterative/BiCGSTAB.h>
using namespace std;
using namespace Grid;
template <class T> void readFile(T& out, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Reading: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
SR.readScidacFieldRecord(out, record);
SR.close();
#endif
}
template <class T> void writeFile(T& in, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Writing: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(in.Grid()->IsBoss());
SW.open(fname);
SW.writeScidacFieldRecord(in, record);
SW.close();
#endif
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Saving subspace (" << subspace.size() << " vectors) to: " << fname << std::endl;
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);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Loading subspace (" << subspace.size() << " vectors) from: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
int nApp;
int nAppDag;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV), nApp(0), nAppDag(0) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
nApp++;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
nAppDag++;
}
void clear() { nApp = 0; nAppDag = 0; }
void getApplications() {
std::cout << GridLogMessage << "# applications of PVdagM: " << nApp << std::endl;
std::cout << GridLogMessage << "# applications of PVdagM^dag: " << nAppDag << std::endl;
std::cout << GridLogMessage << "# applications total: " << nApp + nAppDag << std::endl;
}
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){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class MdagPVLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
MdagPVLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
RealD shift;
public:
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
out = out + shift * in;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(tmp,out);
_Mat.Mdag(in,tmp);
out = out + shift * in;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
// Lüscher deflated guesser (arXiv:0706.2298 Sec A.3) for a non-Hermitian solve.
// C_{st} = <psi[s] | LinOp | psi[t]>; guess = sum_s c_s psi[s] where c = C^{-1} psi† src.
template<class Field>
class LuscherGuesser : public LinearFunction<Field> {
const std::vector<Field> &psi;
Eigen::MatrixXcd C_inv;
public:
using LinearFunction<Field>::operator();
LuscherGuesser(const std::vector<Field> &psi_, const Eigen::MatrixXcd &Cinv_)
: psi(psi_), C_inv(Cinv_) {}
virtual void operator()(const Field &src, Field &guess) {
int N = psi.size();
Eigen::VectorXcd b(N);
for (int t = 0; t < N; t++)
b(t) = TensorRemove(innerProduct(psi[t], src));
Eigen::VectorXcd c = C_inv * b;
guess = Zero();
for (int s = 0; s < N; s++)
guess += ComplexD(c(s)) * psi[s];
}
};
template<class Fobj,class CComplex,int nbasis>
class MGPreconditioner : public LinearFunction< Lattice<Fobj> > {
public:
using LinearFunction<Lattice<Fobj> >::operator();
typedef Aggregation<Fobj,CComplex,nbasis> Aggregates;
typedef typename Aggregation<Fobj,CComplex,nbasis>::FineField FineField;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseVector CoarseVector;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseMatrix CoarseMatrix;
typedef LinearOperatorBase<FineField> FineOperator;
typedef LinearFunction <FineField> FineSmoother;
typedef LinearOperatorBase<CoarseVector> CoarseOperator;
typedef LinearFunction <CoarseVector> CoarseSolver;
Aggregates & _Aggregates;
FineOperator & _FineOperator;
FineSmoother & _PreSmoother;
FineSmoother & _PostSmoother;
CoarseOperator & _CoarseOperator;
CoarseSolver & _CoarseSolve;
CoarseSolver & _CoarseGuesser;
int level; void Level(int lv) {level = lv; };
MGPreconditioner(Aggregates &Agg,
FineOperator &Fine,
FineSmoother &PreSmoother,
FineSmoother &PostSmoother,
CoarseOperator &CoarseOperator_,
CoarseSolver &CoarseSolve_,
CoarseSolver &CoarseGuesser_)
: _Aggregates(Agg),
_FineOperator(Fine),
_PreSmoother(PreSmoother),
_PostSmoother(PostSmoother),
_CoarseOperator(CoarseOperator_),
_CoarseSolve(CoarseSolve_),
_CoarseGuesser(CoarseGuesser_),
level(1) { }
virtual void operator()(const FineField &in, FineField & out)
{
GridBase *CoarseGrid = _Aggregates.CoarseGrid;
CoarseVector Csrc(CoarseGrid);
CoarseVector Csol(CoarseGrid);
FineField vec1(in.Grid());
FineField vec2(in.Grid());
double t;
out = Zero();
t=-usecond();
_PreSmoother(in,out);
t+=usecond();
std::cout<<GridLogMessage << "PreSmoother took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1, in ,vec1);
t=-usecond();
_Aggregates.ProjectToSubspace(Csrc,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Project to coarse took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_CoarseGuesser(Csrc,Csol);
_CoarseSolve(Csrc,Csol);
t+=usecond();
std::cout<<GridLogMessage << "Coarse solve took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_Aggregates.PromoteFromSubspace(Csol,vec1);
add(out,out,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Promote to this level took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1 ,in , vec1);
t=-usecond();
vec2=Zero();
_PostSmoother(vec1,vec2);
t+=usecond();
std::cout<<GridLogMessage << "PostSmoother took "<< t/1000.0<< "ms" <<std::endl;
add(out,out,vec2);
}
};
// Generic shifted linear operator: wraps any LinearOperatorBase and adds shift*I.
// Used to condition the coarse-level GCR smoother, analogous to ShiftedPVdagMLinearOperator
// at the fine level.
template<class Field>
class ShiftedLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD shift;
public:
ShiftedLinearOperator(RealD _shift, LinearOperatorBase<Field> &Op) : shift(_shift), _Op(Op) {}
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out, int dir, int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out) { assert(0); }
void Op (const Field &in, Field &out) { _Op.Op(in, out); out = out + shift * in; }
void AdjOp (const Field &in, Field &out) { _Op.AdjOp(in, out); out = out + shift * in; }
void HermOpAndNorm(const Field &in, Field &out, RealD &n1, RealD &n2) { assert(0); }
void HermOp (const Field &in, Field &out) { Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
template<int NB, class PVdagM_t, class ShiftedPVdagM_t, class Subspace, class LittleDiracOperator, class CoarseVector, class TwoLevelMG>
void runMG(
GridCartesian *FGrid,
GridCartesian *Coarse5d,
GridCartesian *CoarseCoarse5d,
GridCartesian *CoarseCoarseCoarse5d,
GridCartesian *CoarseCoarseCoarseCoarse5d,
NextToNearestStencilGeometry5D geom,
PVdagM_t &PVdagM,
ShiftedPVdagM_t &ShiftedPVdagM,
Subspace &AggregatesPD
) {
std::vector<LatticeFermion> subspace = AggregatesPD.subspace;
assert((int)subspace.size() == NB);
const int nbasis = NB;
const int cb = 0;
CoarseVector c_src(Coarse5d);
CoarseVector c_res(Coarse5d);
Complex one(1.0);
LatticeFermionD f_src(FGrid);
LatticeFermionD f_res(FGrid);
TrivialPrecon<CoarseVector> simpleC;
TrivialPrecon<LatticeFermionD> simple_fine;
//////////////////////////////////////////////////////////////////////
// Level 0→1: coarsen PVdagM, build LinOpCoarse
//////////////////////////////////////////////////////////////////////
LittleDiracOperator LittleDiracOpPV(geom, FGrid, Coarse5d);
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesPD);
NonHermitianLinearOperator<LittleDiracOperator,CoarseVector> LinOpCoarse(LittleDiracOpPV);
//////////////////////////////////////////////////////////////////////
// Baseline: plain PGCR on LinOpCoarse (reference for comparison)
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: plain PGCR baseline"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2PGCR_baseline(3.0e-2,1100,LinOpCoarse,simpleC,10,10);
L2PGCR_baseline.Level(2);
L2PGCR_baseline.Name("Cbaseline");
c_src = one;
c_res = Zero();
L2PGCR_baseline(c_src,c_res);
//////////////////////////////////////////////////////////////////////
// psi_coarse: coarse projections of pre-GS fine null vectors.
// These are the Level 1 near-null vectors, promoted from Level 0.
// Used as the aggregation basis for Level 1→2 coarsening.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseVector> psi_coarse(nbasis, Coarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesPD.ProjectToSubspace(psi_coarse[k], subspace[k]);
//////////////////////////////////////////////////////////////////////
// Diagnostics: W (fine projected matrix) and C (Galerkin check)
//////////////////////////////////////////////////////////////////////
{
Eigen::MatrixXcd W = Eigen::MatrixXcd::Zero(nbasis, nbasis);
LatticeFermion ftmp(FGrid);
for (int j = 0; j < nbasis; j++) {
PVdagM.Op(subspace[j], ftmp);
for (int i = 0; i < nbasis; i++)
W(i,j) = TensorRemove(innerProduct(subspace[i], ftmp));
}
RealD normW = W.norm();
std::cout << GridLogMessage << "Fine projected matrix ||W|| = " << normW << std::endl;
Eigen::MatrixXcd C = Eigen::MatrixXcd::Zero(nbasis, nbasis);
CoarseVector Ac(Coarse5d);
for (int l = 0; l < nbasis; l++) {
LinOpCoarse.Op(psi_coarse[l], Ac);
for (int k = 0; k < nbasis; k++)
C(k,l) = TensorRemove(innerProduct(psi_coarse[k], Ac));
}
RealD normC = C.norm();
RealD normCmCdag = (C - C.adjoint()).norm();
std::cout << GridLogMessage << "Coarse null matrix ||C|| = " << normC << std::endl;
std::cout << GridLogMessage << "Coarse null matrix ||C - C†||/||C|| = " << normCmCdag/normC << std::endl;
std::cout << GridLogMessage << "Galerkin check ||C||/||W|| = " << normC/normW << std::endl;
}
//////////////////////////////////////////////////////////////////////
// Level 1→2: set up aggregation using psi_coarse as subspace.
// Block factor 2,2,3,2 (removes odd local sublattice in z given MPI
// geometry 3×6×4×4 where z-local at Level 1 is 6).
// psi_coarse are assigned directly; CoarsenOperator performs
// block-GS orthogonalisation before building LinOpCoarseCoarse.
//////////////////////////////////////////////////////////////////////
// innerProduct(CoarseSiteObj, CoarseSiteObj) returns iScalar<vTComplex>, so CComplex
// for the L1→L2 level must be iScalar<vTComplex>, not vTComplex.
typedef typename CoarseVector::vector_object CoarseSiteObj;
typedef iScalar<vTComplex> vTTComplex;
typedef GeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,NB> LittleDiracOperatorL2;
typedef typename LittleDiracOperatorL2::CoarseVector CoarseCoarseVector;
typedef Aggregation<CoarseSiteObj,vTTComplex,NB> SubspaceL2;
typedef MGPreconditioner<CoarseSiteObj,vTTComplex,NB> L1to2MG;
SubspaceL2 AggregatesL2(CoarseCoarse5d, Coarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL2.subspace[k] = psi_coarse[k];
NextToNearestStencilGeometry5D geom2(CoarseCoarse5d);
LittleDiracOperatorL2 LittleDiracOpL2(geom2, Coarse5d, CoarseCoarse5d);
LittleDiracOpL2.CoarsenOperator(LinOpCoarse, AggregatesL2);
NonHermitianLinearOperator<LittleDiracOperatorL2,CoarseCoarseVector> LinOpCC(LittleDiracOpL2);
TrivialPrecon<CoarseCoarseVector> simpleCC;
//////////////////////////////////////////////////////////////////////
// Lüscher deflation guesser for L3PGCR.
// Step 1: project psi_coarse[k] (promoted fine null vectors) to
// CoarseCoarseVector space — these cover the zero-momentum
// component of the near-null space of LinOpCC.
// Step 2: breed Nextra additional null vectors directly on LinOpCC
// using GCR with random sources — these pick up near-null
// modes at all spatial frequencies not spanned by step 1.
// Step 3: build C_{st} = <psi_cc[s]|LinOpCC|psi_cc[t]> over the
// full augmented basis and invert directly via Eigen LU.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseCoarseVector> psi_cc(nbasis, CoarseCoarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesL2.ProjectToSubspace(psi_cc[k], psi_coarse[k]);
{
int Nextra = nbasis; // breed as many extra as we have promoted ones
if ( getenv("CC_NEXTRA") ) Nextra = atoi(getenv("CC_NEXTRA"));
GridParallelRNG RNG_CC(CoarseCoarse5d);
RNG_CC.SeedFixedIntegers({11,13,17,19});
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
nullGCR(1e-2, 200, LinOpCC, simpleCC, 32, 32);
CoarseCoarseVector tmp(CoarseCoarse5d);
for (int k = 0; k < Nextra; k++) {
CoarseCoarseVector src(CoarseCoarse5d);
gaussian(RNG_CC, src);
tmp = Zero();
nullGCR(src, tmp);
psi_cc.push_back(tmp);
}
std::cout << GridLogMessage << "LinOpCC deflation basis: " << nbasis
<< " promoted + " << Nextra << " bred = " << psi_cc.size() << " total" << std::endl;
}
const int Naug = psi_cc.size();
Eigen::MatrixXcd Ccc = Eigen::MatrixXcd::Zero(Naug, Naug);
{
CoarseCoarseVector Acc(CoarseCoarse5d);
for (int l = 0; l < Naug; l++) {
LinOpCC.Op(psi_cc[l], Acc);
for (int k = 0; k < Naug; k++)
Ccc(k,l) = TensorRemove(innerProduct(psi_cc[k], Acc));
}
}
{
RealD normCcc = Ccc.norm();
RealD normCccmCdag = (Ccc - Ccc.adjoint()).norm();
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc|| = " << normCcc << std::endl;
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc-Ccc†||/||Ccc|| = " << normCccmCdag/normCcc << std::endl;
}
Eigen::MatrixXcd Ccc_inv = Ccc.inverse();
LuscherGuesser<CoarseCoarseVector> CCDeflGuesser(psi_cc, Ccc_inv);
//////////////////////////////////////////////////////////////////////
// Level 2→3: coarsen LinOpCC using the RAW promoted psi_cc as aggregation
// to build the Level 4 (coarse-coarse-coarse) operator.
// psi_cc[0..nbasis-1] are the coarse-coarse near-null vectors, projected
// from the RAW psi_coarse (themselves projected from the RAW fine null
// vectors) -- the pre-block-GS chain the whole construction depends on.
// CoarsenOperator block-GS orthogonalises AggregatesL3.subspace IN PLACE,
// so assign COPIES of psi_cc and keep psi_cc itself raw.
//
// Tensor depth deepens once more: innerProduct(CoarseCoarseSiteObj,...) returns
// iScalar<vTTComplex>, so CComplex for the L2→L3 level is iScalar<iScalar<vTComplex>>.
//////////////////////////////////////////////////////////////////////
typedef typename CoarseCoarseVector::vector_object CoarseCoarseSiteObj;
typedef iScalar<vTTComplex> vTTTComplex;
typedef GeneralCoarsenedMatrix<CoarseCoarseSiteObj,vTTTComplex,NB> LittleDiracOperatorL3;
typedef typename LittleDiracOperatorL3::CoarseVector CoarseCoarseCoarseVector;
typedef Aggregation<CoarseCoarseSiteObj,vTTTComplex,NB> SubspaceL3;
typedef MGPreconditioner<CoarseCoarseSiteObj,vTTTComplex,NB> L2to3MG;
SubspaceL3 AggregatesL3(CoarseCoarseCoarse5d, CoarseCoarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL3.subspace[k] = psi_cc[k]; // raw promoted; COPY, keeps psi_cc raw
NextToNearestStencilGeometry5D geom3(CoarseCoarseCoarse5d);
LittleDiracOperatorL3 LittleDiracOpL3(geom3, CoarseCoarse5d, CoarseCoarseCoarse5d);
LittleDiracOpL3.CoarsenOperator(LinOpCC, AggregatesL3); // block-GS's AggregatesL3.subspace in place
NonHermitianLinearOperator<LittleDiracOperatorL3,CoarseCoarseCoarseVector> LinOpCCC(LittleDiracOpL3);
TrivialPrecon<CoarseCoarseCoarseVector> simpleCCC;
//////////////////////////////////////////////////////////////////////
// Level 3→4: coarsen LinOpCCC to build the Level 5 operator, using a
// TRUNCATED basis of only the first NB5 (< nbasis) raw promoted null vectors.
// psi_ccc[k] = raw psi_cc projected through the (block-GS'd) L3 aggregation
// -- the pre-block-GS chain continued one level deeper. We keep only the
// leading NB5: after the global orthogonalisation of the original fine null
// vectors the early indices retain the most-null content (shared low-mode
// components are peeled in first), so the leading NB5 are the crudely-most-
// null slice. This is the cheap "first 30" truncation test; a principled
// sigma-ordered rotation of psi_ccc would replace the slice, not the idea.
// NB: a positive result is conservative (sigma-ordering can only help); a
// negative one is inconclusive until the sigma-ordered NB5 is tried.
//
// Tensor depth deepens once more: CComplex for the L3→L4 level is
// iScalar<vTTTComplex>. NB5 (the coarse dimension) is independent of the
// depth -- it just makes the coarsest site vector NB5-dimensional.
//////////////////////////////////////////////////////////////////////
const int NB5 = 30; // compile-time: changing it re-instantiates the L4/L5 tensors
std::cout << GridLogMessage << "PARAM NB5 (truncated coarsest basis) = " << NB5 << std::endl;
assert(NB5 <= nbasis);
std::vector<CoarseCoarseCoarseVector> psi_ccc(nbasis, CoarseCoarseCoarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesL3.ProjectToSubspace(psi_ccc[k], psi_cc[k]); // raw psi_cc -> L4 null vectors
//////////////////////////////////////////////////////////////////////
// Optional sigma-ordering of psi_ccc (SVD_REORDER set): replace the crude
// first-NB5 slice with the NB5 genuinely-most-null directions of span(psi_ccc)
// under LinOpCCC. For a NON-NORMAL operator the nullness measure is the
// singular value of A restricted to the span -- eig of Q†A†AQ -- NOT the
// numerical range Q†AQ (which non-normality contaminates). Robust route:
// whiten by the Gram (drop near-dependent directions), Hermitian-eig the
// whitened A†A, rotate. The printed singular spectrum IS the SVD study: where
// it falls off tells you the natural NB5, and the same numbers illuminate why
// the earlier singular-subspace deflation re-entered. Safe here because we
// ORDER vectors that then feed a Galerkin projection, not REMOVE a subspace.
// Default (unset) leaves psi_ccc in raw order == the "first 30" test.
//////////////////////////////////////////////////////////////////////
if ( getenv("SVD_REORDER") ) {
std::cout << GridLogMessage << "SVD_REORDER: sigma-ordering psi_ccc under LinOpCCC" << std::endl;
Eigen::MatrixXcd G(nbasis,nbasis); // Gram = Psi^dag Psi
for (int i=0;i<nbasis;i++)
for (int j=0;j<nbasis;j++)
G(i,j) = TensorRemove(innerProduct(psi_ccc[i],psi_ccc[j]));
std::vector<CoarseCoarseCoarseVector> Apsi(nbasis, CoarseCoarseCoarse5d);
for (int j=0;j<nbasis;j++) LinOpCCC.Op(psi_ccc[j], Apsi[j]);
Eigen::MatrixXcd M(nbasis,nbasis); // A^dagA = Psi^dag A^dag A Psi
for (int i=0;i<nbasis;i++)
for (int j=0;j<nbasis;j++)
M(i,j) = TensorRemove(innerProduct(Apsi[i],Apsi[j]));
// Whiten by the Gram: G = Ug diag(g) Ug^dag; keep g > tol*max; T = Ug diag(1/sqrt g).
// Q = Psi T is then orthonormal (Q^dag Q = T^dag G T = I).
Eigen::SelfAdjointEigenSolver<Eigen::MatrixXcd> esG(G);
Eigen::VectorXd g = esG.eigenvalues(); // ascending, real
RealD gmax = g(nbasis-1);
RealD gtol = 1.0e-9 * gmax;
int keep = 0; for (int i=0;i<nbasis;i++) if (g(i) > gtol) keep++;
std::cout << GridLogMessage << " Gram spectrum: min=" << g(0) << " max=" << gmax
<< " cond=" << gmax/std::max(g(0),1.0e-300) << " keep=" << keep << "/" << nbasis << std::endl;
assert(keep >= NB5);
Eigen::MatrixXcd T(nbasis, keep); // whitening (largest-g first)
{ int c=0;
for (int i=nbasis-1;i>=0;i--) if (g(i) > gtol) { T.col(c) = esG.eigenvectors().col(i)/std::sqrt(g(i)); c++; }
}
Eigen::MatrixXcd Mw = T.adjoint() * M * T; // whitened A^dagA (keep x keep, Hermitian)
Eigen::SelfAdjointEigenSolver<Eigen::MatrixXcd> esM(Mw);
Eigen::VectorXd s2 = esM.eigenvalues(); // ascending sigma^2 (most-null first)
std::cout << GridLogMessage << " Singular spectrum sigma_k (most-null first):" << std::endl;
for (int k=0;k<keep;k++)
std::cout << GridLogMessage << " sigma[" << k << "] = " << std::sqrt(std::max(s2(k),0.0)) << std::endl;
Eigen::MatrixXcd R = T * esM.eigenvectors(); // coeffs over Psi, sigma-ordered orthonormal dirs
std::vector<CoarseCoarseCoarseVector> phi(keep, CoarseCoarseCoarse5d);
for (int k=0;k<keep;k++) {
phi[k] = Zero();
for (int j=0;j<nbasis;j++)
phi[k] = phi[k] + ComplexD(R(j,k)) * psi_ccc[j];
}
for (int k=0;k<keep;k++) psi_ccc[k] = phi[k]; // psi_ccc[0..NB5-1] now = most-null dirs
std::cout << GridLogMessage << "SVD_REORDER: psi_ccc replaced by sigma-ordered directions" << std::endl;
}
typedef typename CoarseCoarseCoarseVector::vector_object CoarseCoarseCoarseSiteObj;
typedef iScalar<vTTTComplex> vTTTTComplex;
typedef GeneralCoarsenedMatrix<CoarseCoarseCoarseSiteObj,vTTTTComplex,NB5> LittleDiracOperatorL4;
typedef typename LittleDiracOperatorL4::CoarseVector CoarseCoarseCoarseCoarseVector;
typedef Aggregation<CoarseCoarseCoarseSiteObj,vTTTTComplex,NB5> SubspaceL4;
typedef MGPreconditioner<CoarseCoarseCoarseSiteObj,vTTTTComplex,NB5> L3to4MG;
SubspaceL4 AggregatesL4(CoarseCoarseCoarseCoarse5d, CoarseCoarseCoarse5d, cb);
for (int k = 0; k < NB5; k++)
AggregatesL4.subspace[k] = psi_ccc[k]; // FIRST NB5 raw promoted vectors (truncation)
NextToNearestStencilGeometry5D geom4(CoarseCoarseCoarseCoarse5d);
LittleDiracOperatorL4 LittleDiracOpL4(geom4, CoarseCoarseCoarse5d, CoarseCoarseCoarseCoarse5d);
LittleDiracOpL4.CoarsenOperator(LinOpCCC, AggregatesL4); // block-GS's AggregatesL4.subspace in place
NonHermitianLinearOperator<LittleDiracOperatorL4,CoarseCoarseCoarseCoarseVector> LinOpCCCC(LittleDiracOpL4);
TrivialPrecon<CoarseCoarseCoarseCoarseVector> simpleCCCC;
//////////////////////////////////////////////////////////////////////
// Level 5 bottom solve: GCR on a SHIFTED LinOpCCCC (the coarsest, most
// non-normal operator). l5_shift slides its field of values off the origin;
// defaults to 0.0 (bare LinOpCCCC) until opted in. This is the level a dense
// direct inverse would eventually replace: rank = NB5 * sites(clatt4).
//////////////////////////////////////////////////////////////////////
RealD l5_shift = 0.0;
if(getenv("l5_shift")) l5_shift = atof(getenv("l5_shift"));
std::cout << GridLogMessage << "PARAM l5_shift = " << l5_shift << std::endl;
ShiftedLinearOperator<CoarseCoarseCoarseCoarseVector> ShiftedLinOpCCCC(l5_shift, LinOpCCCC);
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseCoarseCoarseVector> L5PGCR(1.0e-1,200,ShiftedLinOpCCCC,simpleCCCC,16,16);
L5PGCR.Level(5);
L5PGCR.Name("CCCCouter");
//////////////////////////////////////////////////////////////////////
// Level 3→4 V-cycle: depth-2 SHIFTED smoother on LinOpCCC + Level 5 bottom.
// Level 4 is no longer the bottom -- it is smoothed shallowly and recursed to
// Level 5, mirroring how Level 3 recurses to Level 4.
//////////////////////////////////////////////////////////////////////
RealD ccc_smoother_shift = 0.05;
int ccc_smoother_nstep = 2;
if(getenv("ccc_smoother_shift")) ccc_smoother_shift = atof(getenv("ccc_smoother_shift"));
if(getenv("ccc_smoother_nstep")) ccc_smoother_nstep = atoi(getenv("ccc_smoother_nstep"));
ShiftedLinearOperator<CoarseCoarseCoarseVector> ShiftedLinOpCCC(ccc_smoother_shift, LinOpCCC);
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseCoarseVector>
CoarseCoarseCoarseSmootherGCR(0.01,1,ShiftedLinOpCCC,simpleCCC,ccc_smoother_nstep,ccc_smoother_nstep);
CoarseCoarseCoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseCoarseCoarseSmootherGCR.Level(4);
CoarseCoarseCoarseSmootherGCR.Name("CCCsmoother");
L3to4MG L3to4Precon(AggregatesL4,
LinOpCCC,
simpleCCC, // no pre-smoother
CoarseCoarseCoarseSmootherGCR, // post-smoother: depth-2 shifted GCR
LinOpCCCC,
L5PGCR,
simpleCCCC); // trivial guesser at the bottom
//////////////////////////////////////////////////////////////////////
// Level 4 (coarse-coarse-coarse) solve: GCR preconditioned by the L3→L4 V-cycle.
//////////////////////////////////////////////////////////////////////
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseCoarseVector> L4MGsolver(1.0e-1,200,LinOpCCC,L3to4Precon,16,16);
L4MGsolver.Level(4);
L4MGsolver.Name("CCCouter");
//////////////////////////////////////////////////////////////////////
// Level 2→3 V-cycle: depth-2 SHIFTED smoother on LinOpCC + Level 4 solve.
// The shift slides the coarse-coarse field of values off the origin so a
// 2-step smoother has something to bite on a non-normal operator (IRS idea).
//////////////////////////////////////////////////////////////////////
RealD cc_smoother_shift = 0.01;
int cc_smoother_nstep = 2;
if(getenv("cc_smoother_shift")) cc_smoother_shift = atof(getenv("cc_smoother_shift"));
if(getenv("cc_smoother_nstep")) cc_smoother_nstep = atoi(getenv("cc_smoother_nstep"));
ShiftedLinearOperator<CoarseCoarseVector> ShiftedLinOpCC(cc_smoother_shift, LinOpCC);
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
CoarseCoarseSmootherGCR(0.01,1,ShiftedLinOpCC,simpleCC,cc_smoother_nstep,cc_smoother_nstep);
CoarseCoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseCoarseSmootherGCR.Level(3);
CoarseCoarseSmootherGCR.Name("CCsmoother");
L2to3MG L2to3Precon(AggregatesL3,
LinOpCC,
simpleCC, // no pre-smoother
CoarseCoarseSmootherGCR, // post-smoother: depth-2 shifted GCR
LinOpCCC,
L4MGsolver, // coarse solve is now the L3→L4 V-cycle
simpleCCC); // trivial guesser
//////////////////////////////////////////////////////////////////////
// Level 3 (coarse-coarse) solve: GCR preconditioned by the L2→L3 V-cycle.
// Replaces the plain L3PGCR of the 3-level build -- the coarse-coarse level
// is now smoothed shallowly and recursed rather than solved deeply.
//////////////////////////////////////////////////////////////////////
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector> L3MGsolver(1.0e-1,200,LinOpCC,L2to3Precon,16,16);
L3MGsolver.Level(3);
L3MGsolver.Name("CCouter");
//////////////////////////////////////////////////////////////////////
// Coarse-level GCR smoother for Level 1→2 V-cycle.
// Mirrors fine-grid SmootherGCR: shifted operator + fixed step count.
// coarse_smoother_shift and coarse_smoother_nstep are the tuning knobs.
//////////////////////////////////////////////////////////////////////
RealD coarse_smoother_shift = 0.01;
int coarse_smoother_nstep = 2; // depth-2 smoother on the coarse level
if(getenv("coarse_smoother_shift")) coarse_smoother_shift = atof(getenv("coarse_smoother_shift"));
if(getenv("coarse_smoother_nstep")) coarse_smoother_nstep = atoi(getenv("coarse_smoother_nstep"));
ShiftedLinearOperator<CoarseVector> ShiftedLinOpCoarse(coarse_smoother_shift, LinOpCoarse);
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> CoarseSmootherGCR(0.01,1,ShiftedLinOpCoarse,simpleC,coarse_smoother_nstep,coarse_smoother_nstep);
CoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseSmootherGCR.Level(2);
CoarseSmootherGCR.Name("Csmoother");
//////////////////////////////////////////////////////////////////////
// Level 1→2 V-cycle preconditioner.
//////////////////////////////////////////////////////////////////////
L1to2MG L1to2Precon(AggregatesL2,
LinOpCoarse,
simpleC, // no pre-smoother (matches fine-grid setup)
CoarseSmootherGCR, // post-smoother: depth-2 shifted GCR
LinOpCC,
L3MGsolver, // coarse-coarse solve is now the L2→L3 V-cycle
CCDeflGuesser); // Lüscher guesser: psi_cc C^{-1} psi_cc†
//////////////////////////////////////////////////////////////////////
// Standalone Level 1 two-level solve test.
// Compare against plain PGCR baseline above.
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: two-level MG preconditioned PGCR"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2MGsolver(3.0e-2,200,LinOpCoarse,L1to2Precon,16,16);
L2MGsolver.Level(2);
L2MGsolver.Name("Couter");
c_res = Zero();
L2MGsolver(c_src,c_res);
std::cout << GridLogMessage << "Level 1 two-level test: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
//////////////////////////////////////////////////////////////////////
// Full five-level outer solve
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Five-level outer solve"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD> SmootherGCR(0.01,1,ShiftedPVdagM,simple_fine,16,16);
SmootherGCR.SetZeroGuess(1); // pre/post smoother slots zero their guess
SmootherGCR.Level(1);
SmootherGCR.Name("Fsmoother");
f_src = one;
// Pre-smoother: none (TrivialPrecon); post-smoother: shifted PGCR.
// Coarse solver: L2MGsolver (PGCR preconditioned by Level 1→2 V-cycle).
TwoLevelMG ThreeLevelPrecon(AggregatesPD,
PVdagM,
simple_fine,
SmootherGCR,
LinOpCoarse,
L2MGsolver,
simpleC);
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermion> L1PGCR(1.0e-8,1000,PVdagM,ThreeLevelPrecon,16,16);
L1PGCR.Level(1);
L1PGCR.Name("Fouter");
f_res = Zero();
L1PGCR(f_src,f_res);
std::cout << GridLogMessage << "Five-level outer solve: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
}
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
const int Ls = 24;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
RealD mass = 0.00078;
if ( getenv("MASS") ) mass = atof(getenv("MASS"));
const int nbasis = 60;
std::cout << GridLogMessage << "Mass: " << mass << ", Ls: " << Ls << ", b=" << b << ", c=" << c << std::endl;
std::cout << GridLogMessage << "nbasis: " << nbasis << std::endl;
std::vector<int> lat_size {48, 48, 48, 96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Level 1 coarse grid: block 2^4 from fine (48×48×48×96 → 24×24×24×48, Ls=1)
Coordinate clatt = lat_size;
for (int d = 0; d < 4; d++) clatt[d] /= 2;
std::cout << GridLogMessage << "Level 1 coarse lattice: " << clatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
// Level 2 coarse-coarse grid: block 2,2,3,3 from Level 1 (24×24×24×48 → 12×12×8×16, Ls=1).
// MPI geometry 3.6.4.4 (288 ranks): fine local {16,8,12,24}.
// Level 1 local {8,4,6,12}; Level 2 local {4,2,2,4}.
// z blocked by 3: z-Level1-local=6; 6/3=2 (even), 6/2=3 (odd) → must use 3.
// t blocked by 3: t-Level1-local=12; 12/3=4 divisible by Nsimd=4 (gen-simd-width=64).
// t-block=2 gives t2-local=6, 6 mod 4 ≠ 0, fails Grid SIMD assertion. ✓
// With {4,2,2,4}: Nsimd=4 goes into x or t (both =4). ✓
Coordinate clatt2 = clatt;
clatt2[0] /= 2;
clatt2[1] /= 2;
clatt2[2] /= 3;
clatt2[3] /= 3;
std::cout << GridLogMessage << "Level 2 coarse-coarse lattice: " << clatt2 << std::endl;
GridCartesian *CoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt2, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarse4d);
// Level 3 coarse-coarse-coarse grid: block clatt2 = {12,12,8,16} -> {6,12,8,8}.
// GEOMETRY (mpi 3.6.4.4, Nsimd=4 => SIMD layout {1,1,2,2}, factor 2 on z and t):
// every grid needs z-local and t-local EVEN. clatt2-local is {4,2,2,4}, so
// z-local=2 is already at its minimum even value and CANNOT be blocked (2->1
// is odd and trips the SIMD assertion); y-local=2 would go to 1 (degenerate).
// Only x and t have room, so block {2,1,1,2}: clatt3 {6,12,8,8}, L4-local
// {2,2,2,2} -- all dims even and >=2. z stays unblocked by construction.
Coordinate clatt3 = clatt2;
clatt3[0] /= 2; // x: 12 -> 6 (x-local 4 -> 2)
// clatt3[1] (y) unblocked: y-local 2 -> blocking gives 1 (degenerate)
// clatt3[2] (z) unblocked: z-local 2 is SIMD-pinned even, cannot halve
clatt3[3] /= 2; // t: 16 -> 8 (t-local 4 -> 2)
std::cout << GridLogMessage << "Level 3 coarse-coarse-coarse lattice: " << clatt3 << std::endl;
GridCartesian *CoarseCoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt3, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarseCoarse4d);
// Level 4 coarse^4 grid: block clatt3 = {6,12,8,8} -> {3,6,8,8} via {2,2,1,1}.
// mpi 3.6.4.4 => clatt4-local {1,1,2,2}: z-local=2, t-local=2 stay EVEN (SIMD
// factor 2 pins them), so z,t are unblocked; x,y (SIMD factor 1) halve to
// local 1 -- fully distributed but legal for the halo-depth-1 NextToNearest
// stencil. 1152 sites; with NB5=30 that is the 34,560-rank coarsest operator
// a dense direct inverse would target.
Coordinate clatt4 = clatt3;
clatt4[0] /= 2; // x: 6 -> 3 (x-local 2 -> 1)
clatt4[1] /= 2; // y: 12 -> 6 (y-local 2 -> 1)
// clatt4[2] (z) unblocked: z-local 2 is SIMD-pinned even
// clatt4[3] (t) unblocked: t-local 2 is SIMD-pinned even
std::cout << GridLogMessage << "Level 4 coarse^4 lattice: " << clatt4 << std::endl;
GridCartesian *CoarseCoarseCoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt4, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarseCoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarseCoarseCoarse4d);
std::vector<int> seeds4({1,2,3,4});
std::vector<int> seeds5({5,6,7,8});
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
RealD b_ = 1.5;
RealD c_ = 0.5;
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b_,c_);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,1.0, M5,b_,c_);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
typedef MGPreconditioner<vSpinColourVector,vTComplex,nbasis> TwoLevelMG;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(0.01,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom(Coarse5d);
// Subspace cache: save after generation, reload on subsequent runs to skip expensive setup.
// Set SUBSPACE_FILE to override the default path.
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
// Check if subspace file exists (boss rank checks, result broadcast via GlobalSum).
uint64_t file_exists = 0;
if ( UGrid->IsBoss() ) {
std::ifstream f(subspace_file);
file_exists = f.good() ? 1 : 0;
}
UGrid->GlobalSum(file_exists);
const int cb = 0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ) {
std::cout << GridLogMessage << "*** Loading subspace from disk ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
// Insurance: GLOBAL (whole-lattice) orthonormalise, in case the cached file
// predates the GlobalOrthonormalise() that CreateSubspaceGCR now applies
// (Aggregates.h:196). It is span-preserving and makes the vectors globally
// orthonormal -- it is NOT the block Orthogonalise() below, so it does NOT
// cause the psi_coarse->e_k trap. It also (re)establishes the weak nullness
// gradient (shared most-null components peeled into the early indices) that
// the "first NB5" truncation relies on. Idempotent if the file was already
// globally orthonormal. The RAW subspace copy in runMG happens AFTER this
// call, so the raw-null (pre-block-GS) discipline is preserved.
AggregatesGCR.GlobalOrthonormalise();
// DO NOT block-orthogonalise here: runMG copies subspace[] as the RAW
// (pre-block-GS) basis and CoarsenOperator block-GS's it in place later.
// Orthogonalising now defeats the raw-null discipline (psi_coarse -> e_k)
// and poisons L2/L3/L4. See project_block_orthogonalise_leak.
// AggregatesGCR.Orthogonalise();
std::cout << GridLogMessage << "Subspace loaded, globally orthonormalised (raw block basis preserved)." << std::endl;
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
std::cout << GridLogMessage << "Subspace generation: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
saveSubspace(AggregatesGCR.subspace, subspace_file);
std::cout << GridLogMessage << "Subspace saved to: " << subspace_file << std::endl;
}
runMG<nbasis,PVdagM_t,ShiftedPVdagM_t,Subspace,LittleDiracOperator,CoarseVector,TwoLevelMG>(
FGrid,
Coarse5d,
CoarseCoarse5d,
CoarseCoarseCoarse5d,
CoarseCoarseCoarseCoarse5d,
geom,
PVdagM,
ShiftedPVdagM,
AggregatesGCR
);
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
+717
View File
@@ -0,0 +1,717 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_census.cc
Copyright (C) 2026
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 */
// Spectral census of the coarsened PVdagM operator A_c.
//
// Measures the three sets that discriminate between the candidate explanations
// for slow coarse-grid Krylov convergence:
//
// 0. Fine Ritz diagonal of RAW subspace vectors (pre-block-orthog).
// NB CoarsenOperator block-orthogonalises subspace[] IN PLACE; all
// nulliness/deflation bases must be built from a raw copy.
// 1. Adjoint correctness check <y|A x> == <A^dag y|x> (fail-fast)
// 2. Raw-vector coarse images vs A_c: RQ (must equal CENSUS 0 by Galerkin),
// ||A_c psi_c||/||psi_c||, and representability error
// 3. sigma_max^2 = lambda_max(A_c^dag A_c) via power method
// 4. Low singular values Chebyshev-filtered IRL on A_c^dag A_c
// -> sigma_min census = pseudospectrum of A_c evaluated at the origin
// 5. Half-plane margin lambda_min/max of H = (A_c + A_c^dag)/2
// -> min Re W(A_c); positive-real check (Eisenstat-Elman-Schultz bound)
//
// Interpretation:
// sigma_min ~ min|lambda|, ~nbasis tiny then gap : effectively normal, bipartite
// sigma_min ~ min|lambda|, dense low tail : normal but rank-starved
// sigma_min << min|lambda| : non-normal near origin
// lambda_min(H) < 0 : half-plane condition violated
//
// Requires the dagger code path in GeneralCoarsenedMatrix:
// _Adag allocated, PopulateAdag active, _Adag exchanged, hermitian=0.
//
// Env vars:
// MASS fermion mass (default 0.00078)
// SUBSPACE_FILE subspace cache path
// CoarseSolverShift shift baked into coarsening (default 0.0: pure Galerkin)
// CENSUS_NSTOP converged low modes wanted (default 60)
// CENSUS_NK Lanczos Nk (default 96)
// CENSUS_NM Lanczos Nm (default 192)
// CENSUS_TOL Lanczos residual (default 1e-5)
// CENSUS_MAXIT Lanczos max restarts (default 50)
// CHEBY_LO filter low edge in sigma^2 (default 4.0)
// CHEBY_HI filter high edge; 0 = auto from power method x1.1
// CHEBY_ORDER filter order (default 401)
// filter gain at 0 ~ cosh(order*2*sqrt(lo/hi)); with
// hi~2200, lo=4, order=401 => gain ~ 1e14. lo=0.01 at
// order 201 gives gain ~1.4 (stagnation).
#include <Grid/Grid.h>
#include <Grid/Grid_Eigen_Dense.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
using namespace std;
using namespace Grid;
RealD mass = 0.00078;
RealD CoarseSolverShift = 0.0;
int CensusNstop = 60;
int CensusNk = 96;
int CensusNm = 192;
RealD CensusTol = 1.0e-5;
int CensusMaxIt = 50;
RealD ChebyLo = 4.0; // sigma^2 cutoff: amplifies sigma < 2. Filter gain ~ cosh(order*2*sqrt(lo/hi))
RealD ChebyHi = 0.0; // 0 => auto: 1.1 * power-method sigma_max^2
int ChebyOrder = 401;
RealD CGdeflTol = 1.0e-8; // CENSUS 6 deflated-CG tolerance
int CGdeflMaxIt = 4000; // CENSUS 6 deflated-CG max iterations
int DeflRank = 0; // CENSUS 6 deflation rank; 0 => all available per basis
void ParseEnvironment(void)
{
if(getenv("MASS")) mass = atof(getenv("MASS"));
if(getenv("CoarseSolverShift")) CoarseSolverShift = atof(getenv("CoarseSolverShift"));
if(getenv("CENSUS_NSTOP")) CensusNstop = atoi(getenv("CENSUS_NSTOP"));
if(getenv("CENSUS_NK")) CensusNk = atoi(getenv("CENSUS_NK"));
if(getenv("CENSUS_NM")) CensusNm = atoi(getenv("CENSUS_NM"));
if(getenv("CENSUS_TOL")) CensusTol = atof(getenv("CENSUS_TOL"));
if(getenv("CENSUS_MAXIT")) CensusMaxIt = atoi(getenv("CENSUS_MAXIT"));
if(getenv("CHEBY_LO")) ChebyLo = atof(getenv("CHEBY_LO"));
if(getenv("CHEBY_HI")) ChebyHi = atof(getenv("CHEBY_HI"));
if(getenv("CHEBY_ORDER")) ChebyOrder = atoi(getenv("CHEBY_ORDER"));
if(getenv("CGDEFL_TOL")) CGdeflTol = atof(getenv("CGDEFL_TOL"));
if(getenv("CGDEFL_MAXIT")) CGdeflMaxIt = atoi(getenv("CGDEFL_MAXIT"));
if(getenv("DEFL_RANK")) DeflRank = atoi(getenv("DEFL_RANK"));
std::cout << GridLogMessage << "PARAM: MASS " << mass << std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSolverShift " << CoarseSolverShift << std::endl;
std::cout << GridLogMessage << "PARAM: CENSUS_NSTOP " << CensusNstop << std::endl;
std::cout << GridLogMessage << "PARAM: CENSUS_NK " << CensusNk << std::endl;
std::cout << GridLogMessage << "PARAM: CENSUS_NM " << CensusNm << std::endl;
std::cout << GridLogMessage << "PARAM: CENSUS_TOL " << CensusTol << std::endl;
std::cout << GridLogMessage << "PARAM: CENSUS_MAXIT " << CensusMaxIt << std::endl;
std::cout << GridLogMessage << "PARAM: CHEBY_LO " << ChebyLo << std::endl;
std::cout << GridLogMessage << "PARAM: CHEBY_HI " << ChebyHi << std::endl;
std::cout << GridLogMessage << "PARAM: CHEBY_ORDER " << ChebyOrder << std::endl;
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Saving subspace (" << subspace.size() << " vectors) to: " << fname << std::endl;
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);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Loading subspace (" << subspace.size() << " vectors) from: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,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){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
RealD shift;
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
out = out + shift * in;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(tmp,out);
_Mat.Mdag(in,tmp);
out = out + shift * in;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
// H = (A + A^dag)/2 : Hermitian part of the coarse operator.
// lambda_min(H) = min Re W(A) is the half-plane margin; the EES GCR
// convergence theorem requires it positive.
template<class Matrix,class Field>
class HermitianPartOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
public:
HermitianPartOperator(Matrix &Mat): _Mat(Mat) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ 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){
Field tmp(in.Grid());
_Mat.M(in,out);
_Mat.Mdag(in,tmp);
out = 0.5*(out + tmp);
}
};
// s*I - Op : power method on this gives s - lambda_min(Op) for Hermitian Op.
template<class Field>
class ShiftedNegatedOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD s;
public:
ShiftedNegatedOperator(RealD _s, LinearOperatorBase<Field> &Op): _Op(Op), s(_s) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ 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){
_Op.HermOp(in,out);
out = s*in - out;
}
};
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
ParseEnvironment();
const int Ls=24;
RealD M5=1.8;
RealD b=1.5;
RealD c=0.5;
const int nbasis = 60;
std::cout << GridLogMessage << "Census of coarse PVdagM: mass=" << mass << " Ls=" << Ls << " nbasis=" << nbasis << std::endl;
std::vector<int> lat_size {48, 48, 48, 96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Blocking: default matches Example_pvdagm.cc; override with e.g. BLOCK=2.2.2.2
Coordinate clatt = lat_size;
Coordinate Block({4,4,6,4});
if ( getenv("BLOCK") ) {
GridCmdOptionIntVector(std::string(getenv("BLOCK")),Block);
GRID_ASSERT(Block.size()==4);
}
for(int d=0;d<clatt.size();d++){
GRID_ASSERT(lat_size[d] % Block[d] == 0);
clatt[d] = lat_size[d]/Block[d];
}
std::cout << GridLogMessage << "Block " << Block << " coarse lattice " << clatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers({5,6,7,8});
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers({1,2,3,4});
GridParallelRNG CRNG(Coarse5d); CRNG.SeedFixedIntegers({5,6,7,8});
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b,c);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,1.0, M5,b,c);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(CoarseSolverShift,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom(Coarse5d);
//////////////////////////////////////////////////////////////////////
// Subspace: load from cache or generate
//////////////////////////////////////////////////////////////////////
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
uint64_t file_exists = 0;
if ( UGrid->IsBoss() ) {
std::ifstream f(subspace_file);
file_exists = f.good() ? 1 : 0;
}
UGrid->GlobalSum(file_exists);
const int cb = 0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ) {
std::cout << GridLogMessage << "*** Loading subspace from disk ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
saveSubspace(AggregatesGCR.subspace, subspace_file);
}
//////////////////////////////////////////////////////////////////////
// Keep the RAW (pre-block-orthogonalisation) near-null vectors.
// CoarsenOperator block-orthogonalises subspace[] IN PLACE, after which
// subspace[k] is the orthonormal basis phi_k and Project(phi_k) = e_k,
// the block-constant unit vector -- NOT a near-null direction.
// All nulliness measurements and any deflation basis must use raw[].
//////////////////////////////////////////////////////////////////////
std::vector<LatticeFermionD> raw(nbasis,FGrid);
for(int k=0;k<nbasis;k++) raw[k] = AggregatesGCR.subspace[k];
//////////////////////////////////////////////////////////////////////
// CENSUS 0: fine-grid Ritz diagonal on the loaded/generated raw vectors.
// Expect Re <psi|A|psi>/<psi|psi> ~ the nulliness achieved at generation
// (~2e-3). O(0.1-10) values mean the cache holds orthogonalised vectors
// and must be regenerated.
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 0: fine Ritz diagonal of raw subspace vectors" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
{
LatticeFermionD Ap(FGrid);
for(int k=0;k<nbasis;k++){
PVdagM.Op(raw[k],Ap);
RealD n2psi = norm2(raw[k]);
ComplexD rq = innerProduct(raw[k],Ap)/n2psi;
std::cout << GridLogMessage << "CENSUS: raw[" << k << "] <psi|A|psi>/<psi|psi> = " << rq
<< " ||A psi||/||psi|| = " << std::sqrt(norm2(Ap)/n2psi) << std::endl;
}
}
//////////////////////////////////////////////////////////////////////
// Coarsen. hermitian=0 is REQUIRED: enables PopulateAdag so that
// Mdag applies A^dag rather than silently aliasing to A.
//////////////////////////////////////////////////////////////////////
LittleDiracOperator LittleDiracOpPV(geom,FGrid,Coarse5d,0);
if ( CoarseSolverShift != 0.0 ) {
std::cout << GridLogMessage << "Coarsening SHIFTED operator, shift=" << CoarseSolverShift << std::endl;
LittleDiracOpPV.CoarsenOperator(ShiftedPVdagM, AggregatesGCR);
} else {
std::cout << GridLogMessage << "Coarsening pure Galerkin operator (no shift)" << std::endl;
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesGCR);
}
CoarseVector c_x(Coarse5d);
CoarseVector c_y(Coarse5d);
CoarseVector c_t1(Coarse5d);
CoarseVector c_t2(Coarse5d);
//////////////////////////////////////////////////////////////////////
// CENSUS 1: adjoint correctness (fail fast)
// <y|A x> == <A^dag y|x> for random x,y
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 1: adjoint correctness of dagger code path" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
random(CRNG,c_x);
random(CRNG,c_y);
LittleDiracOpPV.M (c_x,c_t1); // A x
LittleDiracOpPV.Mdag(c_y,c_t2); // A^dag y
ComplexD ip1 = innerProduct(c_y,c_t1); // <y|A x>
ComplexD ip2 = innerProduct(c_t2,c_x); // <A^dag y|x>
RealD reldiff = abs(ip1-ip2)/abs(ip1);
std::cout << GridLogMessage << "CENSUS: <y|Ax> = " << ip1 << std::endl;
std::cout << GridLogMessage << "CENSUS: <Adag y|x> = " << ip2 << std::endl;
std::cout << GridLogMessage << "CENSUS: rel diff = " << reldiff << " (expect ~1e-14; FAIL if O(1))" << std::endl;
GRID_ASSERT(reldiff < 1.0e-8);
// Coarse near-null ("global") vectors psi_c[k] = P^dag raw[k], stored for the
// Ritz-matrix + deflation study in CENSUS 6 (filled in CENSUS 2's projection
// loop below, before raw[]/subspace[] are freed).
std::vector<CoarseVector> psi_c(nbasis,Coarse5d);
//////////////////////////////////////////////////////////////////////
// CENSUS 2: nulliness of the RAW vectors' coarse images against A_c.
// psi_c[k] = P^dag raw[k]. Galerkin guarantees the Rayleigh quotient
// equals CENSUS 0's fine value exactly (raw[k] is in span of its own
// chopped pieces) -- agreement is a machine-precision validation of
// the coarsening. ||A_c psi_c||/||psi_c|| is the sigma-relevant norm.
// The representability column ||raw - P psi_c||/||raw|| must be ~eps.
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 2: raw-vector coarse images against coarse operator" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
{
LatticeFermionD back(FGrid);
for(int k=0;k<nbasis;k++){
AggregatesGCR.ProjectToSubspace(c_x, raw[k]);
psi_c[k] = c_x; // store coarse near-null vector for CENSUS 6
AggregatesGCR.PromoteFromSubspace(c_x, back);
back = back - raw[k];
RealD represent = std::sqrt(norm2(back)/norm2(raw[k]));
LittleDiracOpPV.M(c_x, c_t1);
RealD n2psi = norm2(c_x);
RealD n2Apsi= norm2(c_t1);
ComplexD rq = innerProduct(c_x,c_t1) / n2psi;
std::cout << GridLogMessage << "CENSUS: psi_c[" << k << "] <psi|A|psi>/<psi|psi> = " << rq
<< " ||A psi||/||psi|| = " << std::sqrt(n2Apsi/n2psi)
<< " represent_err = " << represent << std::endl;
}
}
// Fine subspace + raw copy are needed only through CENSUS 2; CENSUS 3-5 are
// entirely coarse (LittleDiracOpPV only), and the CENSUS 4 evec save writes the
// coarse vectors directly. Release the ~2*nbasis fine 5D fields (~14 GB/GCD at
// 2^4) HERE, before the order-ChebyOrder Lanczos whose padded coarse temporaries
// otherwise push host memory over the top on top of _A + _Adag (the AccCache
// CpuPtr!=NULL abort seen mid-iteration).
// Direct orthonormality check of the fine near-null vectors (GlobalOrthonormalise
// in CreateSubspaceGCR). raw is freed just below, so this runs here, not CENSUS 6.
// If this is ~0 but the coarse Gram S (CENSUS 6) is not, the gap is representability,
// not orthonormality.
{
Eigen::MatrixXcd Gfine(nbasis,nbasis);
for(int i=0;i<nbasis;i++){
for(int j=i;j<nbasis;j++){
ComplexD g = innerProduct(raw[i],raw[j]);
Gfine(i,j) = std::complex<double>(g.real(),g.imag());
Gfine(j,i) = std::conj(Gfine(i,j));
}
}
double GmI = (Gfine - Eigen::MatrixXcd::Identity(nbasis,nbasis)).norm();
std::cout << GridLogMessage << "CENSUS 2b: fine Gram ||<raw_i|raw_j> - I||_F = " << GmI
<< " (expect ~0 if fine vectors orthonormal)" << std::endl;
}
raw.clear(); raw.shrink_to_fit();
AggregatesGCR.subspace.clear(); AggregatesGCR.subspace.shrink_to_fit();
//////////////////////////////////////////////////////////////////////
// CENSUS 3: sigma_max^2 = lambda_max( A_c^dag A_c ) by power method
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 3: power method for sigma_max" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
MdagMLinearOperator<LittleDiracOperator,CoarseVector> HermOpAdagA(LittleDiracOpPV);
random(CRNG,c_x);
PowerMethod<CoarseVector> PM;
RealD sigmax2 = PM(HermOpAdagA,c_x);
std::cout << GridLogMessage << "CENSUS: lambda_max(AdagA) = " << sigmax2
<< " sigma_max = " << std::sqrt(sigmax2) << std::endl;
//////////////////////////////////////////////////////////////////////
// CENSUS 4: low singular values via Chebyshev-filtered IRL on A^dag A
// The low end of sigma(A_c) is the pseudospectrum of A_c at z=0.
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 4: Chebyshev-filtered Lanczos, low sigma^2" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
RealD cheby_hi = (ChebyHi > 0.0) ? ChebyHi : 1.1*sigmax2;
std::cout << GridLogMessage << "Chebyshev filter [" << ChebyLo << "," << cheby_hi << "] order " << ChebyOrder << std::endl;
// eval/evec/Nconv hoisted out of the block so CENSUS 6 can deflate with them.
std::vector<RealD> eval(CensusNm);
std::vector<CoarseVector> evec(CensusNm,Coarse5d);
int Nconv=0;
{
Chebyshev<CoarseVector> Cheby(ChebyLo,cheby_hi,ChebyOrder);
FunctionHermOp<CoarseVector> OpCheby(Cheby,HermOpAdagA);
PlainHermOp<CoarseVector> Op (HermOpAdagA);
ImplicitlyRestartedLanczos<CoarseVector> IRL(OpCheby,Op,CensusNstop,CensusNk,CensusNm,CensusTol,CensusMaxIt);
random(CRNG,c_x);
IRL.calc(eval,evec,c_x,Nconv);
std::cout << GridLogMessage << "CENSUS: converged " << Nconv << " modes of AdagA" << std::endl;
for(int i=0;i<Nconv;i++){
std::cout << GridLogMessage << "CENSUS: sigma[" << i << "]^2 = " << eval[i]
<< " sigma = " << std::sqrt(std::max(eval[i],0.0)) << std::endl;
}
// Optionally persist the low right-singular-vector basis: this IS the
// deflation basis for the coarse solve (ADEF1 / MultiRHSDeflation).
// Set CENSUS_EVEC_FILE to enable.
if ( getenv("CENSUS_EVEC_FILE") && Nconv>0 ) {
#ifdef HAVE_LIME
std::string evec_file(getenv("CENSUS_EVEC_FILE"));
std::string eval_file = evec_file + ".evals.xml";
std::cout << GridLogMessage << "CENSUS: saving " << Nconv << " singular vectors to " << evec_file << std::endl;
emptyUserRecord record;
ScidacWriter WR(evec[0].Grid()->IsBoss());
WR.open(evec_file);
for(int i=0;i<Nconv;i++) WR.writeScidacFieldRecord(evec[i],record);
WR.close();
XmlWriter WRx(eval_file);
std::vector<RealD> eval_out(eval.begin(),eval.begin()+Nconv); // don't shrink shared eval
write(WRx,"evals",eval_out);
#endif
}
}
// NB: evec/eval stay sized CensusNm (Lattice has no default ctor, so
// std::vector<CoarseVector>::resize won't instantiate). They match in size,
// which is all DeflatedGuesser asserts; CENSUS 6 only ever indexes [0,Nconv).
//////////////////////////////////////////////////////////////////////
// CENSUS 5: half-plane margin from the Hermitian part
// lambda_min(H) = min Re W(A_c) > 0 <=> positive-real (EES applies)
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 5: Hermitian part H=(A+Adag)/2, half-plane margin" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
HermitianPartOperator<LittleDiracOperator,CoarseVector> HermPart(LittleDiracOpPV);
random(CRNG,c_x);
RealD lamHmax = PM(HermPart,c_x);
std::cout << GridLogMessage << "CENSUS: lambda_max(H) = " << lamHmax << std::endl;
// lambda_min(H): most-negative eigenvalue via Chebyshev-filtered IRL on H.
// A shifted power method cannot separate it from the dense low tail (which is
// why the earlier -0.006 is suspect); Cheby(lo, hi>=lambda_max) amplifies the
// most-negative mode hardest so IRL isolates the true bottom of the spectrum.
RealD hpLo = getenv("HPLANE_CHEBY_LO") ? atof(getenv("HPLANE_CHEBY_LO")) : 0.1;
RealD hpHi = getenv("HPLANE_CHEBY_HI") ? atof(getenv("HPLANE_CHEBY_HI")) : 1.1*lamHmax;
int hpOrder = getenv("HPLANE_CHEBY_ORDER") ? atoi(getenv("HPLANE_CHEBY_ORDER")) : 61;
// Grid's Chebyshev filter MUST be odd order (positive for x < -1, where the low/
// negative modes map); an even order flips the sign there and the IRL blows up.
if(hpOrder%2==0){ hpOrder++;
std::cout<<GridLogMessage<<"HPLANE_CHEBY_ORDER forced odd -> "<<hpOrder<<std::endl; }
int hpNstop = getenv("HPLANE_NSTOP") ? atoi(getenv("HPLANE_NSTOP")) : 8;
int hpNk = getenv("HPLANE_NK") ? atoi(getenv("HPLANE_NK")) : 24;
int hpNm = getenv("HPLANE_NM") ? atoi(getenv("HPLANE_NM")) : 48;
RealD hpTol = getenv("HPLANE_TOL") ? atof(getenv("HPLANE_TOL")) : 1.0e-4;
int hpMaxIt = getenv("HPLANE_MAXIT") ? atoi(getenv("HPLANE_MAXIT")) : 20;
Chebyshev<CoarseVector> HCheby(hpLo,hpHi,hpOrder);
FunctionHermOp<CoarseVector> HOpCheby(HCheby,HermPart);
PlainHermOp<CoarseVector> HOpPlain(HermPart);
ImplicitlyRestartedLanczos<CoarseVector> HIRL(HOpCheby,HOpPlain,hpNstop,hpNk,hpNm,hpTol,hpMaxIt);
std::vector<RealD> heval(hpNm);
std::vector<CoarseVector> hevec(hpNm,Coarse5d);
int hNconv=0;
random(CRNG,c_x);
HIRL.calc(heval,hevec,c_x,hNconv);
RealD lamHmin = (hNconv>0) ? heval[0] : 9.99e99;
for(int kk=0;kk<hNconv;kk++) lamHmin = std::min(lamHmin, heval[kk]);
std::cout << GridLogMessage << "CENSUS: IRL H-bottom converged " << hNconv
<< " eigenvalues; most-negative = " << lamHmin << std::endl;
std::cout << GridLogMessage << "CENSUS: lambda_min(H) = " << lamHmin
<< " (positive-real / half-plane margin; NEGATIVE => GCR unguaranteed)" << std::endl;
//////////////////////////////////////////////////////////////////////
// CENSUS 6: Ritz matrix of the coarse near-null basis + deflated-CG study
//
// C_ij = <psi_c^i | A^dag A | psi_c^j>, S_ij = <psi_c^i | psi_c^j>.
// psi_c are NOT orthonormal (raw near-null projected to coarse), so the
// Rayleigh-Ritz problem is the GENERALISED Hermitian one C v = theta S v.
// Its eigenpairs (theta_i, g_i = sum_j V(j,i) psi_c^j) are the best approximate
// eigenpairs of A^dag A available from span{psi_c}; Eigen normalises so that
// V^dag S V = I, hence <g_i|g_j> = delta_ij and the g_i are an orthonormal
// DeflatedGuesser basis. Compare theta_i to the Lanczos sigma_i^2, then run
// three CG solves on A^dag A: [1] no deflation, [2] Lanczos-eigenvector
// deflated guess, [3] Ritz global-vector deflated guess (g_i treated as pure
// eigenvectors with eigenvalue theta_i).
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 6: Ritz matrix C_ij = <psi_c^i|AdagA|psi_c^j> + deflated CG" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
std::vector<CoarseVector> Apsi(nbasis,Coarse5d);
for(int j=0;j<nbasis;j++) HermOpAdagA.HermOp(psi_c[j],Apsi[j]); // A^dag A psi_c^j
Eigen::MatrixXcd Cmat(nbasis,nbasis);
Eigen::MatrixXcd Smat(nbasis,nbasis);
for(int i=0;i<nbasis;i++){
for(int j=0;j<nbasis;j++){
ComplexD cij = innerProduct(psi_c[i],Apsi[j]);
ComplexD sij = innerProduct(psi_c[i],psi_c[j]);
Cmat(i,j) = std::complex<double>(cij.real(),cij.imag());
Smat(i,j) = std::complex<double>(sij.real(),sij.imag());
}
}
{
Eigen::SelfAdjointEigenSolver<Eigen::MatrixXcd> ses(Smat);
Eigen::MatrixXcd Id = Eigen::MatrixXcd::Identity(nbasis,nbasis);
double SmI = (Smat - Id).norm(); // ||S - I||_F : ~0 iff psi_c orthonormal
std::cout << GridLogMessage << "CENSUS 6: Gram S eig range [" << ses.eigenvalues()(0)
<< ", " << ses.eigenvalues()(nbasis-1)
<< "] ||S - I||_F = " << SmI
<< " (expect ~0: fine vectors are GlobalOrthonormalise'd => psi_c orthonormal)" << std::endl;
}
Eigen::GeneralizedSelfAdjointEigenSolver<Eigen::MatrixXcd> ges(Cmat,Smat);
Eigen::VectorXd theta = ges.eigenvalues(); // ascending, real
Eigen::MatrixXcd Vr = ges.eigenvectors(); // columns; V^dag S V = I
int ncmp = std::min((int)nbasis,Nconv);
std::cout << GridLogMessage << "CENSUS 6: Ritz theta vs Lanczos sigma^2 (both ascending):" << std::endl;
for(int i=0;i<nbasis;i++){
if(i<ncmp)
std::cout << GridLogMessage << "CENSUS: theta["<<i<<"] = "<<theta(i)
<<" sqrt = "<<std::sqrt(std::max(theta(i),0.0))
<<" | sigma^2 = "<<eval[i]<<" theta/sigma^2 = "<<theta(i)/eval[i] << std::endl;
else
std::cout << GridLogMessage << "CENSUS: theta["<<i<<"] = "<<theta(i)
<<" sqrt = "<<std::sqrt(std::max(theta(i),0.0)) << std::endl;
}
// Ritz global vectors g_i = sum_j V(j,i) psi_c^j (S-orthonormal), eigenvalue theta_i
std::vector<CoarseVector> gvec(nbasis,Coarse5d);
std::vector<RealD> gval(nbasis);
for(int i=0;i<nbasis;i++){
gvec[i] = Zero();
for(int j=0;j<nbasis;j++){
ComplexD coeff(Vr(j,i).real(),Vr(j,i).imag());
axpy(gvec[i],coeff,psi_c[j],gvec[i]);
}
gval[i] = theta(i);
}
// How good are the diagonalised global vectors as actual eigenvectors of A^dag A?
{
CoarseVector Ag(Coarse5d), rr(Coarse5d);
int nchk = std::min((int)nbasis,16);
for(int i=0;i<nchk;i++){
HermOpAdagA.HermOp(gvec[i],Ag);
axpy(rr,-gval[i],gvec[i],Ag); // rr = A^dag A g - theta g
RealD rn = std::sqrt(norm2(rr));
std::cout << GridLogMessage << "CENSUS 6: Ritz resid ["<<i<<"] ||AdagA g - theta g||/theta = "
<< rn/std::max(gval[i],1.0e-30) << " (theta="<<gval[i]<<")" << std::endl;
}
}
// --- Three CG solves on A^dag A, common random source ---
int rankLanc = (DeflRank>0) ? std::min(DeflRank,Nconv) : Nconv;
int rankRitz = (DeflRank>0) ? std::min(DeflRank,(int)nbasis) : (int)nbasis;
std::cout << GridLogMessage << "CENSUS 6: CG tol "<<CGdeflTol<<" maxit "<<CGdeflMaxIt
<< " ; deflation ranks -- Lanczos "<<rankLanc<<", Ritz "<<rankRitz << std::endl;
CoarseVector cg_src(Coarse5d); random(CRNG,cg_src);
CoarseVector cg_x (Coarse5d);
ConjugateGradient<CoarseVector> CGdefl(CGdeflTol,CGdeflMaxIt,false);
cg_x = Zero();
CGdefl(HermOpAdagA,cg_src,cg_x);
std::cout << GridLogMessage << "CENSUS 6: [1] no deflation : iters = "
<< CGdefl.IterationsToComplete << " true_resid = " << CGdefl.TrueResidual << std::endl;
if(rankLanc>0){
DeflatedGuesser<CoarseVector> guessL(evec,eval,rankLanc);
guessL(cg_src,cg_x);
CGdefl(HermOpAdagA,cg_src,cg_x);
std::cout << GridLogMessage << "CENSUS 6: [2] Lanczos-evec deflation : iters = "
<< CGdefl.IterationsToComplete << " true_resid = " << CGdefl.TrueResidual << std::endl;
}
{
DeflatedGuesser<CoarseVector> guessR(gvec,gval,rankRitz);
guessR(cg_src,cg_x);
CGdefl(HermOpAdagA,cg_src,cg_x);
std::cout << GridLogMessage << "CENSUS 6: [3] Ritz-vector deflation : iters = "
<< CGdefl.IterationsToComplete << " true_resid = " << CGdefl.TrueResidual << std::endl;
}
//////////////////////////////////////////////////////////////////////
// Summary
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS SUMMARY" << std::endl;
std::cout << GridLogMessage << " sigma_max = " << std::sqrt(sigmax2) << std::endl;
std::cout << GridLogMessage << " lambda_max(H) = " << lamHmax << std::endl;
std::cout << GridLogMessage << " lambda_min(H) = " << lamHmin << std::endl;
std::cout << GridLogMessage << " low sigma census : see CENSUS 4 table above" << std::endl;
std::cout << GridLogMessage << " Compare min sigma with |lambda| from Krylov-Schur (Patrick):" << std::endl;
std::cout << GridLogMessage << " sigma_min ~ min|lambda| : effectively normal; deflation rank is the issue" << std::endl;
std::cout << GridLogMessage << " sigma_min << min|lambda|: non-normal; need two-sided/singular-vector deflation" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
+278
View File
@@ -0,0 +1,278 @@
/*
* Example_pvdagm_halfplane.cc
*
* Standalone fine-operator diagnostic: the EES half-plane margin of the
* (non-Hermitian) PV-preconditioned Mobius DWF operator
*
* A(m_adj) = D_adj^dag D_light (D_adj plays the Pauli-Villars role)
*
* as a function of the adjoint mass m_adj, dialled from the light quark mass
* up to the Pauli-Villars mass (=1). No coarse grid, no subspace, no Lanczos
* -- pure power-method spectral tests on the fine grid.
*
* Purpose: A is the LEFT preconditioner for inverting the light operator.
* To solve D_light X = B we iterate the preconditioned system
* (D_adj^dag D_light) X = D_adj^dag B ,
* whose solution X is independent of m_adj -- only the conditioning and the
* iterative convergence change. m_adj = m_light is the usual CGNR (symmetric
* normal equations); m_adj = 1 is the Pauli-Villars preconditioned system.
* The sweep asks which m_adj keeps the preconditioned operator well-behaved
* (positive-real / EES-guaranteed) while buying the wider spectral range.
*
* For the Hermitian part H(A) = (A + A^dag)/2 we measure, per m_adj:
*
* lambda_max(H) -- power method on H
* lambda_min(H) -- power method on (sI - H) => min Re W(A), the half-plane
* margin. EES (Eisenstat-Elman-Schultz 1983, Thm 3.3)
* GUARANTEES GCR convergence with rate
* [ 1 - lambda_min(H)^2 / sigma_max^2 ]^{1/2}
* ONLY when lambda_min(H) > 0 (positive-real / A's field
* of values in the open right half-plane). A negative
* value means the guarantee is lost (not that GCR
* diverges); the magnitude is then the distance-to-
* positive-realness, i.e. the shift/deflation needed to
* recover it.
* sigma_max -- power method on A^dag A (= A.HermOp)
*
* Endpoints:
* m_adj = m_light => A = M^dag M, Hermitian PD, positive-real by
* construction, lambda_min(H) = sigma_min^2 > 0 (the
* squared / CGNR operator).
* m_adj = 1 => A = PV^dag M, the standard PVdagM operator.
*
* Env: MASS, M5, MOBIUS_B, MOBIUS_C, LS, CONFIG,
* MADJ_LIST (comma separated) OR MADJ_MIN / MADJ_MAX / MADJ_N (geometric).
*
* Caveat: lambda_min(H) via a shifted power method can be soft when it sits
* near zero over a dense low spectrum. The SIGN and the TREND across m_adj
* are the robust signal; confirm an individual near-zero value with a proper
* shifted Lanczos if it is load-bearing.
*/
#include <Grid/Grid.h>
using namespace std;
using namespace Grid;
//////////////////////////////////////////////////////////////////////
// A = PV^dag M : Op = _PV.Mdag . _Mat.M , AdjOp = _Mat.Mdag . _PV.M
//////////////////////////////////////////////////////////////////////
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,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){ // A^dag A
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
//////////////////////////////////////////////////////////////////////
// H = (A + A^dag)/2 for a general non-Hermitian LinearOperator A.
//////////////////////////////////////////////////////////////////////
template<class Field>
class HermitianPartLinOp : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_A;
public:
HermitianPartLinOp(LinearOperatorBase<Field> &A): _A(A) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ 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){
Field tmp(in.Grid());
_A.Op(in,out); // A in
_A.AdjOp(in,tmp); // A^dag in
out = 0.5*(out + tmp);
}
};
//////////////////////////////////////////////////////////////////////
// s*I - Op : power method on this gives s - lambda_min(Op) for Hermitian Op.
//////////////////////////////////////////////////////////////////////
template<class Field>
class ShiftedNegatedOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD s;
public:
ShiftedNegatedOperator(RealD _s, LinearOperatorBase<Field> &Op): _Op(Op), s(_s) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ 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){
_Op.HermOp(in,out);
out = s*in - out;
}
};
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
RealD mass = 0.00078;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
int Ls = 24;
std::string config("ckpoint_lat.1000");
if(getenv("MASS")) mass = atof(getenv("MASS"));
if(getenv("M5")) M5 = atof(getenv("M5"));
if(getenv("MOBIUS_B")) b = atof(getenv("MOBIUS_B"));
if(getenv("MOBIUS_C")) c = atof(getenv("MOBIUS_C"));
if(getenv("LS")) Ls = atoi(getenv("LS"));
if(getenv("CONFIG")) config = std::string(getenv("CONFIG"));
// Adjoint-mass sweep: explicit list, or geometric MADJ_MIN..MADJ_MAX in MADJ_N steps.
std::vector<RealD> madj_list;
if(getenv("MADJ_LIST")){
std::stringstream ss(getenv("MADJ_LIST"));
std::string tok;
while(std::getline(ss,tok,',')) if(tok.size()) madj_list.push_back(std::stod(tok));
} else {
int N = getenv("MADJ_N") ? atoi(getenv("MADJ_N")) : 6;
RealD lo = getenv("MADJ_MIN") ? atof(getenv("MADJ_MIN")) : mass;
RealD hi = getenv("MADJ_MAX") ? atof(getenv("MADJ_MAX")) : 1.0;
GRID_ASSERT(N>=1);
for(int i=0;i<N;i++)
madj_list.push_back( (N==1) ? lo : lo*std::pow(hi/lo, double(i)/double(N-1)) );
}
// lambda_min(H) is the most-negative eigenvalue; resolved by Chebyshev-filtered
// Lanczos on H (a shifted power method cannot separate it from the dense low tail).
RealD HalfChebyLo = getenv("HALF_CHEBY_LO") ? atof(getenv("HALF_CHEBY_LO")) : 0.1;
RealD HalfChebyHi = getenv("HALF_CHEBY_HI") ? atof(getenv("HALF_CHEBY_HI")) : 0.0; // 0 => auto
int HalfChebyOrder = getenv("HALF_CHEBY_ORDER") ? atoi(getenv("HALF_CHEBY_ORDER")) : 61;
// Grid's Chebyshev filter MUST be odd order: only then is the polynomial positive
// for x < -1, the region the low/negative modes map to. An even order flips the
// sign there, the filtered operator explodes negative, and the IRL never converges.
if(HalfChebyOrder%2==0){ HalfChebyOrder++;
std::cout<<GridLogMessage<<"HALF_CHEBY_ORDER forced odd -> "<<HalfChebyOrder<<std::endl; }
int HalfNstop = getenv("HALF_NSTOP") ? atoi(getenv("HALF_NSTOP")) : 8;
int HalfNk = getenv("HALF_NK") ? atoi(getenv("HALF_NK")) : 24;
int HalfNm = getenv("HALF_NM") ? atoi(getenv("HALF_NM")) : 48;
RealD HalfTol = getenv("HALF_TOL") ? atof(getenv("HALF_TOL")) : 1.0e-4;
int HalfMaxIt = getenv("HALF_MAXIT") ? atoi(getenv("HALF_MAXIT")) : 20;
std::vector<int> lat = {48,48,48,96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers({5,6,7,8});
std::cout << GridLogMessage << "PARAM: MASS(light) " << mass << " M5 " << M5
<< " b " << b << " c " << c << " Ls " << Ls << std::endl;
std::cout << GridLogMessage << "PARAM: CONFIG " << config << std::endl;
LatticeGaugeField Umu(UGrid);
FieldMetaData header;
std::cout << GridLogMessage << "Reading gauge field " << config << std::endl;
NerscIO::readConfiguration(Umu,header,config);
// Fixed light operator (never changes across the sweep).
MobiusFermionD Dlight(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid, mass, M5, b, c);
LatticeFermionD x(FGrid);
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "FINE HALF-PLANE SWEEP A(m_adj) = D_adj^dag D_light" << std::endl;
std::cout << GridLogMessage << " m_adj = " << mass << " => M^dag M (positive-real); m_adj = 1 => PVdagM" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
for(auto madj : madj_list){
MobiusFermionD Dadj(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid, madj, M5, b, c);
PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> A(Dlight,Dadj); // A = Dadj^dag Dlight
HermitianPartLinOp<LatticeFermionD> H(A);
PowerMethod<LatticeFermionD> PM;
random(RNG5,x); RealD lamHmax = PM(H,x);
// lambda_min(H): most-negative eigenvalue via Chebyshev-filtered IRL on H.
// Cheby(lo,hi) amplifies eigenvalues below lo; with hi>=lambda_max(H) the most
// negative mode is amplified hardest, so IRL isolates the true bottom of the
// (possibly indefinite) spectrum where the shifted power method could not.
RealD fhi = (HalfChebyHi>0.0)? HalfChebyHi : 1.1*lamHmax;
Chebyshev<LatticeFermionD> Cheby(HalfChebyLo,fhi,HalfChebyOrder);
FunctionHermOp<LatticeFermionD> OpCheby(Cheby,H);
PlainHermOp<LatticeFermionD> OpPlain(H);
ImplicitlyRestartedLanczos<LatticeFermionD> IRL(OpCheby,OpPlain,HalfNstop,HalfNk,HalfNm,HalfTol,HalfMaxIt);
std::vector<RealD> heval(HalfNm);
std::vector<LatticeFermionD> hevec(HalfNm,FGrid);
int hNconv=0;
random(RNG5,x);
IRL.calc(heval,hevec,x,hNconv);
RealD lamHmin = (hNconv>0) ? heval[0] : 9.99e99;
for(int kk=0;kk<hNconv;kk++) lamHmin = std::min(lamHmin, heval[kk]);
std::cout << GridLogMessage << " (IRL H-bottom: " << hNconv
<< " converged, most-negative eval " << lamHmin << ")" << std::endl;
random(RNG5,x); RealD sigmax2 = PM(A,x); // A.HermOp = A^dag A
RealD sigmax = std::sqrt(sigmax2);
bool posreal = (lamHmin > 0.0);
RealD ratefac = posreal ? std::sqrt(1.0 - lamHmin*lamHmin/sigmax2) : 0.0; // EES per-iter
RealD iters8 = (posreal && ratefac < 1.0) ? std::log(1.0e-8)/std::log(ratefac) : 0.0;
std::cout << GridLogMessage << "HALFPLANE: m_adj " << madj
<< " lambda_min(H) " << lamHmin
<< " lambda_max(H) " << lamHmax
<< " sigma_max " << sigmax
<< " positive_real " << (posreal ? "YES" : "NO ")
<< (posreal
? (" EES_rate " + std::to_string(ratefac) + " EES_iters(1e-8) " + std::to_string(iters8))
: (" margin_below_zero " + std::to_string(-lamHmin) + " (EES guarantee lost)"))
<< std::endl;
}
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "Reading: lambda_min(H) > 0 => EES guarantees GCR at the quoted rate." << std::endl;
std::cout << GridLogMessage << " crossing to < 0 as m_adj -> 1 marks loss of positive-realness." << std::endl;
std::cout << GridLogMessage << " (non-normality: eigenvalues may still be right-half-plane.)" << std::endl;
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
+613
View File
@@ -0,0 +1,613 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_mrhs_3level.cc
Copyright (C) 2026
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.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
// MultiRHS (valence) THREE-level multigrid for PVdagM.
//
// This is exactly the plain three-level algorithm of Example_pvdagm_3level_SVDdefl.cc
// with L3_DEFL=0 (NO deflation), applied to the enlarged block-diagonal mRHS system:
// the coarse and coarse-coarse levels run a SINGLE Krylov (one GCR polynomial, inner
// products summed over rhs) on the packed 6D mrhs fields, so both coarse levels batch
// through GEMM (MultiGeneralCoarsenedMatrix) -- the valence throughput win at BOTH levels.
//
// Level structure (each coarse level is a single-field PGCR on a packed 6D mrhs field):
// L1 (fine) : std::vector<LatticeFermionD>, MrhsPGCRNonHermitian on PVdagM,
// preconditioned by the L1->L2 mrhs V-cycle (MrhsTwoLevelMG).
// L2 (coarse) : 6D mrhs coarse field, PGCR, preconditioned by the L2->L3 mrhs
// V-cycle (MrhsCoarseThreeLevelPrec) -- coarse-coarse correction + coarse smoother.
// L3 (coarse-coarse): 6D mrhs coarse-coarse field, PGCR (the innermost solve).
//
// RAW-NULL DISCIPLINE (critical -- see project_block_orthogonalise_leak): the L2->L3
// aggregation MUST be built from RAW fine near-null vectors (pre block-GS). We take a
// raw copy of the loaded subspace BEFORE the L1->L2 CoarsenOperator (which block-
// orthonormalises in place) and project THAT. Guards print ||<psi|psi> - I||: ~0.23 =
// content preserved, ~N_coarse = the e_k leak is back.
//
// Env: MASS SUBSPACE_FILE NRHS
// BLOCK (dotted, default 2.2.2.2) BLOCK2 (dotted, default 2.2.3.3)
// FineSmootherShift FineSmootherOrder
// CoarseSmootherShift CoarseSmootherNstep
// CoarseSolverTol CoarseSolverOrder
// L3_TOL L3_MAXIT L3_NSTEP
// OuterMmax OuterNstep OuterTol
#include <Grid/Grid.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
using namespace std;
using namespace Grid;
RealD FineSmootherShift = 0.1;
int FineSmootherOrder = 16;
RealD CoarseSmootherShift = 0.1;
int CoarseSmootherNstep = 4;
RealD CoarseSolverTol = 0.03;
int CoarseSolverOrder = 200;
RealD L3Tol = 2.5e-1;
int L3MaxIt = 50;
int L3Nstep = 50;
RealD OuterTol = 1.0e-8;
int OuterMmax = 8;
int OuterNstep = 8;
int Nrhs = 12;
RealD mass = 0.00078;
void ParseEnvironment(void)
{
if(getenv("MASS")) mass = atof(getenv("MASS"));
if(getenv("FineSmootherShift")) FineSmootherShift = atof(getenv("FineSmootherShift"));
if(getenv("FineSmootherOrder")) FineSmootherOrder = atoi(getenv("FineSmootherOrder"));
if(getenv("CoarseSmootherShift"))CoarseSmootherShift= atof(getenv("CoarseSmootherShift"));
if(getenv("CoarseSmootherNstep"))CoarseSmootherNstep= atoi(getenv("CoarseSmootherNstep"));
if(getenv("CoarseSolverTol")) CoarseSolverTol = atof(getenv("CoarseSolverTol"));
if(getenv("CoarseSolverOrder")) CoarseSolverOrder = atoi(getenv("CoarseSolverOrder"));
if(getenv("L3_TOL")) L3Tol = atof(getenv("L3_TOL"));
if(getenv("L3_MAXIT")) L3MaxIt = atoi(getenv("L3_MAXIT"));
if(getenv("L3_NSTEP")) L3Nstep = atoi(getenv("L3_NSTEP"));
if(getenv("OuterTol")) OuterTol = atof(getenv("OuterTol"));
if(getenv("OuterMmax")) OuterMmax = atoi(getenv("OuterMmax"));
if(getenv("OuterNstep")) OuterNstep = atoi(getenv("OuterNstep"));
if(getenv("NRHS")) Nrhs = atoi(getenv("NRHS"));
std::cout << GridLogMessage << "PARAM: MASS " << mass << std::endl;
std::cout << GridLogMessage << "PARAM: NRHS " << Nrhs << std::endl;
std::cout << GridLogMessage << "PARAM: FineSmootherShift " << FineSmootherShift << std::endl;
std::cout << GridLogMessage << "PARAM: FineSmootherOrder " << FineSmootherOrder << std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSmootherShift" << CoarseSmootherShift<< std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSmootherNstep" << CoarseSmootherNstep<< std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSolverTol " << CoarseSolverTol << std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSolverOrder " << CoarseSolverOrder << std::endl;
std::cout << GridLogMessage << "PARAM: L3_TOL " << L3Tol << std::endl;
std::cout << GridLogMessage << "PARAM: OuterMmax " << OuterMmax << std::endl;
std::cout << GridLogMessage << "PARAM: OuterNstep " << OuterNstep << std::endl;
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#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);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#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);
SR.close();
#endif
}
//////////////////////////////////////////////////////////////////////
// A = PV^dag M (non-Hermitian), and shifted variant for smoothers.
//////////////////////////////////////////////////////////////////////
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat; Matrix &_PV;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){ Field tmp(in.Grid()); _Mat.M(in,tmp); _PV.Mdag(tmp,out); }
void AdjOp (const Field &in, Field &out){ Field tmp(in.Grid()); _PV.M(in,tmp); _Mat.Mdag(tmp,out); }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ HermOp(in,out); ComplexD d=innerProduct(in,out); n1=real(d); n2=norm2(out); }
void HermOp(const Field &in, Field &out){ Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat; Matrix &_PV;
public:
RealD shift;
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){ Field tmp(in.Grid()); _Mat.M(in,tmp); _PV.Mdag(tmp,out); out = out + shift*in; }
void AdjOp (const Field &in, Field &out){ Field tmp(in.Grid()); _PV.M(tmp,out); _Mat.Mdag(in,tmp); out = out + shift*in; }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){ Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
// Generic shift wrapper (for the coarse-level smoother on the 6D mrhs coarse operator).
template<class Field>
class ShiftedLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op; RealD shift;
public:
ShiftedLinearOperator(RealD _shift, LinearOperatorBase<Field> &Op) : _Op(Op), shift(_shift) {}
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out) { assert(0); }
void Op (const Field &in, Field &out) { _Op.Op(in,out); out = out + shift*in; }
void AdjOp (const Field &in, Field &out) { _Op.AdjOp(in,out); out = out + shift*in; }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp (const Field &in, Field &out) { Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
//////////////////////////////////////////////////////////////////////
// mrhs interfaces + single-polynomial mrhs PGCR (verbatim from Example_pvdagm_mrhs.cc):
// reductions summed over rhs -> one alpha/beta per step for the enlarged system.
//////////////////////////////////////////////////////////////////////
template<class Field>
class MrhsLinearFunction {
public:
virtual void operator()(std::vector<Field> &in, std::vector<Field> &out) = 0;
};
template<class Field>
class MrhsPGCRNonHermitian {
public:
RealD Tolerance; Integer MaxIterations; int mmax,nstep,steps,level;
int ZeroGuess = 0; int FirstCycle = 0; // caller contract: zero guess => first-cycle r0 = src
std::string name = "Level 1";
LinearOperatorBase<Field> &Linop;
MrhsLinearFunction<Field> &Preconditioner;
void Level(int lv){ name = "Level " + std::to_string(lv); level=lv; }
void Name(std::string n){ name = n; }
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){ 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;
for(int rr=0;rr<nrhs;rr++){ RealD rn=std::sqrt(norm2(r[rr])/norm2(src[rr])); std::cout<<GridLogMessage<<"MrhsPGCR per-rhs true residual["<<rr<<"] = "<<rn<<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,b,rq; RealD zAAz; int nrhs=src.size(); GridBase *grid=src[0].Grid();
std::vector<Field> r(nrhs,grid),z(nrhs,grid),Az(nrhs,grid);
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);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR nStep("<<nstep<<")"<<std::endl;
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;
Preconditioner(r,z); vOp(z,Az); zAAz=vnorm2(Az);
p[0]=z; q[0]=Az; qq[0]=zAAz; cp=vnorm2(r);
for(int k=0;k<nstep;k++){
steps++; int kp=k+1, peri_k=k%mmax, peri_kp=kp%mmax;
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;
Preconditioner(r,z); vOp(z,Az); zAAz=vnorm2(Az);
q[peri_kp]=Az; p[peri_kp]=z;
int northog=((kp)>(mmax-1))?(mmax-1):(kp);
for(int back=0;back<northog;back++){ int peri_back=(k-back)%mmax; GRID_ASSERT((k-back)>=0);
b=-real(vinnerProduct(q[peri_back],Az))/qq[peri_back];
vaxpy(p[peri_kp],b,p[peri_back],p[peri_kp]); vaxpy(q[peri_kp],b,q[peri_back],q[peri_kp]); }
qq[peri_kp]=vnorm2(q[peri_kp]);
}
GRID_ASSERT(0); return cp;
}
};
//////////////////////////////////////////////////////////////////////
// L2->L3 mrhs V-cycle: a LinearFunction on the 6D mrhs COARSE field.
// Mirrors Example_pvdagm_mrhs.cc's MrhsTwoLevelMG one level down, and the
// single-RHS MGPreconditioner of Example_pvdagm_3level_SVDdefl.cc:
// out = in (trivial pre)
// r = in - A_coarse out
// restrict (unpack 6D coarse -> blockProject -> pack 6D coarse-coarse)
// ONE coarse-coarse solve (L3, GEMM)
// prolong (unpack -> blockPromote -> pack); out += correction
// r = in - A_coarse out
// coarse smoother (shifted 6D coarse op); out += smooth(r)
//////////////////////////////////////////////////////////////////////
template<class CoarseField, class CoarseCoarseField>
class MrhsCoarseThreeLevelPrec : public LinearFunction<CoarseField> {
public:
LinearOperatorBase<CoarseField> &_CoarseOp; // mrhs coarse op (6D)
LinearFunction<CoarseField> &_CoarseSmoother; // shifted 6D coarse smoother
MultiRHSBlockProject<CoarseField> &_Projector; // L2->L3 (vector-based)
LinearFunction<CoarseCoarseField> &_CoarseCoarseSolve; // L3 solve (6D cc)
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) {
int nrhs=_nrhs; double t;
CoarseField vec1(in.Grid());
CoarseField vec2(in.Grid());
// trivial pre-smoother
out = in;
// residual (6D coarse)
_CoarseOp.Op(out,vec1); sub(vec1,in,vec1);
// restrict: unpack 6D coarse -> vector<Coarse> -> blockProject -> vector<CoarseCoarse> -> pack 6D cc
std::vector<CoarseField> csplit(nrhs,_Coarse5d);
std::vector<CoarseCoarseField> ccsplit(nrhs,_CoarseCoarse5d);
CoarseCoarseField CCsrc(_CoarseCoarseMrhs);
CoarseCoarseField CCsol(_CoarseCoarseMrhs);
t=-usecond();
for(int r=0;r<nrhs;r++) ExtractSliceFast(csplit[r],vec1,r,0);
_Projector.blockProject(csplit,ccsplit);
for(int r=0;r<nrhs;r++) InsertSliceFast(ccsplit[r],CCsrc,r,0);
t+=usecond();
std::cout<<GridLogMessage<<"L2->L3 restrict took "<<t/1000.0<<"ms"<<std::endl;
// L3 solve (6D coarse-coarse, GEMM)
t=-usecond();
CCsol=Zero();
_CoarseCoarseSolve(CCsrc,CCsol);
t+=usecond();
std::cout<<GridLogMessage<<"L3 coarse-coarse solve took "<<t/1000.0<<"ms ("<<t/1000.0/nrhs<<"ms/rhs)"<<std::endl;
// prolong: unpack 6D cc -> blockPromote -> pack 6D coarse; add correction
t=-usecond();
for(int r=0;r<nrhs;r++) ExtractSliceFast(ccsplit[r],CCsol,r,0);
_Projector.blockPromote(csplit,ccsplit);
for(int r=0;r<nrhs;r++) InsertSliceFast(csplit[r],vec1,r,0);
add(out,out,vec1);
t+=usecond();
std::cout<<GridLogMessage<<"L2->L3 prolong took "<<t/1000.0<<"ms"<<std::endl;
// residual + coarse smoother (6D coarse)
_CoarseOp.Op(out,vec1); sub(vec1,in,vec1);
vec2=Zero();
_CoarseSmoother(vec1,vec2);
add(out,out,vec2);
}
};
//////////////////////////////////////////////////////////////////////
// L1->L2 mrhs V-cycle (verbatim from Example_pvdagm_mrhs.cc):
// per-rhs fine smoother + batched restriction + ONE coarse solve + batched prolong.
// The coarse solve passed in is now itself three-level (preconditioned by L2->L3).
//////////////////////////////////////////////////////////////////////
template<class FineField, class MrhsCoarseVector, class FineSmoother>
class MrhsTwoLevelMG : public MrhsLinearFunction<FineField> {
public:
typedef MrhsCoarseVector CoarseVector;
LinearOperatorBase<FineField> &_FineOperator;
FineSmoother &_PostSmoother;
MultiRHSBlockProject<FineField> &_Projector;
LinearFunction<CoarseVector> &_CoarseSolve;
GridBase *_CoarseGrid, *_CoarseGridMrhs;
MrhsTwoLevelMG(LinearOperatorBase<FineField> &FineOp, FineSmoother &Post,
MultiRHSBlockProject<FineField> &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){
int nrhs=in.size(); GridBase *fgrid=in[0].Grid(); double t;
std::vector<FineField> vec1(nrhs,fgrid),vec2(nrhs,fgrid);
for(int r=0;r<nrhs;r++) out[r]=in[r];
for(int r=0;r<nrhs;r++){ _FineOperator.Op(out[r],vec1[r]); sub(vec1[r],in[r],vec1[r]); }
std::vector<CoarseVector> Csrc_split(nrhs,_CoarseGrid), Csol_split(nrhs,_CoarseGrid);
CoarseVector CsrcMrhs(_CoarseGridMrhs), CsolMrhs(_CoarseGridMrhs);
t=-usecond();
_Projector.blockProject(vec1,Csrc_split);
for(int r=0;r<nrhs;r++) InsertSliceFast(Csrc_split[r],CsrcMrhs,r,0);
t+=usecond(); std::cout<<GridLogMessage<<"Mrhs project+pack took "<<t/1000.0<<"ms"<<std::endl;
t=-usecond(); CsolMrhs=Zero(); _CoarseSolve(CsrcMrhs,CsolMrhs); t+=usecond();
std::cout<<GridLogMessage<<"Mrhs coarse solve took "<<t/1000.0<<"ms ("<<t/1000.0/nrhs<<"ms/rhs)"<<std::endl;
t=-usecond();
for(int r=0;r<nrhs;r++) ExtractSliceFast(Csol_split[r],CsolMrhs,r,0);
_Projector.blockPromote(vec1,Csol_split);
for(int r=0;r<nrhs;r++) add(out[r],out[r],vec1[r]);
t+=usecond(); std::cout<<GridLogMessage<<"Mrhs unpack+promote took "<<t/1000.0<<"ms"<<std::endl;
for(int r=0;r<nrhs;r++){ _FineOperator.Op(out[r],vec1[r]); sub(vec1[r],in[r],vec1[r]); }
t=-usecond();
for(int r=0;r<nrhs;r++){ vec2[r]=Zero(); _PostSmoother(vec1[r],vec2[r]); add(out[r],out[r],vec2[r]); }
t+=usecond(); std::cout<<GridLogMessage<<"Mrhs post-smooth took "<<t/1000.0<<"ms ("<<t/1000.0/nrhs<<"ms/rhs)"<<std::endl;
}
};
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
ParseEnvironment();
const int Ls=24; RealD M5=1.8, b=1.5, c=0.5;
const int nbasis=60; const int nrhs=Nrhs;
GRID_ASSERT(nrhs % vComplex::Nsimd() == 0);
std::vector<int> lat_size {48,48,48,96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Level 1 blocking (default 2^4)
Coordinate clatt = lat_size;
Coordinate Block({2,2,2,2});
if ( getenv("BLOCK") ){ GridCmdOptionIntVector(std::string(getenv("BLOCK")),Block); GRID_ASSERT(Block.size()==4); }
for(int d=0;d<4;d++){ GRID_ASSERT(lat_size[d]%Block[d]==0); clatt[d]=lat_size[d]/Block[d]; }
std::cout << GridLogMessage << "Block " << Block << " coarse lattice " << clatt << std::endl;
// Level 2 blocking (default 2,2,3,3) -- matches Example_pvdagm_3level_SVDdefl
Coordinate cclatt = clatt;
Coordinate Block2({2,2,3,3});
if ( getenv("BLOCK2") ){ GridCmdOptionIntVector(std::string(getenv("BLOCK2")),Block2); GRID_ASSERT(Block2.size()==4); }
for(int d=0;d<4;d++){ GRID_ASSERT(clatt[d]%Block2[d]==0); cclatt[d]=clatt[d]/Block2[d]; }
std::cout << GridLogMessage << "Block2 " << Block2 << " coarse-coarse lattice " << cclatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
GridCartesian *CoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(cclatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarse4d);
// 6D mrhs grids: rhs is dim 0, SIMD across rhs (pattern: Test_general_coarse_hdcg_phys48.cc)
Coordinate mpi=GridDefaultMpi();
Coordinate rhMpi ({1,1,mpi[0],mpi[1],mpi[2],mpi[3]});
Coordinate rhSimd({vComplex::Nsimd(),1,1,1,1,1});
Coordinate rhLatt ({nrhs,1,clatt[0], clatt[1], clatt[2], clatt[3]});
Coordinate rhLatt2({nrhs,1,cclatt[0],cclatt[1],cclatt[2],cclatt[3]});
GridCartesian *CoarseMrhs = new GridCartesian(rhLatt, rhSimd,rhMpi);
GridCartesian *CoarseCoarseMrhs = new GridCartesian(rhLatt2,rhSimd,rhMpi);
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers({5,6,7,8});
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b,c);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,1.0, M5,b,c);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
// Level 1 tensor types
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef MultiGeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> MrhsLittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
// Level 2 tensor types (coarsening deepens the nest by one iScalar -- see CLAUDE.md)
typedef CoarseVector::vector_object CoarseSiteObj;
typedef iScalar<vTComplex> vTTComplex;
typedef GeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,nbasis> LittleDiracOperatorL2;
typedef MultiGeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,nbasis> MrhsLittleDiracOperatorL2;
typedef LittleDiracOperatorL2::CoarseVector CoarseCoarseVector;
typedef Aggregation<CoarseSiteObj,vTTComplex,nbasis> SubspaceL2;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(FineSmootherShift,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom (Coarse5d);
NextToNearestStencilGeometry5D geom2(CoarseCoarse5d); // 33-point at L2->L3, matching SVDdefl
//////////////////////////////////////////////////////////////////////
// Subspace: load RAW (no Orthogonalise!), or generate.
//////////////////////////////////////////////////////////////////////
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
uint64_t file_exists=0;
if ( UGrid->IsBoss() ){ std::ifstream f(subspace_file); file_exists=f.good()?1:0; }
UGrid->GlobalSum(file_exists);
const int cb=0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ){
std::cout << GridLogMessage << "*** Loading subspace from disk (kept RAW) ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
saveSubspace(AggregatesGCR.subspace, subspace_file);
}
// RAW copy of the fine null vectors BEFORE CoarsenOperator block-orthonormalises in place.
std::vector<LatticeFermionD> rawNull(nbasis,FGrid);
for(int k=0;k<nbasis;k++) rawNull[k]=AggregatesGCR.subspace[k];
//////////////////////////////////////////////////////////////////////
// Coarsen L1->L2 and L2->L3 with SINGLE-RHS machinery, import into the mrhs
// operators via CopyMatrix. The single-RHS L1->L2 coarse operator must stay
// alive to be the "fine" operator for the L2->L3 coarsening, so BOTH single-RHS
// ops (and their padded _A) live in one scope and free together. [MEMORY: this
// is the setup peak -- L1->L2 padded _A (~large at 2^4) + L2->L3 padded _A.]
//////////////////////////////////////////////////////////////////////
MrhsLittleDiracOperator mrhsLittleDiracOpPV(geom, CoarseMrhs);
MrhsLittleDiracOperatorL2 mrhsLittleDiracOpL2(geom2, CoarseCoarseMrhs);
MultiRHSBlockProject<LatticeFermionD> MrhsProjector;
MultiRHSBlockProject<CoarseVector> MrhsProjectorL2;
{
// --- L1->L2 single-RHS coarse operator (kept alive for the L2->L3 coarsening) ---
LittleDiracOperator LittleDiracOpPV(geom,FGrid,Coarse5d);
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesGCR); // orthonormalises AggregatesGCR.subspace in place
mrhsLittleDiracOpPV.CopyMatrix(LittleDiracOpPV);
MrhsProjector.Allocate(nbasis,FGrid,Coarse5d);
MrhsProjector.ImportBasis(AggregatesGCR.subspace); // orthonormalised, matches the coarse op
NonHermitianLinearOperator<LittleDiracOperator,CoarseVector> LinOpCoarse(LittleDiracOpPV);
// --- psi_coarse = P^dag (RAW fine null) -> Galerkin images, NOT e_k ---
std::vector<CoarseVector> psi_coarse(nbasis,Coarse5d);
for(int k=0;k<nbasis;k++) AggregatesGCR.ProjectToSubspace(psi_coarse[k], rawNull[k]);
rawNull.clear(); rawNull.shrink_to_fit();
{
RealD s2=0.0;
for(int i=0;i<nbasis;i++) for(int j=0;j<nbasis;j++){
ComplexD sij=TensorRemove(innerProduct(psi_coarse[i],psi_coarse[j]));
ComplexD d=sij-(i==j?ComplexD(1.0):ComplexD(0.0)); s2+=real(d)*real(d)+imag(d)*imag(d);
}
std::cout<<GridLogMessage<<"GUARD: ||<psi_coarse|psi_coarse> - I||_F = "<<std::sqrt(s2)
<<" (~0.23 good; ~sqrt(N_coarse)="<<std::sqrt((double)Coarse5d->gSites())<<" = e_k leak)"<<std::endl;
}
// --- L2->L3 single-RHS coarsening (coarsen the single-RHS LinOpCoarse) ---
SubspaceL2 AggregatesL2(CoarseCoarse5d,Coarse5d,cb);
for(int k=0;k<nbasis;k++) AggregatesL2.subspace[k]=psi_coarse[k];
LittleDiracOperatorL2 LittleDiracOpL2(geom2,Coarse5d,CoarseCoarse5d);
LittleDiracOpL2.CoarsenOperator(LinOpCoarse, AggregatesL2);
mrhsLittleDiracOpL2.CopyMatrix(LittleDiracOpL2);
MrhsProjectorL2.Allocate(nbasis,Coarse5d,CoarseCoarse5d);
MrhsProjectorL2.ImportBasis(AggregatesL2.subspace); // orthonormalised by CoarsenOperator
// --- guard psi_cc (RAW psi_coarse; AggregatesL2 holds a separate orthonormalised copy) ---
{
std::vector<CoarseCoarseVector> psi_cc(nbasis,CoarseCoarse5d);
for(int k=0;k<nbasis;k++) AggregatesL2.ProjectToSubspace(psi_cc[k], psi_coarse[k]);
RealD s2=0.0;
for(int i=0;i<nbasis;i++) for(int j=0;j<nbasis;j++){
ComplexD sij=TensorRemove(innerProduct(psi_cc[i],psi_cc[j]));
ComplexD d=sij-(i==j?ComplexD(1.0):ComplexD(0.0)); s2+=real(d)*real(d)+imag(d)*imag(d);
}
std::cout<<GridLogMessage<<"GUARD: ||<psi_cc|psi_cc> - I||_F = "<<std::sqrt(s2)
<<" (~0.23 good; ~sqrt(N_cc)="<<std::sqrt((double)CoarseCoarse5d->gSites())<<" = e_k leak)"<<std::endl;
}
} // both single-RHS ops + padded _A + AggregatesL2 + psi_coarse freed here
NonHermitianLinearOperator<MrhsLittleDiracOperator,CoarseVector> mrhsLinOpCoarse(mrhsLittleDiracOpPV);
NonHermitianLinearOperator<MrhsLittleDiracOperatorL2,CoarseCoarseVector> mrhsLinOpCC(mrhsLittleDiracOpL2);
//////////////////////////////////////////////////////////////////////
// Solvers, innermost first.
//////////////////////////////////////////////////////////////////////
TrivialPrecon<CoarseVector> simpleC;
TrivialPrecon<CoarseCoarseVector> simpleCC;
TrivialPrecon<LatticeFermionD> simple_fine;
// L3 (coarse-coarse) solve: PGCR on the 6D cc operator
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
L3PGCR(L3Tol,L3MaxIt,mrhsLinOpCC,simpleCC,L3Nstep,L3Nstep);
L3PGCR.Level(3);
L3PGCR.Name("CCouter");
L3PGCR.SetZeroGuess(1); // caller zeroes CCsol
// L2 coarse smoother: shifted 6D coarse op, fixed nstep
ShiftedLinearOperator<CoarseVector> ShiftedMrhsCoarse(CoarseSmootherShift, mrhsLinOpCoarse);
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector>
CoarseSmootherGCR(0.01,1,ShiftedMrhsCoarse,simpleC,CoarseSmootherNstep,CoarseSmootherNstep);
CoarseSmootherGCR.Level(2);
CoarseSmootherGCR.Name("Csmoother");
CoarseSmootherGCR.SetZeroGuess(1); // caller zeroes vec2
// L2->L3 V-cycle preconditioner (operates on 6D coarse field)
MrhsCoarseThreeLevelPrec<CoarseVector,CoarseCoarseVector>
L2to3Precon(mrhsLinOpCoarse, CoarseSmootherGCR, MrhsProjectorL2, L3PGCR,
Coarse5d, CoarseCoarse5d, CoarseCoarseMrhs, nrhs);
// L2 coarse solve: PGCR on 6D coarse op, preconditioned by the L2->L3 V-cycle
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector>
L2PGCR(CoarseSolverTol, CoarseSolverOrder/16, mrhsLinOpCoarse, L2to3Precon, 16, 16);
L2PGCR.Level(2);
L2PGCR.Name("Couter");
L2PGCR.SetZeroGuess(1); // caller zeroes CsolMrhs
// Fine smoother (per-rhs, looped in the L1->L2 V-cycle)
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD>
SmootherGCR(0.0,1,ShiftedPVdagM,simple_fine,FineSmootherOrder,FineSmootherOrder);
SmootherGCR.Level(1);
SmootherGCR.Name("Fsmoother");
SmootherGCR.SetZeroGuess(1); // caller zeroes vec2[r]
// L1->L2 V-cycle (fine); its coarse solve is the three-level L2PGCR
typedef PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD> FineSmoother_t;
MrhsTwoLevelMG<LatticeFermionD,CoarseVector,FineSmoother_t>
ThreeLevelPrecon(PVdagM, SmootherGCR, MrhsProjector, L2PGCR, Coarse5d, CoarseMrhs);
// Outer mrhs solve
MrhsPGCRNonHermitian<LatticeFermionD>
L1PGCR(OuterTol,1000,PVdagM,ThreeLevelPrecon,OuterMmax,OuterNstep);
L1PGCR.Level(1);
L1PGCR.Name("Fouter");
L1PGCR.SetZeroGuess(1); // sol[r]=Zero() at source setup
//////////////////////////////////////////////////////////////////////
// Sources and solve
//////////////////////////////////////////////////////////////////////
std::vector<LatticeFermionD> src(nrhs,FGrid), sol(nrhs,FGrid);
for(int r=0;r<nrhs;r++){ gaussian(RNG5,src[r]); sol[r]=Zero(); }
std::cout << GridLogMessage << "**********************************************" << std::endl;
std::cout << GridLogMessage << " MultiRHS THREE-level solve: " << nrhs << " RHS " << std::endl;
std::cout << GridLogMessage << "**********************************************" << std::endl;
GridStopWatch w; w.Start();
L1PGCR(src,sol);
w.Stop();
std::cout << GridLogMessage << "MultiRHS 3-level solve total " << w.Elapsed()
<< " (per RHS: " << w.useconds()/1.0e6/nrhs << " s)" << std::endl;
{ LatticeFermionD Ax(FGrid); 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: rhs["<<r<<"] true residual = " << rn << std::endl;
worst=std::max(worst,rn); }
std::cout << GridLogMessage << "FINAL: worst-case residual = " << worst << std::endl;
}
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
File diff suppressed because it is too large. Load diff
-1
View File
@@ -8,7 +8,6 @@ LIME=/p/home/jusers/boyle2/juwels/gm2dwf/boyle/
--disable-gparity \
--disable-fermion-reps \
--with-lime=$LIME \
--enable-accelerator-cshift \
--disable-unified \
CXX=nvcc \
LDFLAGS="-cudart shared " \
+104
View File
@@ -0,0 +1,104 @@
#!/bin/bash -l
# Node count scan. Everything that could confound the comparison is held
# fixed and only the number of Lustre clients changes:
#
# local volume 8.8.32.128 = 262144 sites x 576 B = 151 MB / rank
# aggregation k=2, row of 16, 8 extents of 18 MB (identical at
# every node count)
# old path contiguous run = lLattice[0]*576 = 4.6 KB (identical too)
#
# So the ratio of contiguous extent between the two layout preserving paths is
# a constant 4000x across the whole scan, and any change in their relative
# bandwidth is a property of the client count alone. That is the variable the
# 4 node runs could not move.
#
# Trim the tail of the run list if you want a smaller allocation; the
# geometries are independent.
#SBATCH --job-name=ioScale
#SBATCH --nodes=128
#SBATCH --ntasks-per-node=8
#SBATCH --cpus-per-task=7
#SBATCH --gpus-per-node=8
#SBATCH --time=02:00:00
#SBATCH --account=phy157_dwf
#SBATCH --gpu-bind=none
#SBATCH --exclusive
#SBATCH --mem=0
cat << EOF > select_gpu
#!/bin/bash
export GPU_MAP=(0 1 2 3 7 6 5 4)
export NUMA_MAP=(3 3 1 1 2 2 0 0)
export GPU=\${GPU_MAP[\$SLURM_LOCALID]}
export NUMA=\${NUMA_MAP[\$SLURM_LOCALID]}
unset ROCR_VISIBLE_DEVICES
export HIP_VISIBLE_DEVICES=\$GPU
rank=\$SLURM_PROCID
CMD="numactl -m \$NUMA -N \$NUMA \$*"
exec \$CMD
EOF
chmod +x ./select_gpu
SELECT=$SLURM_SUBMIT_DIR/select_gpu
root=$HOME/ParallelIO/systems/Frontier/
source ${root}/sourceme-rocm7.2.sh
export OMP_NUM_THREADS=7
export MPICH_GPU_SUPPORT_ENABLED=1
WORK=/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/aggscale.$SLURM_JOB_ID
mkdir -p $WORK
cd $WORK
# The largest rung writes three files of 154 GB, so budget ~700 GB for the
# whole scan and check the quota before submitting.
#
# Do NOT stripe by default. Measured on Frontier at 128 nodes / 1024 ranks,
# 154.6 GB record, best of 3 (MB/s):
#
# default layout lfs setstripe -c -1 -S 8M
# raw 97673 81728
# MPI-IO lexicographic 31675 77534
# aggregate 189535 86063
#
# The two layout preserving paths want opposite things. Wide striping is what
# rescues MPI-IO at scale, 32 -> 78 GB/s, which is presumably what careful
# striping has been buying in production. It costs the aggregate path a factor
# of 2.2, and costs raw as well. With the default layout MPI-IO plateaus at
# ~30 GB/s from 64 nodes upward -- the 20-40 GB/s seen in production -- while
# the aggregate path keeps scaling. Uncomment only to reproduce that.
#lfs setstripe -c -1 -S 8M $WORK
lfs getstripe -d $WORK # record the inherited layout; needed to read the numbers
BIN=$SLURM_SUBMIT_DIR/tests/IO/Test_aggregate_io
ARGS="--aggregate-target 4194304 --io-no-correctness --io-reps 3"
run () { # run <nodes> <grid> <mpi> <comment>
local nodes=$1 nranks=$(( $1 * 8 ))
echo
echo "==================================================================="
echo "=== SCAN nodes=$nodes ranks=$nranks grid=$2 mpi=$3 $4"
echo "==================================================================="
srun -N$nodes -n$nranks --ntasks-per-node=8 $SELECT $BIN --grid $2 --mpi $3 \
--accelerator-threads 8 --shm 2048 --device-mem 32000 $ARGS
echo "=== exit $?"
}
# nodes global lattice decomposition record
run 4 32.32.64.128 4.4.2.1 "4.8 GB"
run 8 32.32.64.256 4.4.2.2 "9.7 GB"
run 16 32.32.64.512 4.4.2.4 "19.3 GB"
run 32 32.32.128.512 4.4.4.4 "38.6 GB"
run 64 32.32.128.1024 4.4.4.8 "77.3 GB"
run 128 32.32.256.1024 4.4.8.8 "154.6 GB"
echo
echo "=== done. Files left in $WORK"
echo "=== For cold read numbers, submit a SECOND job on a fresh allocation"
echo "=== with WORK pointed at this directory and --io-read-only added to"
echo "=== ARGS. Reading back what this job wrote only measures page cache."
ls -l $WORK
+63 -78
View File
@@ -1,91 +1,76 @@
Per node summary table
L , Wilson, DWF4, Staggered, NaiveStag
8 , 90, 933, 38, 23
12 , 403, 1688, 178, 113
16 , 188, 1647, 449, 295
24 , 947, 1574, 674, 553
32 , 931, 1371, 718, 643
Memory Bandwidth
Bytes, GB/s per node
786432, 40.271620
12582912, 433.611792
63700992, 905.374321
201326592, 1114.979152
491520000, 1180.241898
6291456, 379.297050
100663296, 3754.674992
509607936, 6521.472413
1610612736, 8513.456479
3932160000, 9018.901766
GEMM
M, N, K, BATCH, GF/s per rank
16, 8, 16, 256, 0.564958
16, 16, 16, 256, 243.148058
16, 32, 16, 256, 440.346877
32, 8, 32, 256, 439.194136
32, 16, 32, 256, 847.334141
32, 32, 32, 256, 1430.892623
64, 8, 64, 256, 1242.756741
64, 16, 64, 256, 2196.689493
64, 32, 64, 256, 3697.458072
16, 8, 256, 256, 899.582627
16, 16, 256, 256, 1673.537756
16, 32, 256, 256, 2959.597089
32, 8, 256, 256, 1558.858630
32, 16, 256, 256, 2864.839445
32, 32, 256, 256, 4810.671254
64, 8, 256, 256, 2386.092942
64, 16, 256, 256, 4451.665937
64, 32, 256, 256, 5942.124095
8, 256, 16, 256, 799.867271
16, 256, 16, 256, 1584.624888
32, 256, 16, 256, 1949.422338
8, 256, 32, 256, 1389.417474
16, 256, 32, 256, 2668.344493
32, 256, 32, 256, 3234.162120
8, 256, 64, 256, 2150.925128
16, 256, 64, 256, 4012.488132
32, 256, 64, 256, 5154.785521
Communications
Packet bytes, direction, GB/s per node
4718592, 1, 245.026198
4718592, 2, 251.180996
4718592, 3, 361.110977
4718592, 5, 247.898447
4718592, 6, 249.867523
4718592, 7, 359.033061
15925248, 1, 255.030946
15925248, 2, 264.453890
15925248, 3, 392.949183
15925248, 5, 256.040644
15925248, 6, 264.681896
15925248, 7, 392.102622
37748736, 1, 258.823333
37748736, 2, 268.181577
37748736, 3, 401.478191
37748736, 5, 258.995363
37748736, 6, 268.206586
37748736, 7, 400.397611
GEMM
M, N, K, BATCH, GF/s per rank fp64
16, 8, 16, 4096, 693.316363
16, 12, 16, 4096, 657.277058
16, 16, 16, 4096, 711.992616
32, 8, 32, 4096, 821.084324
32, 12, 32, 4096, 1279.852719
32, 16, 32, 4096, 2647.096674
64, 8, 64, 4096, 2630.192325
64, 12, 64, 4096, 3338.071321
64, 16, 64, 4096, 3950.899281
16, 8, 256, 4096, 1638.362501
16, 12, 256, 4096, 2377.502234
16, 16, 256, 4096, 3048.328833
32, 8, 256, 4096, 2917.384276
32, 12, 256, 4096, 4103.085151
32, 16, 256, 4096, 5102.971860
64, 8, 256, 4096, 3222.258206
64, 12, 256, 4096, 4619.456391
64, 16, 256, 4096, 5847.916650
8, 256, 16, 4096, 1728.073337
12, 256, 16, 4096, 2356.653970
16, 256, 16, 4096, 2676.876038
8, 256, 32, 4096, 2611.531990
12, 256, 32, 4096, 3451.573106
16, 256, 32, 4096, 3966.915301
8, 256, 64, 4096, 3436.248737
12, 256, 64, 4096, 4539.497945
16, 256, 64, 4096, 5307.992323
GEMM
M, N, K, BATCH, GF/s per rank fp32
16, 8, 16, 4096, 499.017445
16, 12, 16, 4096, 731.543385
16, 16, 16, 4096, 958.800786
32, 8, 32, 4096, 1549.813550
32, 12, 32, 4096, 2147.907502
32, 16, 32, 4096, 2601.698596
64, 8, 64, 4096, 3785.446233
64, 12, 64, 4096, 5116.694843
64, 16, 64, 4096, 6109.345016
16, 8, 256, 4096, 1206.627737
16, 12, 256, 4096, 1809.699599
16, 16, 256, 4096, 2412.014053
32, 8, 256, 4096, 2406.114488
32, 12, 256, 4096, 3605.531907
32, 16, 256, 4096, 4798.444037
64, 8, 256, 4096, 4688.711196
64, 12, 256, 4096, 6990.696301
64, 16, 256, 4096, 9214.749925
8, 256, 16, 4096, 2596.307289
12, 256, 16, 4096, 3439.892562
16, 256, 16, 4096, 3907.201036
8, 256, 32, 4096, 3012.752067
12, 256, 32, 4096, 3904.217583
16, 256, 32, 4096, 4599.047092
8, 256, 64, 4096, 3721.999042
12, 256, 64, 4096, 5098.573927
16, 256, 64, 4096, 6159.080872
Per node summary table
L , Wilson, DWF4, Staggered, GF/s per node
8 , 155, 1386, 50
12 , 694, 4208, 230
16 , 1841, 6675, 609
24 , 3934, 8573, 1641
32 , 5083, 9771, 3086
1 Per node summary table Memory Bandwidth
Per node summary table
L , Wilson, DWF4, Staggered, NaiveStag
8 , 90, 933, 38, 23
12 , 403, 1688, 178, 113
16 , 188, 1647, 449, 295
24 , 947, 1574, 674, 553
32 , 931, 1371, 718, 643
Memory Bandwidth
Bytes, GB/s per node
786432, 40.271620
1 12582912, 433.611792 Memory Bandwidth
2 63700992, 905.374321 Bytes, GB/s per node
3 201326592, 1114.979152 6291456, 379.297050
4 491520000, 1180.241898 100663296, 3754.674992
5 Communications 509607936, 6521.472413
6 Packet bytes, direction, GB/s per node 1610612736, 8513.456479
7 GEMM 3932160000, 9018.901766
8 M, N, K, BATCH, GF/s per rank fp64 GEMM
9 M, N, K, BATCH, GF/s per rank
10 16, 8, 16, 256, 0.564958
11 16, 16, 16, 256, 243.148058
12 16, 32, 16, 256, 440.346877
13 32, 8, 32, 256, 439.194136
14 32, 16, 32, 256, 847.334141
15 32, 32, 32, 256, 1430.892623
16 64, 8, 64, 256, 1242.756741
17 64, 16, 64, 256, 2196.689493
18 64, 32, 64, 256, 3697.458072
19 16, 8, 256, 256, 899.582627
20 16, 16, 256, 256, 1673.537756
21 16, 32, 256, 256, 2959.597089
22 32, 8, 256, 256, 1558.858630
23 32, 16, 256, 256, 2864.839445
24 32, 32, 256, 256, 4810.671254
25 64, 8, 256, 256, 2386.092942
26 64, 16, 256, 256, 4451.665937
27 64, 32, 256, 256, 5942.124095
28 8, 256, 16, 256, 799.867271
29 16, 256, 16, 256, 1584.624888
30 32, 256, 16, 256, 1949.422338
31 8, 256, 32, 256, 1389.417474
32 16, 256, 32, 256, 2668.344493
33 32, 256, 32, 256, 3234.162120
34 8, 256, 64, 256, 2150.925128
35 16, 256, 64, 256, 4012.488132
36 32, 256, 64, 256, 5154.785521
37 Communications
38 Packet bytes, direction, GB/s per node
39 4718592, 1, 245.026198
40 4718592, 2, 251.180996
41 4718592, 3, 361.110977
42 16, 8, 16, 4096, 693.316363 4718592, 5, 247.898447
43 16, 12, 16, 4096, 657.277058 4718592, 6, 249.867523
44 16, 16, 16, 4096, 711.992616 4718592, 7, 359.033061
45 32, 8, 32, 4096, 821.084324 15925248, 1, 255.030946
46 32, 12, 32, 4096, 1279.852719 15925248, 2, 264.453890
47 15925248, 3, 392.949183
48 15925248, 5, 256.040644
49 15925248, 6, 264.681896
50 15925248, 7, 392.102622
51 37748736, 1, 258.823333
52 37748736, 2, 268.181577
53 37748736, 3, 401.478191
54 37748736, 5, 258.995363
55 37748736, 6, 268.206586
56 37748736, 7, 400.397611
57 Per node summary table
58 L , Wilson, DWF4, Staggered, GF/s per node
59 8 , 155, 1386, 50
60 12 , 694, 4208, 230
61 16 , 1841, 6675, 609
62 24 , 3934, 8573, 1641
63 32 , 5083, 9771, 3086
64
65 32, 16, 32, 4096, 2647.096674
66 64, 8, 64, 4096, 2630.192325
67 64, 12, 64, 4096, 3338.071321
64, 16, 64, 4096, 3950.899281
16, 8, 256, 4096, 1638.362501
16, 12, 256, 4096, 2377.502234
16, 16, 256, 4096, 3048.328833
32, 8, 256, 4096, 2917.384276
32, 12, 256, 4096, 4103.085151
32, 16, 256, 4096, 5102.971860
64, 8, 256, 4096, 3222.258206
64, 12, 256, 4096, 4619.456391
64, 16, 256, 4096, 5847.916650
8, 256, 16, 4096, 1728.073337
12, 256, 16, 4096, 2356.653970
16, 256, 16, 4096, 2676.876038
8, 256, 32, 4096, 2611.531990
12, 256, 32, 4096, 3451.573106
16, 256, 32, 4096, 3966.915301
8, 256, 64, 4096, 3436.248737
12, 256, 64, 4096, 4539.497945
16, 256, 64, 4096, 5307.992323
GEMM
M, N, K, BATCH, GF/s per rank fp32
16, 8, 16, 4096, 499.017445
16, 12, 16, 4096, 731.543385
16, 16, 16, 4096, 958.800786
32, 8, 32, 4096, 1549.813550
32, 12, 32, 4096, 2147.907502
32, 16, 32, 4096, 2601.698596
64, 8, 64, 4096, 3785.446233
64, 12, 64, 4096, 5116.694843
64, 16, 64, 4096, 6109.345016
16, 8, 256, 4096, 1206.627737
16, 12, 256, 4096, 1809.699599
16, 16, 256, 4096, 2412.014053
32, 8, 256, 4096, 2406.114488
32, 12, 256, 4096, 3605.531907
32, 16, 256, 4096, 4798.444037
64, 8, 256, 4096, 4688.711196
64, 12, 256, 4096, 6990.696301
64, 16, 256, 4096, 9214.749925
8, 256, 16, 4096, 2596.307289
12, 256, 16, 4096, 3439.892562
16, 256, 16, 4096, 3907.201036
8, 256, 32, 4096, 3012.752067
12, 256, 32, 4096, 3904.217583
16, 256, 32, 4096, 4599.047092
8, 256, 64, 4096, 3721.999042
12, 256, 64, 4096, 5098.573927
16, 256, 64, 4096, 6159.080872
68
69
70
71
72
73
74
75
76
+4 -2
View File
@@ -1,3 +1,5 @@
CLIME=`spack find --paths c-lime@2-3-9 | grep c-lime| cut -c 15-`
../../configure --enable-comms=mpi-auto \
--with-lime=$CLIME \
--enable-unified=no \
@@ -8,13 +10,13 @@
--disable-gparity \
--disable-fermion-reps \
--enable-simd=GPU \
--with-openssl=$OPENSSL \
--with-gmp=$GMP \
--with-mpfr=$MPFR \
--with-openssl=$OPENSSL \
--disable-fermion-reps \
CXX=hipcc MPICXX=mpicxx \
CXXFLAGS="-fPIC -I${ROCM_PATH}/include/ -I${MPICH_DIR}/include " \
LDFLAGS="-L${ROCM_PATH}/lib -L${MPICH_DIR}/lib -lmpi -lmpi_gtl_hsa -lhipblas -lrocblas -lhipfft -lamdhip64"
LDFLAGS="-L${ROCM_PATH}/lib -L${MPICH_DIR}/lib -lmpi -lmpi_gtl_hsa -lhipblas -lrocsolver -lrocblas -lhipfft -lamdhip64"
@@ -7,8 +7,9 @@ export MPFR=`spack find --paths mpfr | grep ^mpfr | awk '{print $2}' `
export OPENSSL=`spack find --paths openssl | grep openssl | awk '{print $2}' `
export GMP=`spack find --paths gmp | grep ^gmp | awk '{print $2}' `
module load cce/21.0.0
module load cpe/26.03
module load rocm/7.0.2
module load cce/20.0.0
module load cpe/25.09
module load rocm/6.4.0
export LD_LIBRARY_PATH=$CRAY_LD_LIBRARY_PATH:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=/opt/rocm-7.0.2/lib/llvm/lib/:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=/opt/rocm-6.4.0/lib/llvm/lib/:$LD_LIBRARY_PATH
module load emacs
+13
View File
@@ -0,0 +1,13 @@
echo spack
. /autofs/nccs-svm1_home1/paboyle/spack/share/spack/setup-env.sh
module load cce/21.0.0
module load cpe/26.03
module load rocm/7.0.2
export LD_LIBRARY_PATH=/opt/rocm-7.0.2/lib/llvm/lib/:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$CRAY_LD_LIBRARY_PATH
module load emacs
+15
View File
@@ -0,0 +1,15 @@
echo spack
. /autofs/nccs-svm1_home1/paboyle/spack/share/spack/setup-env.sh
export CLIME=`spack find --paths c-lime | grep ^c-lime | awk '{print $2}' `
export MPFR=`spack find --paths mpfr | grep ^mpfr | awk '{print $2}' `
export OPENSSL=`spack find --paths openssl | grep openssl | awk '{print $2}' `
export GMP=`spack find --paths gmp | grep ^gmp | awk '{print $2}' `
module load cce/21.0.0
module load cpe/26.03
module load rocm/7.2.0
export LD_LIBRARY_PATH=/opt/rocm-7.2.0/lib/llvm/lib/:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$CRAY_LD_LIBRARY_PATH
module load emacs
-20
View File
@@ -1,20 +0,0 @@
#!/usr/bin/env bash
# Configure Grid from a build directory two levels below the source root,
# e.g.: mkdir -p systems/mac-arm/build && cd systems/mac-arm/build && bash ../config-command-homebrew
#
# Prerequisites: source sourceme-homebrew.sh first.
CXX=mpicxx ../../configure \
--enable-simd=GEN \
--enable-comms=mpi-auto \
--enable-unified=yes \
--prefix="${HOME}/Grid-install" \
--with-lime="${CLIME}" \
--with-openssl="${OPENSSL}" \
--with-gmp="${GMP}" \
--with-mpfr="${MPFR}" \
--with-fftw="${FFTW}" \
--enable-Sp=no \
--disable-fermion-reps \
--disable-gparity \
--disable-debug
-15
View File
@@ -1,15 +0,0 @@
#!/usr/bin/env bash
# Environment for building Grid on Apple Silicon Mac with Homebrew dependencies.
# Usage: source systems/mac-arm/sourceme-homebrew.sh
HOMEBREW=/opt/homebrew
export GMP=${HOMEBREW}/opt/gmp
export MPFR=${HOMEBREW}/opt/mpfr
export FFTW=${HOMEBREW}/opt/fftw
export OPENSSL=${HOMEBREW}/opt/openssl@3
export CLIME=/usr/local
export PATH="${HOMEBREW}/opt/open-mpi/bin:${HOMEBREW}/bin:${PATH}"
export LDFLAGS="-L${OPENSSL}/lib"
export CPPFLAGS="-I${OPENSSL}/include"
+458
View File
@@ -0,0 +1,458 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./tests/IO/Test_aggregate_io.cc
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 */
// Correctness and performance test for BINARYIO_AGGREGATE.
//
// Correctness, per aggregateTargetBytes:
// 1. write via the MPI-IO lexicographic path -> ref.bin
// 2. write via the aggregate path -> agg.bin
// 3. the two files must be byte identical <- proves the layout matches
// 4. read agg.bin back through the aggregate path <- proves the mirror inverts
// 5. write and read the non-lexicographic path -> raw.bin. Its layout is
// different by construction (each rank owns one contiguous segment in
// rank order) so it cannot be compared byte for byte, but the NERSC and
// SciDAC checksums are computed from the global site index and are
// therefore layout independent: they must match the other two paths.
// 6. a record written over a longer pre-existing file must leave the file at
// exactly offset+payload, with no trailing fragment of the old contents
//
// Performance: three paths, both directions, timed with the client page cache
// dropped before every read so that a read back reports filesystem bandwidth
// rather than memory bandwidth. The non-lexicographic path is the zero
// overhead reference: no transposition, no layout independence, one disjoint
// contiguous segment per rank, which is the arrangement that reaches full
// filesystem bandwidth on a leadership machine. It is the upper bound the
// other two are trying to approach.
//
// Options:
// --aggregate-target <bytes> sweep this one target only (default: sweep
// 1, 1024, 64K, 4M)
// --io-reps <n> repetitions in the performance section
// (default 3; 0 disables it)
// --io-no-correctness skip the correctness section, which reads the
// whole file on one rank and is not affordable
// at very large volume
// --io-read-only time reads only, of files left in place by an
// earlier job. Reading back what this job just
// wrote measures the client page cache; a fresh
// allocation pointed at the same directory is
// the only way to get a cold read without root.
//
// The exchange is only meaningfully exercised when the fast dimensions are
// split across ranks; --mpi 1.1.X.Y leaves the rows of size one and the test
// then passes vacuously. Non-uniform AllToAllV counts additionally need an
// odd process factor in a fast dimension and a small local volume.
#include <Grid/Grid.h>
#include <fcntl.h>
using namespace Grid;
/////////////////////////////////////////////////////////////////////////////
// Compare in chunks. Slurping both files into memory is fine for a few MB
// and fatal for the multi-GB records this test is meant to reach.
/////////////////////////////////////////////////////////////////////////////
static bool FilesIdentical(std::string a,std::string b)
{
std::ifstream fa(a,std::ios::binary), fb(b,std::ios::binary);
if ( !fa.good() || !fb.good() ) {
std::cout<<GridLogMessage<<" could not open "<<a<<" and/or "<<b<<std::endl;
return false;
}
fa.seekg(0,std::ios::end); fb.seekg(0,std::ios::end);
uint64_t sa = (uint64_t)fa.tellg(), sb = (uint64_t)fb.tellg();
if ( sa != sb ) {
std::cout<<GridLogMessage<<" size mismatch "<<sa<<" vs "<<sb<<std::endl;
return false;
}
fa.seekg(0,std::ios::beg); fb.seekg(0,std::ios::beg);
const uint64_t chunk = 8*1024*1024;
std::vector<char> va(chunk), vb(chunk);
uint64_t done=0;
while ( done < sa ) {
uint64_t n = std::min(chunk,sa-done);
fa.read(&va[0],n);
fb.read(&vb[0],n);
for(uint64_t i=0;i<n;i++){
if ( va[i]!=vb[i] ) {
std::cout<<GridLogMessage<<" first differing byte at "<<done+i<<" of "<<sa<<std::endl;
return false;
}
}
done += n;
}
return true;
}
/////////////////////////////////////////////////////////////////////////////
// Reading back a file we have just written measures the client page cache,
// not the filesystem: the earlier runs of this test reported 8 GB/s on reads
// and ~1 GB/s on writes for the same data. POSIX_FADV_DONTNEED asks the
// kernel to drop the cached pages for the file. It is advisory and every
// rank must do it, since each client caches independently, so treat this as
// best effort rather than a guarantee of a cold read.
/////////////////////////////////////////////////////////////////////////////
static void DropCache(GridBase *grid,std::string file)
{
grid->Barrier();
int fd = ::open(file.c_str(),O_RDONLY);
if ( fd >= 0 ) {
#ifdef POSIX_FADV_DONTNEED
::posix_fadvise(fd,0,0,POSIX_FADV_DONTNEED);
#endif
::close(fd);
}
grid->Barrier();
}
static uint64_t OptionU64(int argc,char **argv,const char *opt,uint64_t def)
{
if ( GridCmdOptionExists(argv,argv+argc,opt) ) {
std::string arg = GridCmdOptionPayload(argv,argv+argc,opt);
return (uint64_t)std::stoull(arg);
}
return def;
}
int main(int argc,char **argv)
{
Grid_init(&argc,&argv);
Coordinate latt = GridDefaultLatt();
Coordinate simd = GridDefaultSimd(Nd,vComplexD::Nsimd());
Coordinate mpi = GridDefaultMpi();
GridCartesian grid(latt,simd,mpi);
typedef vLorentzColourMatrixD vobj;
typedef LorentzColourMatrixD sobj;
GridParallelRNG pRNG(&grid);
pRNG.SeedFixedIntegers(std::vector<int>({1,2,3,4}));
LatticeGaugeFieldD Umu(&grid);
random(pRNG,Umu);
BinarySimpleMunger<sobj,sobj> munge;
const std::string format("IEEE64BIG");
const int lex = BinaryIO::BINARYIO_LEXICOGRAPHIC;
const int agg = BinaryIO::BINARYIO_LEXICOGRAPHIC|BinaryIO::BINARYIO_AGGREGATE;
const int raw = 0; // no BINARYIO_LEXICOGRAPHIC: contiguous segment per rank
uint64_t payload = (uint64_t)grid._gsites*sizeof(sobj);
std::vector<uint64_t> targets = {1, 1024, 64*1024, 4*1024*1024};
if ( GridCmdOptionExists(argv,argv+argc,"--aggregate-target") ) {
targets.clear();
targets.push_back(OptionU64(argc,argv,"--aggregate-target",4*1024*1024));
}
uint64_t reps = OptionU64(argc,argv,"--io-reps",3);
bool correctness = !GridCmdOptionExists(argv,argv+argc,"--io-no-correctness");
// Read only: time reads of files left by an earlier job. The only way to
// get a cold client cache without root is to read on an allocation that did
// not write the data, so run one job to write and a second, pointed at the
// same directory, with this flag.
bool readonly = GridCmdOptionExists(argv,argv+argc,"--io-read-only");
if ( readonly ) correctness = false;
std::cout<<GridLogMessage<<"Record payload "<<payload<<" bytes = "
<<payload/1024./1024.<<" MB, "
<<payload/(RealD)grid.ProcessorCount()/1024./1024.<<" MB/rank"<<std::endl;
int failures=0;
//////////////////////////////////////////////////////////////////////////
// Correctness
//////////////////////////////////////////////////////////////////////////
if ( correctness ) for(auto target : targets){
std::cout<<GridLogMessage<<"=== correctness, aggregateTargetBytes = "<<target<<" ==="<<std::endl;
uint32_t n1,a1,b1, n2,a2,b2, n3,a3,b3;
uint64_t off;
// Start from a clean slate. The aggregate path sets the file length to
// exactly offset+payload; the MPI-IO path (MPI_MODE_CREATE) leaves any
// pre-existing tail in place. Comparing stale files would therefore
// report a size mismatch that says nothing about the payload.
if ( grid.IsBoss() ) { ::unlink("ref.bin"); ::unlink("agg.bin"); ::unlink("raw.bin"); }
grid.Barrier();
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"ref.bin",munge,off,format,n1,a1,b1,lex);
BinaryIO::aggregateTargetBytes = target;
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"agg.bin",munge,off,format,n2,a2,b2,agg);
grid.Barrier();
if ( grid.IsBoss() ) {
if ( !FilesIdentical("ref.bin","agg.bin") ) {
std::cout<<GridLogError<<" FAIL: aggregate file differs from lexicographic file"<<std::endl;
failures++;
} else {
std::cout<<GridLogMessage<<" files byte identical"<<std::endl;
}
}
if ( (n1!=n2)||(a1!=a2)||(b1!=b2) ) {
std::cout<<GridLogError<<" FAIL: checksum mismatch between paths"<<std::endl;
failures++;
}
// writeLatticeObject takes offset by value, so the out-parameter that
// IOobject sets never reaches us here and cannot be checked directly.
// The observable equivalent is the file length: both paths must leave the
// record ending at exactly offset+payload.
if ( grid.IsBoss() ) {
for(auto f : {std::string("ref.bin"),std::string("agg.bin")}){
std::ifstream fs(f,std::ios::binary|std::ios::ate);
uint64_t sz = (uint64_t)fs.tellg();
if ( sz != payload ) {
std::cout<<GridLogError<<" FAIL: "<<f<<" is "<<sz<<" bytes, expected "<<payload<<std::endl;
failures++;
}
}
}
LatticeGaugeFieldD Uchk(&grid);
DropCache(&grid,"agg.bin");
off=0;
BinaryIO::readLatticeObject<vobj,sobj>(Uchk,"agg.bin",munge,off,format,n3,a3,b3,agg);
if ( (n3!=n1)||(a3!=a1)||(b3!=b1) ) {
std::cout<<GridLogError<<" FAIL: read back checksum mismatch"<<std::endl;
failures++;
}
Uchk = Uchk - Umu;
RealD residual = norm2(Uchk);
std::cout<<GridLogMessage<<" read back residual "<<residual<<std::endl;
if ( residual != 0.0 ) {
std::cout<<GridLogError<<" FAIL: read back does not reproduce the field"<<std::endl;
failures++;
}
////////////////////////////////////////////////////////////////////////
// Non-lexicographic. Different file layout by construction, so compare
// by checksum and by round trip rather than by bytes.
////////////////////////////////////////////////////////////////////////
uint32_t n4,a4,b4, n5,a5,b5;
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"raw.bin",munge,off,format,n4,a4,b4,raw);
grid.Barrier();
if ( (n4!=n1)||(a4!=a1)||(b4!=b1) ) {
std::cout<<GridLogError<<" FAIL: raw path checksum differs; the NERSC and"
<<" SciDAC checksums are layout independent and must agree"<<std::endl;
failures++;
}
DropCache(&grid,"raw.bin");
off=0;
BinaryIO::readLatticeObject<vobj,sobj>(Uchk,"raw.bin",munge,off,format,n5,a5,b5,raw);
if ( (n5!=n1)||(a5!=a1)||(b5!=b1) ) {
std::cout<<GridLogError<<" FAIL: raw read back checksum mismatch"<<std::endl;
failures++;
}
Uchk = Uchk - Umu;
RealD rawresidual = norm2(Uchk);
std::cout<<GridLogMessage<<" raw read back residual "<<rawresidual<<std::endl;
if ( rawresidual != 0.0 ) {
std::cout<<GridLogError<<" FAIL: raw read back does not reproduce the field"<<std::endl;
failures++;
}
}
//////////////////////////////////////////////////////////////////////////
// Truncation. offset!=0 is the case that matters: it is what ILDG and
// NERSC use, and it is the branch that used to only ever grow the file.
// The oversized starting file is made by extending a sparse one rather
// than writing padding from a single rank, which does not scale.
//////////////////////////////////////////////////////////////////////////
if ( correctness ) {
BinaryIO::aggregateTargetBytes = 4*1024*1024;
for(uint64_t testOffset : {(uint64_t)0, (uint64_t)1024}){
uint64_t expect = testOffset + payload;
if ( grid.IsBoss() ) {
{ std::ofstream create("trunc.bin",std::ios::binary|std::ios::out); create.close(); }
int ierr = ::truncate("trunc.bin",(off_t)(expect+65536));
GRID_ASSERT(ierr==0);
}
grid.Barrier();
uint32_t n,a,b;
uint64_t off = testOffset;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"trunc.bin",munge,off,format,n,a,b,agg);
grid.Barrier();
if ( grid.IsBoss() ) {
std::ifstream f("trunc.bin",std::ios::binary|std::ios::ate);
uint64_t sz = (uint64_t)f.tellg();
f.close();
if ( sz != expect ) {
std::cout<<GridLogError<<" FAIL: offset "<<testOffset<<" left file "<<sz
<<" bytes, expected "<<expect<<std::endl;
failures++;
} else {
std::cout<<GridLogMessage<<" truncation ok at offset "<<testOffset
<<": file is exactly "<<sz<<" bytes"<<std::endl;
}
}
}
}
//////////////////////////////////////////////////////////////////////////
// Performance. Four numbers per repetition: write and read, old path and
// new. Reads are preceded by a cache drop; writes are not, so a write
// number is "time to hand the data to the client cache and close", the
// same convention for both paths.
//////////////////////////////////////////////////////////////////////////
if ( reps ) {
LatticeGaugeFieldD Uio(&grid);
uint32_t n,a,b;
// The NERSC and SciDAC checksums are computed from the global site index,
// so all three layouts must produce the same values. This costs nothing
// and is the only correctness check available at a volume where the byte
// for byte comparison (single rank, whole file) is unaffordable.
uint32_t cn[6],ca[6],cb[6];
auto agreeing = [&](const char *what,int lo,int hi){
for(int i=lo+1;i<=hi;i++){
if ( (cn[i]!=cn[lo])||(ca[i]!=ca[lo])||(cb[i]!=cb[lo]) ) {
std::cout<<GridLogError<<" FAIL: "<<what<<" checksums disagree between paths"<<std::endl;
return false;
}
}
return true;
};
for(auto target : targets){
BinaryIO::aggregateTargetBytes = target;
std::cout<<GridLogMessage<<"=== performance, aggregateTargetBytes = "<<target<<" ==="<<std::endl;
std::vector<RealD> wref,wagg,wraw,rref,ragg,rraw;
for(uint64_t rep=0;rep<reps;rep++){
uint64_t off;
// Unlink only before the first repetition. Lustre metadata cost is
// per file, not per byte, so rep 0 reports "create the file and write
// it" and the later reps report the steady state of overwriting an
// existing file -- which is what a multi record file does for every
// record after the first, and what production actually looks like.
if ( (rep==0) && !readonly && grid.IsBoss() ) {
::unlink("ref.bin"); ::unlink("agg.bin"); ::unlink("raw.bin");
}
grid.Barrier();
if ( !readonly ) {
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"ref.bin",munge,off,format,n,a,b,lex);
wref.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[0]=n; ca[0]=a; cb[0]=b;
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"agg.bin",munge,off,format,n,a,b,agg);
wagg.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[1]=n; ca[1]=a; cb[1]=b;
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"raw.bin",munge,off,format,n,a,b,raw);
wraw.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[2]=n; ca[2]=a; cb[2]=b;
if ( !agreeing("write",0,2) ) failures++;
} // !readonly
DropCache(&grid,"ref.bin");
off=0;
BinaryIO::readLatticeObject<vobj,sobj>(Uio,"ref.bin",munge,off,format,n,a,b,lex);
rref.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[3]=n; ca[3]=a; cb[3]=b;
DropCache(&grid,"agg.bin");
off=0;
BinaryIO::readLatticeObject<vobj,sobj>(Uio,"agg.bin",munge,off,format,n,a,b,agg);
ragg.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[4]=n; ca[4]=a; cb[4]=b;
DropCache(&grid,"raw.bin");
off=0;
BinaryIO::readLatticeObject<vobj,sobj>(Uio,"raw.bin",munge,off,format,n,a,b,raw);
rraw.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[5]=n; ca[5]=a; cb[5]=b;
if ( !agreeing("read back",readonly?3:0,5) ) failures++;
}
if ( grid.IsBoss() ) {
auto report = [&](const char *name,std::vector<RealD> &v){
if ( v.empty() ) return;
RealD best=0, sum=0;
for(auto x : v){ if(x>best) best=x; sum+=x; }
// First sample includes file creation, later ones do not; quote both
// rather than a mean that mixes the two.
std::cout<<GridLogMessage<<" PERF target="<<target<<" "<<name
<<" best "<<best<<" MB/s, mean "<<sum/v.size()
<<" MB/s, first(cold create) "<<v[0]<<" MB/s, samples";
for(auto x : v) std::cout<<" "<<x;
std::cout<<std::endl;
};
report("write raw ",wraw); // zero overhead reference
report("write MPI-IO ",wref);
report("write aggregate ",wagg);
report("read raw ",rraw);
report("read MPI-IO ",rref);
report("read aggregate ",ragg);
// Fraction of the zero overhead reference that each layout preserving
// path achieves. This is the number the whole exercise is about.
auto best = [](std::vector<RealD> &v){ RealD m=0; for(auto x:v) if(x>m) m=x; return m; };
if ( !wraw.empty() && best(wraw) > 0 ) {
std::cout<<GridLogMessage<<" PERF target="<<target
<<" write fraction of raw: MPI-IO "<<best(wref)/best(wraw)
<<" aggregate "<<best(wagg)/best(wraw)<<std::endl;
}
if ( !rraw.empty() && best(rraw) > 0 ) {
std::cout<<GridLogMessage<<" PERF target="<<target
<<" read fraction of raw: MPI-IO "<<best(rref)/best(rraw)
<<" aggregate "<<best(ragg)/best(rraw)<<std::endl;
}
}
}
}
if ( grid.IsBoss() ) {
if ( failures ) std::cout<<GridLogError <<failures<<" FAILURE(S)"<<std::endl;
else std::cout<<GridLogMessage<<"ALL AGGREGATE IO TESTS PASSED"<<std::endl;
}
Grid_finalize();
return failures!=0;
}
+261
View File
@@ -0,0 +1,261 @@
/*************************************************************************************
Test_fft_memory.cc
Memory growth test for PlannedFFT on a spin-colour matrix (propagator) field.
The test creates a single PlannedFFT object (which allocates FFTW plans once),
then repeatedly applies FFT_all_dim to the same propagator 400 times.
If PlannedFFT is working correctly the RSS should remain flat after the first
iteration — no new plans, no new deviceVector allocations beyond the per-call
pencil buffer which is freed at the end of each FFT_dim_execute call.
Build exactly like any other Grid test, e.g.:
make Test_fft_memory
or compile manually:
$(CXX) $(CXXFLAGS) Test_fft_memory.cc -o Test_fft_memory $(LDFLAGS)
*************************************************************************************/
#include <Grid/Grid.h>
using namespace Grid;
// --------------------------------------------------------------------------
// Helper: read RSS (resident set size) in kB from /proc/self/status.
// Returns 0 on platforms where /proc is unavailable.
// --------------------------------------------------------------------------
static long getCPURSSKb()
{
long rss = 0;
FILE *fp = fopen("/proc/self/status", "r");
if (!fp) return -1;
char line[256];
while (fgets(line, sizeof(line), fp)) {
if (strncmp(line, "VmRSS:", 6) == 0) {
sscanf(line + 6, "%ld", &rss);
break;
}
}
fclose(fp);
return rss;
}
static long getGPUUsedMb()
{
#if defined(GRID_CUDA)
size_t free_bytes = 0;
size_t total_bytes = 0;
cudaError_t err = cudaMemGetInfo(&free_bytes, &total_bytes);
if (err != cudaSuccess) return -1;
return (long)((total_bytes - free_bytes) / (1024 * 1024));
#elif defined(GRID_HIP)
size_t free_bytes = 0;
size_t total_bytes = 0;
hipError_t err = hipMemGetInfo(&free_bytes, &total_bytes);
if (err != hipSuccess) return -1;
return (long)((total_bytes - free_bytes) / (1024 * 1024));
#else
return -1; // CPU-only build: no GPU to query
#endif
}
// ============================================================
// Convenience struct — one snapshot of both sides
// ============================================================
struct MemSnapshot {
long cpu_rss_kb; // host RSS in kB (-1 if unavailable)
long gpu_used_mb; // device used in MB (-1 if no GPU)
};
static MemSnapshot takeSnapshot()
{
MemSnapshot s;
s.cpu_rss_kb = getCPURSSKb();
s.gpu_used_mb = getGPUUsedMb();
return s;
}
// ============================================================
// Pretty-print one row of the monitoring table
// ============================================================
static void printRow(int iter,
const MemSnapshot &now,
const MemSnapshot &prev)
{
long cpu_delta = (now.cpu_rss_kb >= 0 && prev.cpu_rss_kb >= 0)
? now.cpu_rss_kb - prev.cpu_rss_kb : 0;
long gpu_delta = (now.gpu_used_mb >= 0 && prev.gpu_used_mb >= 0)
? now.gpu_used_mb - prev.gpu_used_mb : 0;
// Sign prefix so deltas are unambiguous
auto sign = [](long v) -> const char* { return v >= 0 ? "+" : ""; };
std::cout << GridLogMessage
<< std::setw(6) << iter
<< " CPU: " << std::setw(10) << now.cpu_rss_kb << " kB"
<< " (" << sign(cpu_delta) << std::setw(7) << cpu_delta << " kB)"
<< " GPU: " << std::setw(7) << now.gpu_used_mb << " MB"
<< " (" << sign(gpu_delta) << std::setw(5) << gpu_delta << " MB)"
<< "\n";
}
// ============================================================
int main(int argc, char **argv)
{
Grid_init(&argc, &argv);
int threads = GridThread::GetThreads();
std::cout << GridLogMessage
<< "Grid is setup to use " << threads << " threads" << std::endl;
// ------------------------------------------------------------------
// Grid setup — use whatever lattice/mpi/simd was passed on the CLI,
// e.g. --grid 8.8.8.8 --mpi 1.1.1.1
// ------------------------------------------------------------------
Coordinate latt_size = GridDefaultLatt();
Coordinate simd_layout = GridDefaultSimd(Nd, vComplexD::Nsimd());
Coordinate mpi_layout = GridDefaultMpi();
GridCartesian GRID(latt_size, simd_layout, mpi_layout);
int vol = 1;
for (int d = 0; d < (int)latt_size.size(); d++) vol *= latt_size[d];
std::cout << GridLogMessage << "Lattice : ";
for (int d = 0; d < Nd; d++) std::cout << latt_size[d] << " ";
std::cout << std::endl;
// ------------------------------------------------------------------
// Propagator field: SpinColourMatrix = 12x12 complex, i.e.
// LatticePropagatorD (= Lattice<iSpinColourMatrix<vComplexD>>).
// This is the standard QCD quark propagator type.
// ------------------------------------------------------------------
LatticePropagatorD prop(&GRID);
// ------------------------------------------------------------------
// Fill the propagator with a momentum-space plane wave,
// following the pattern from Test_fft.cc.
// We set each spin-colour component (a,b) to exp(i * sum_mu p_mu x_mu)
// with a fixed momentum p = (1,2,1,2).
// ------------------------------------------------------------------
Coordinate pvec({1, 2, 1, 2});
LatticeComplexD phase(&GRID);
LatticeComplexD coor(&GRID);
ComplexD ci(0.0, 1.0);
phase = Zero();
for (int mu = 0; mu < Nd; mu++) {
RealD TwoPiL = M_PI * 2.0 / latt_size[mu];
LatticeCoordinate(coor, mu);
phase = phase + (TwoPiL * pvec[mu]) * coor;
}
phase = exp(phase * ci); // e^{i p.x}
// Broadcast the phase into every spin-colour matrix entry
prop = Zero();
prop = prop + phase;
std::cout << GridLogMessage
<< "Propagator norm2 = " << norm2(prop) << std::endl;
// ------------------------------------------------------------------
// Baseline snapshot BEFORE PlannedFFT construction
// ------------------------------------------------------------------
MemSnapshot snap_before_plan = takeSnapshot();
std::cout << GridLogMessage
<< "[mem] Before PlannedFFT construction"
<< " CPU: " << snap_before_plan.cpu_rss_kb << " kB"
<< " GPU: " << snap_before_plan.gpu_used_mb << " MB"
<< std::endl;
// ------------------------------------------------------------------
// Create the PlannedFFT — plans are allocated here ONCE for all
// dimensions and stored inside the object.
// ------------------------------------------------------------------
PlannedFFT<iSpinColourMatrix<vComplexD>> plannedFFT(&GRID);
// ------------------------------------------------------------------
// Snapshot AFTER plan construction — this is the true baseline
// for the loop, because cufftPlanMany itself grabs device memory.
// ------------------------------------------------------------------
MemSnapshot snap_after_plan = takeSnapshot();
std::cout << GridLogMessage
<< "[mem] After PlannedFFT construction"
<< " CPU: " << snap_after_plan.cpu_rss_kb << " kB"
<< " GPU: " << snap_after_plan.gpu_used_mb << " MB"
<< " (plan overhead:"
<< " CPU +" << snap_after_plan.cpu_rss_kb - snap_before_plan.cpu_rss_kb << " kB"
<< " GPU +" << snap_after_plan.gpu_used_mb - snap_before_plan.gpu_used_mb << " MB)"
<< std::endl;
MemoryManager::Print();
// ------------------------------------------------------------------
// 400-iteration loop.
// Each iteration computes the full 4d forward FFT of `prop`.
// We deliberately do NOT cache the result — we always start from
// the same `prop` so the FFT is recomputed identically each time.
// The point is to watch memory, not correctness.
// ------------------------------------------------------------------
const int Niter = 40;
const int Niter2 = 32;
// Print header for the memory table
std::cout << GridLogMessage
<< "\n"
<< std::setw(6) << "iter"
<< " CPU: " << std::setw(10) << "RSS[kB]"
<< " ( delta )"
<< " GPU: " << std::setw(7) << "used[MB]"
<< " (delta)"
<< "\n";
MemSnapshot snap_prev = snap_after_plan;
for (int i = 0; i < Niter; i++) {
std::vector<LatticePropagatorD> G;
for (int j = 0; j < Niter2; j++) {
LatticePropagatorD prop_fft(&GRID);
// Full 4d forward FFT using the pre-built plans
plannedFFT.FFT_all_dim(prop_fft, prop, FFT::forward);
G.push_back(prop_fft);
}
// cudaMemGetInfo reflects the state *after* any pooled frees have
// been committed, so this is accurate without an explicit sync —
// FFT_dim_execute already calls accelerator_barrier() internally.
MemSnapshot snap_now = takeSnapshot();
printRow(i, snap_now, snap_prev);
MemoryManager::Print();
snap_prev = snap_now;
}
// ------------------------------------------------------------------
// Summary
// ------------------------------------------------------------------
MemSnapshot snap_final = takeSnapshot();
long cpu_growth = snap_final.cpu_rss_kb - snap_after_plan.cpu_rss_kb;
long gpu_growth = snap_final.gpu_used_mb - snap_after_plan.gpu_used_mb;
std::cout << GridLogMessage
<< "\n==== Memory summary (baseline = after plan construction) ====\n"
<< " CPU RSS growth over " << Niter << " FFTs : "
<< cpu_growth << " kB"
<< (cpu_growth == 0 ? " OK" : " *** GROWING ***") << "\n"
<< " GPU used growth over " << Niter << " FFTs : "
<< gpu_growth << " MB"
<< (gpu_growth == 0 ? " OK" : " *** GROWING ***") << "\n"
<< " Note: first-call watermark from pool fill is expected and benign.\n"
<< " A leak shows as continuous growth beyond iter ~2-3.\n";
Grid_finalize();
return 0;
}
+2 -2
View File
@@ -36,8 +36,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
using namespace std;
using namespace Grid;
//gridblasHandle_t GridBLAS::gridblasHandle;
//int GridBLAS::gridblasInit;
gridblasHandle_t GridBLAS::gridblasHandle;
int GridBLAS::gridblasInit;
///////////////////////
// Tells little dirac op to use MdagM as the .Op()
+76
View File
@@ -0,0 +1,76 @@
/*
* Isolating the hipfft HIPFFT_PARSE_ERROR on ROCm 7 / hipFFT 1.0.20.
*
* Tests three orderings with an empty rocFFT cache to find which GPU
* operation before plan creation triggers the failure:
* A) hipMalloc only — hypothesis: passes (no async GPU work)
* B) hipMalloc + hipMemset — hypothesis: fails (async GPU work in flight)
* C) hipMalloc + hipMemset — hypothesis: passes (work completed before plan)
* + hipDeviceSynchronize
*
* Compile:
* hipcc -o Test_hipfft_bug_fail Test_hipfft_bug_fail.cc -lhipfft
*
* Run with empty cache:
* rm -rf ~/.cache/
* ./Test_hipfft_bug_fail
*/
#include <cstdio>
#include <hipfft/hipfft.h>
#include <hip/hip_runtime.h>
static const char *res(hipfftResult rv) {
return rv == HIPFFT_SUCCESS ? "SUCCESS" : "PARSE_ERROR";
}
static hipfftResult makePlan(int G, int howmany) {
int n[] = {G};
hipfftHandle p;
size_t workSize = 0;
hipfftCreate(&p);
hipfftResult rv = hipfftMakePlanMany(p, 1, n,
nullptr, 1, G, nullptr, 1, G,
HIPFFT_Z2Z, howmany, &workSize);
hipfftDestroy(p);
return rv;
}
int main(void) {
hipDeviceProp_t prop;
hipGetDeviceProperties(&prop, 0);
printf("Device: %s\n", prop.name);
#ifdef hipfftVersionMinor
printf("hipFFT version: %d.%d.%d\n\n",
hipfftVersionMajor, hipfftVersionMinor, hipfftVersionPatch);
#endif
for (int G : {4, 8, 16, 32}) {
int howmany = 512;
long nelems = (long)G * howmany;
hipfftDoubleComplex *buf = nullptr;
hipMalloc(&buf, nelems * sizeof(hipfftDoubleComplex));
// Tests ordered so each runs before a prior success can populate the cache.
// B first: hipMalloc + hipMemset (async GPU work in flight)
// If this fails, A (no hipMemset) will pass, confirming hipMemset is the trigger.
hipMemset(buf, 0, nelems * sizeof(hipfftDoubleComplex));
hipfftResult rvB = makePlan(G, howmany);
printf("G=%-4d B) hipMalloc + hipMemset : %s\n", G, res(rvB));
// C: hipMalloc + hipMemset + sync — does syncing before plan creation fix it?
hipMemset(buf, 0, nelems * sizeof(hipfftDoubleComplex));
hipDeviceSynchronize();
hipfftResult rvC = makePlan(G, howmany);
printf("G=%-4d C) hipMalloc + hipMemset + sync: %s\n", G, res(rvC));
// A last: hipMalloc only, no async GPU work — should always pass
hipfftResult rvA = makePlan(G, howmany);
printf("G=%-4d A) hipMalloc only : %s\n\n", G, res(rvA));
hipFree(buf);
}
return 0;
}
+61
View File
@@ -0,0 +1,61 @@
/*
* Minimal program demonstrating the workaround for the hipfft ROCm 7 bug.
*
* Workaround: create the hipfft plan BEFORE any hipMalloc. Plan creation
* for G < 32 then succeeds even with an empty rocFFT cache.
*
* Compile:
* hipcc -o Test_hipfft_bug_pass Test_hipfft_bug_pass.cc -lhipfft
*
* Run:
* rm -rf ~/.cache/rocfft
* ./Test_hipfft_bug_pass
*
* Expected: all G values succeed.
* Compare with Test_hipfft_bug_fail.cc which uses the opposite ordering.
*/
#include <cstdio>
#include <hipfft/hipfft.h>
#include <hip/hip_runtime.h>
int main(void) {
hipDeviceProp_t prop;
hipGetDeviceProperties(&prop, 0);
printf("Device: %s\n", prop.name);
#ifdef hipfftVersionMinor
printf("hipFFT version: %d.%d.%d\n\n",
hipfftVersionMajor, hipfftVersionMinor, hipfftVersionPatch);
#endif
for (int G : {8, 16, 32}) {
int howmany = 512;
int n[] = {G};
long nelems = (long)G * howmany;
// Plan created BEFORE hipMalloc — succeeds for all G
hipfftHandle p;
size_t workSize = 0;
hipfftCreate(&p);
hipfftResult rv = hipfftMakePlanMany(p, 1, n,
nullptr, 1, G, nullptr, 1, G,
HIPFFT_Z2Z, howmany, &workSize);
printf("G=%-4d plan-then-hipMalloc: %d (%s)\n",
G, (int)rv, rv == HIPFFT_SUCCESS ? "HIPFFT_SUCCESS" : "HIPFFT_PARSE_ERROR");
if (rv == HIPFFT_SUCCESS) {
hipfftDoubleComplex *buf = nullptr;
hipMalloc(&buf, nelems * sizeof(hipfftDoubleComplex));
hipMemset(buf, 0, nelems * sizeof(hipfftDoubleComplex));
rv = hipfftExecZ2Z(p, buf, buf, HIPFFT_FORWARD);
hipDeviceSynchronize();
printf("G=%-4d execFwd: %d (%s)\n",
G, (int)rv, rv == HIPFFT_SUCCESS ? "HIPFFT_SUCCESS" : "FAILED");
hipFree(buf);
}
hipfftDestroy(p);
}
return 0;
}
+142
View File
@@ -0,0 +1,142 @@
/*
* Minimal reproducer for hipfftMakePlanMany / hipfftPlanMany failures.
*
* Compile on Frontier (no Grid headers needed):
* hipcc -o Test_hipfft_minimal Test_hipfft_minimal.cc -lhipfft
*
* Run:
* ./Test_hipfft_minimal
*/
#include <cstdio>
#include <cstdlib>
#include <hipfft/hipfft.h>
#include <hip/hip_runtime.h>
static const char *hipfftResultString(hipfftResult r) {
switch (r) {
case HIPFFT_SUCCESS: return "HIPFFT_SUCCESS";
case HIPFFT_INVALID_PLAN: return "HIPFFT_INVALID_PLAN";
case HIPFFT_ALLOC_FAILED: return "HIPFFT_ALLOC_FAILED";
case HIPFFT_INVALID_TYPE: return "HIPFFT_INVALID_TYPE";
case HIPFFT_INVALID_VALUE: return "HIPFFT_INVALID_VALUE";
case HIPFFT_INTERNAL_ERROR: return "HIPFFT_INTERNAL_ERROR";
case HIPFFT_EXEC_FAILED: return "HIPFFT_EXEC_FAILED";
case HIPFFT_SETUP_FAILED: return "HIPFFT_SETUP_FAILED";
case HIPFFT_INVALID_SIZE: return "HIPFFT_INVALID_SIZE";
case HIPFFT_UNALIGNED_DATA: return "HIPFFT_UNALIGNED_DATA";
case HIPFFT_INCOMPLETE_PARAMETER_LIST:return "HIPFFT_INCOMPLETE_PARAMETER_LIST";
case HIPFFT_INVALID_DEVICE: return "HIPFFT_INVALID_DEVICE";
case HIPFFT_PARSE_ERROR: return "HIPFFT_PARSE_ERROR";
case HIPFFT_NO_WORKSPACE: return "HIPFFT_NO_WORKSPACE";
case HIPFFT_NOT_IMPLEMENTED: return "HIPFFT_NOT_IMPLEMENTED";
case HIPFFT_NOT_SUPPORTED: return "HIPFFT_NOT_SUPPORTED";
default: return "UNKNOWN";
}
}
// Plan creation + execution for (G, howmany).
// Tests two orderings to isolate whether a prior hipMalloc poisons hipfft
// plan creation for small G on ROCm 7:
// A) plan BEFORE hipMalloc — hypothesis: succeeds
// B) hipMalloc BEFORE plan — hypothesis: fails for G < 32
static void tryPlanAndExec(int G, long howmany) {
int n[] = {G};
long nelems = (long)G * howmany;
printf("--- G=%-4d howmany=%-10ld total_elems=%-12ld ---\n",
G, howmany, nelems);
// --- A: create plan first, allocate buffer afterwards ---
{
hipfftHandle p;
size_t workSize = 0;
hipfftCreate(&p);
hipfftResult rv = hipfftMakePlanMany(p, 1, n,
nullptr, 1, G, nullptr, 1, G,
HIPFFT_Z2Z, (int)howmany, &workSize);
printf(" plan-first create : %d (%s)\n", (int)rv, hipfftResultString(rv));
if (rv == HIPFFT_SUCCESS) {
hipfftDoubleComplex *buf = nullptr;
hipMalloc(&buf, nelems * sizeof(hipfftDoubleComplex));
hipMemset(buf, 0, nelems * sizeof(hipfftDoubleComplex));
rv = hipfftExecZ2Z(p, buf, buf, HIPFFT_FORWARD);
hipDeviceSynchronize();
printf(" plan-first execFwd: %d (%s)\n", (int)rv, hipfftResultString(rv));
hipFree(buf);
}
hipfftDestroy(p);
}
// --- B: hipMalloc first, create plan afterwards ---
{
hipfftDoubleComplex *buf = nullptr;
hipMalloc(&buf, nelems * sizeof(hipfftDoubleComplex));
hipMemset(buf, 0, nelems * sizeof(hipfftDoubleComplex));
hipfftHandle p;
size_t workSize = 0;
hipfftCreate(&p);
hipfftResult rv = hipfftMakePlanMany(p, 1, n,
nullptr, 1, G, nullptr, 1, G,
HIPFFT_Z2Z, (int)howmany, &workSize);
printf(" malloc-first create : %d (%s)\n", (int)rv, hipfftResultString(rv));
if (rv == HIPFFT_SUCCESS) {
rv = hipfftExecZ2Z(p, buf, buf, HIPFFT_FORWARD);
hipDeviceSynchronize();
printf(" malloc-first execFwd: %d (%s)\n", (int)rv, hipfftResultString(rv));
}
hipfftDestroy(p);
hipFree(buf);
}
printf("\n");
}
int main(void) {
// Print HIP device info
int device = 0;
hipGetDevice(&device);
hipDeviceProp_t prop;
hipGetDeviceProperties(&prop, device);
printf("Device %d: %s warpSize=%d\n\n", device, prop.name, prop.warpSize);
#ifdef hipfftVersionMinor
printf("hipFFT version: %d.%d.%d\n\n",
hipfftVersionMajor, hipfftVersionMinor, hipfftVersionPatch);
#endif
// Original sweep with small howmany (these passed first time)
printf("=== Small howmany (original sweep) ===\n\n");
for (int G : {4, 8, 12, 16, 24, 32, 48, 64})
tryPlanAndExec(G, 512);
// Grid-realistic howmany values derived from actual lattice geometries.
// howmany = Ncomp * product(ldimensions[d] for d != dim)
// For LatticeComplexD: Ncomp=1.
printf("=== Grid-realistic parameters ===\n\n");
// --grid 16.16.16.16 4D FFT (KNOWN TO FAIL in Grid)
// Each dim: G=16, Nperp=16^3=4096
tryPlanAndExec(16, 4096);
// --grid 32.32.32.32 4D FFT (KNOWN TO SUCCEED in Grid)
// Each dim: G=32, Nperp=32^3=32768
tryPlanAndExec(32, 32768);
// --grid 32.32.32.32 Ls=8 5D DWF FFT (KNOWN TO FAIL on dim 0 in Grid)
// dim 0: G=8, Nperp=32^4=1048576
tryPlanAndExec(8, 1048576);
// dim 1-4: G=32, Nperp=8*32^3=262144
tryPlanAndExec(32, 262144);
// Extra intermediate cases to bracket the failure
tryPlanAndExec(16, 1024);
tryPlanAndExec(16, 2048);
tryPlanAndExec(16, 8192);
tryPlanAndExec(8, 4096);
tryPlanAndExec(8, 65536);
tryPlanAndExec(8, 262144);
return 0;
}
+168
View File
@@ -0,0 +1,168 @@
/*
* Reproducer for HIPFFT_PARSE_ERROR (error 12) from hipfftMakePlanMany on
* ROCm 7 / hipFFT 1.0.20 (Frontier, MI210 login and MI250X compute nodes).
*
* Observed failure: G < 32 returns HIPFFT_PARSE_ERROR from all three plan
* creation APIs (hipfftPlanMany, hipfftMakePlanMany, hipfftPlan1d) when a
* device buffer is allocated and zeroed with hipMalloc+hipMemset before the
* plan creation call. G >= 32 succeeds.
*
* Contrast with Test_hipfft_minimal.cc (plan-first ordering) which passes
* for all G even with an empty rocFFT cache.
*
* Compile on Frontier (no Grid headers needed):
* hipcc -o Test_hipfft_repro Test_hipfft_repro.cc -lhipfft
*
* Run with empty cache to reproduce the failure:
* rm -rf ~/.cache/rocfft
* ./Test_hipfft_repro
*/
#include <cstdio>
#include <cstdlib>
#include <hipfft/hipfft.h>
#include <hip/hip_runtime.h>
static const char *hipfftResultString(hipfftResult r) {
switch (r) {
case HIPFFT_SUCCESS: return "HIPFFT_SUCCESS";
case HIPFFT_INVALID_PLAN: return "HIPFFT_INVALID_PLAN";
case HIPFFT_ALLOC_FAILED: return "HIPFFT_ALLOC_FAILED";
case HIPFFT_INVALID_TYPE: return "HIPFFT_INVALID_TYPE";
case HIPFFT_INVALID_VALUE: return "HIPFFT_INVALID_VALUE";
case HIPFFT_INTERNAL_ERROR: return "HIPFFT_INTERNAL_ERROR";
case HIPFFT_EXEC_FAILED: return "HIPFFT_EXEC_FAILED";
case HIPFFT_SETUP_FAILED: return "HIPFFT_SETUP_FAILED";
case HIPFFT_INVALID_SIZE: return "HIPFFT_INVALID_SIZE";
case HIPFFT_UNALIGNED_DATA: return "HIPFFT_UNALIGNED_DATA";
case HIPFFT_INCOMPLETE_PARAMETER_LIST:return "HIPFFT_INCOMPLETE_PARAMETER_LIST";
case HIPFFT_INVALID_DEVICE: return "HIPFFT_INVALID_DEVICE";
case HIPFFT_PARSE_ERROR: return "HIPFFT_PARSE_ERROR";
case HIPFFT_NO_WORKSPACE: return "HIPFFT_NO_WORKSPACE";
case HIPFFT_NOT_IMPLEMENTED: return "HIPFFT_NOT_IMPLEMENTED";
case HIPFFT_NOT_SUPPORTED: return "HIPFFT_NOT_SUPPORTED";
default: return "UNKNOWN";
}
}
// Plan creation + execution for (G, howmany) using hipfftCreate+hipfftMakePlanMany.
// This is the path Grid's FFT.h now uses.
static void tryPlanAndExec(int G, long howmany) {
int n[] = {G};
long nelems = (long)G * howmany;
printf("--- G=%-4d howmany=%-10ld total_elems=%-12ld ---\n",
G, howmany, nelems);
// Allocate device buffer (hipfftDoubleComplex = 16 bytes each)
hipfftDoubleComplex *dbuf = nullptr;
hipError_t herr = hipMalloc(&dbuf, nelems * sizeof(hipfftDoubleComplex));
if (herr != hipSuccess) {
printf(" hipMalloc failed (%d) for %ld elems — skipping\n\n", (int)herr, nelems);
return;
}
hipMemset(dbuf, 0, nelems * sizeof(hipfftDoubleComplex));
// 1. hipfftPlanMany (one-step, nullptr embed) — current Grid path
{
hipfftHandle p;
hipfftResult rv = hipfftPlanMany(&p, 1, n,
nullptr, 1, G,
nullptr, 1, G,
HIPFFT_Z2Z, (int)howmany);
printf(" hipfftPlanMany create : %d (%s)\n", (int)rv, hipfftResultString(rv));
if (rv == HIPFFT_SUCCESS) {
rv = hipfftExecZ2Z(p, dbuf, dbuf, HIPFFT_FORWARD);
hipDeviceSynchronize();
printf(" hipfftPlanMany execFwd: %d (%s)\n", (int)rv, hipfftResultString(rv));
hipfftDestroy(p);
}
}
// 2. hipfftCreate + hipfftMakePlanMany (two-step) — also current Grid path
{
hipfftHandle p;
size_t workSize = 0;
hipfftResult rc = hipfftCreate(&p);
if (rc == HIPFFT_SUCCESS) {
hipfftResult rv = hipfftMakePlanMany(p, 1, n,
nullptr, 1, G,
nullptr, 1, G,
HIPFFT_Z2Z, (int)howmany, &workSize);
printf(" hipfftMakePlanMany : %d (%s) workSize=%zu\n",
(int)rv, hipfftResultString(rv), workSize);
if (rv == HIPFFT_SUCCESS) {
rv = hipfftExecZ2Z(p, dbuf, dbuf, HIPFFT_FORWARD);
hipDeviceSynchronize();
printf(" hipfftMakePlanMany exec : %d (%s)\n", (int)rv, hipfftResultString(rv));
}
hipfftDestroy(p);
} else {
printf(" hipfftCreate : %d (%s)\n", (int)rc, hipfftResultString(rc));
}
}
// 3. hipfftPlan1d (simplest API, batch = howmany)
{
hipfftHandle p;
hipfftResult rv = hipfftPlan1d(&p, G, HIPFFT_Z2Z, (int)howmany);
printf(" hipfftPlan1d create : %d (%s)\n", (int)rv, hipfftResultString(rv));
if (rv == HIPFFT_SUCCESS) {
rv = hipfftExecZ2Z(p, dbuf, dbuf, HIPFFT_FORWARD);
hipDeviceSynchronize();
printf(" hipfftPlan1d execFwd: %d (%s)\n", (int)rv, hipfftResultString(rv));
hipfftDestroy(p);
}
}
hipFree(dbuf);
printf("\n");
}
int main(void) {
// Print HIP device info
int device = 0;
hipGetDevice(&device);
hipDeviceProp_t prop;
hipGetDeviceProperties(&prop, device);
printf("Device %d: %s warpSize=%d\n\n", device, prop.name, prop.warpSize);
#ifdef hipfftVersionMinor
printf("hipFFT version: %d.%d.%d\n\n",
hipfftVersionMajor, hipfftVersionMinor, hipfftVersionPatch);
#endif
// Original sweep with small howmany (these passed first time)
printf("=== Small howmany (original sweep) ===\n\n");
for (int G : {4, 8, 12, 16, 24, 32, 48, 64})
tryPlanAndExec(G, 512);
// Grid-realistic howmany values derived from actual lattice geometries.
// howmany = Ncomp * product(ldimensions[d] for d != dim)
// For LatticeComplexD: Ncomp=1.
printf("=== Grid-realistic parameters ===\n\n");
// --grid 16.16.16.16 4D FFT (KNOWN TO FAIL in Grid)
// Each dim: G=16, Nperp=16^3=4096
tryPlanAndExec(16, 4096);
// --grid 32.32.32.32 4D FFT (KNOWN TO SUCCEED in Grid)
// Each dim: G=32, Nperp=32^3=32768
tryPlanAndExec(32, 32768);
// --grid 32.32.32.32 Ls=8 5D DWF FFT (KNOWN TO FAIL on dim 0 in Grid)
// dim 0: G=8, Nperp=32^4=1048576
tryPlanAndExec(8, 1048576);
// dim 1-4: G=32, Nperp=8*32^3=262144
tryPlanAndExec(32, 262144);
// Extra intermediate cases to bracket the failure
tryPlanAndExec(16, 1024);
tryPlanAndExec(16, 2048);
tryPlanAndExec(16, 8192);
tryPlanAndExec(8, 4096);
tryPlanAndExec(8, 65536);
tryPlanAndExec(8, 262144);
return 0;
}
-362
View File
@@ -1,362 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: tests/debug/Test_staggered_hdcg.cc
Authors: Thomas Blum, Peter Boyle
HDCG (Hierarchical Deflation Conjugate Gradient) multigrid solver
for naive staggered fermions, based on arXiv:2409.03904.
Adapts the DWF HDCG infrastructure (Test_general_coarse_hdcg_phys48.cc) to:
- NaiveStaggeredFermion (nearest-neighbour only, no Naik 3-hop term)
- 4D SchurStaggeredOperator: Mpc = m^2 - D_oe * D_eo (hermitian, positive-definite)
- vColourVector fine field type (staggered has colour but no spin)
- NextToNearestStencilGeometry4D: 33-point coarse stencil
Stencil count: D_oe*D_eo has 2-hop fine range. With blocking B >= 2 the coarse
shifts have L1-distance <= 2, giving 33 stencil points in 4D:
1 (identity) + 8 (+-e_mu) + 24 (+-e_mu +- e_nu).
NaiveStaggeredFermion has no Naik term, so any B >= 2 suffices.
To extend to ImprovedStaggeredFermion later, use B >= 6.
Reference: arXiv:2409.03904 (mrhs hermitian multigrid for DWF).
Usage (after build):
./Test_staggered_hdcg --grid 16.16.16.16 --mpi 1.1.1.1
*************************************************************************************/
#include <Grid/Grid.h>
#include <Grid/algorithms/iterative/AdefMrhs.h>
#include <Grid/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h>
#include <Grid/algorithms/iterative/ImplicitlyRestartedBlockLanczosCoarse.h>
using namespace Grid;
// Non-converging CG used as a smoother (fixed number of iterations)
template<class Field>
class CGSmoother : public LinearFunction<Field>
{
public:
typedef LinearOperatorBase<Field> FineOperator;
FineOperator &_Op;
int iters;
CGSmoother(int _iters, FineOperator &Op) : _Op(Op), iters(_iters) {}
void operator()(const Field &in, Field &out)
{
ConjugateGradient<Field> CG(0.0, iters, false);
out = Zero();
CG(_Op, in, out);
}
};
int main(int argc, char **argv)
{
fprintf(stderr, "TRACE: entering main\n"); fflush(stderr);
Grid_init(&argc, &argv);
fprintf(stderr, "TRACE: Grid_init done\n"); fflush(stderr);
//--------------------------------------------------------------------
// Parameters — tune for production
//--------------------------------------------------------------------
const int nbasis = 24; // near-null space dimension
const int cb = 0; // even checkerboard
RealD mass = 0.05;
// NaiveStaggeredFermion: nearest-neighbour hop only (no Naik term).
// c1 = coefficient of the hopping term (1.0 = standard normalisation).
// u0 = tadpole factor (1.0 = no tadpole improvement).
RealD c1 = 1.0;
RealD u0 = 1.0;
//--------------------------------------------------------------------
// Grids
// Fine: UGrid (4D full), UrbGrid (4D red-black)
// Coarse: Coarse4d with dimensions = GridDefaultLatt() / Block
//
// Recommended: GridDefaultLatt() >= 16^4, Block = {4,4,4,4}
// NaiveStaggeredFermion works with any Block >= {2,2,2,2}
//--------------------------------------------------------------------
fprintf(stderr, "TRACE: making UGrid\n"); fflush(stderr);
GridCartesian *UGrid = SpaceTimeGrid::makeFourDimGrid(
GridDefaultLatt(), GridDefaultSimd(Nd, vComplex::Nsimd()), GridDefaultMpi());
fprintf(stderr, "TRACE: making UrbGrid\n"); fflush(stderr);
GridRedBlackCartesian *UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
Coordinate Block({4, 4, 4, 4});
Coordinate clatt = GridDefaultLatt();
for (int d = 0; d < clatt.size(); d++) clatt[d] /= Block[d];
Coordinate csimd = GridDefaultSimd(Nd, vComplex::Nsimd());
Coordinate cmpi = GridDefaultMpi();
fprintf(stderr, "TRACE: making Coarse4d clatt=%d %d %d %d simd=%d %d %d %d mpi=%d %d %d %d Nsimd=%d\n",
clatt[0],clatt[1],clatt[2],clatt[3],
csimd[0],csimd[1],csimd[2],csimd[3],
cmpi[0],cmpi[1],cmpi[2],cmpi[3],
(int)vComplex::Nsimd()); fflush(stderr);
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, csimd, cmpi);
fprintf(stderr, "TRACE: Coarse4d made\n"); fflush(stderr);
//--------------------------------------------------------------------
// RNG + gauge field
//--------------------------------------------------------------------
fprintf(stderr, "TRACE: RNG4\n"); fflush(stderr);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers({1,2,3,4});
fprintf(stderr, "TRACE: RNGrb\n"); fflush(stderr);
GridParallelRNG RNGrb(UGrid); RNGrb.SeedFixedIntegers({5,6,7,8}); // must use full grid, not UrbGrid
fprintf(stderr, "TRACE: Umu\n"); fflush(stderr);
LatticeGaugeField Umu(UGrid);
fprintf(stderr, "TRACE: HotConfig\n"); fflush(stderr);
SU<Nc>::HotConfiguration(RNG4, Umu);
fprintf(stderr, "TRACE: NaiveStaggeredFermionD\n"); fflush(stderr);
NaiveStaggeredFermionD Ds(Umu, *UGrid, *UrbGrid, mass, c1, u0);
fprintf(stderr, "TRACE: SchurStaggeredOperator\n"); fflush(stderr);
SchurStaggeredOperator<NaiveStaggeredFermionD, LatticeStaggeredFermionD> HermOp(Ds);
fprintf(stderr, "TRACE: HermOp done\n"); fflush(stderr);
//--------------------------------------------------------------------
// Subspace: inverse-iteration near-null vectors
//
// CreateSubspace applies CG (4 solves, tol=1e-4) to random noise vectors,
// converging naturally to the low modes of HermOp without needing spectral
// bound tuning. Switch to CreateSubspaceChebyshevNew once the spectrum is
// well characterised (hi ~ 5.0 for naive staggered SchurStaggeredOperator).
//--------------------------------------------------------------------
typedef Aggregation<vColourVector, vTComplex, nbasis> Subspace;
Subspace Aggregates(Coarse4d, UrbGrid, cb);
Aggregates.CreateSubspace(RNGrb, HermOp);
Aggregates.Orthogonalise();
//--------------------------------------------------------------------
// Coarse geometry: NextToNearestStencilGeometry4D
// hops=2 -> 33 stencil points in 4D
//--------------------------------------------------------------------
NextToNearestStencilGeometry4D geom(Coarse4d);
std::cout << GridLogMessage << "Coarse stencil: " << geom.npoint << " points" << std::endl;
//--------------------------------------------------------------------
// Single-RHS coarse operator (used for correctness check below)
//--------------------------------------------------------------------
typedef GeneralCoarsenedMatrix<vColourVector, vTComplex, nbasis> LittleDiracOp;
typedef LittleDiracOp::CoarseVector CoarseVector;
LittleDiracOp LDO(geom, UrbGrid, Coarse4d);
LDO.CoarsenOperator(HermOp, Aggregates);
//--------------------------------------------------------------------
// Correctness check: P M_fine P^T c ≈ M_coarse c
//
// Promote a random coarse vector into the fine subspace, apply the
// fine operator, project back, and compare with the coarse operator
// applied directly. Error should be at the level of subspace
// approximation quality (smaller = better basis vectors).
//--------------------------------------------------------------------
{
GridParallelRNG RNGc(Coarse4d); RNGc.SeedFixedIntegers({9,10,11,12});
CoarseVector c_src(Coarse4d), c_ldop(Coarse4d), c_proj(Coarse4d);
random(RNGc, c_src);
LatticeStaggeredFermionD f_v(UrbGrid), f_Mv(UrbGrid);
Aggregates.PromoteFromSubspace(c_src, f_v);
HermOp.Op(f_v, f_Mv);
Aggregates.ProjectToSubspace(c_proj, f_Mv);
LDO.M(c_src, c_ldop);
c_proj -= c_ldop;
RealD err = norm2(c_proj) / norm2(c_ldop);
std::cout << GridLogMessage
<< "Coarsen check |P*M_fine - M_coarse| / |M_coarse| = " << err << std::endl;
}
//--------------------------------------------------------------------
// Multi-RHS coarse grid
//
// The extra leading dimension holds nrhs right-hand sides packed into
// SIMD lanes, matching the pattern of Test_general_coarse_hdcg_phys48.
//--------------------------------------------------------------------
const int nrhs = vComplex::Nsimd() * 2;
Coordinate mpi = GridDefaultMpi();
Coordinate rhMpi ({1, mpi[0], mpi[1], mpi[2], mpi[3]});
Coordinate rhLatt({nrhs, clatt[0], clatt[1], clatt[2], clatt[3]});
Coordinate rhSimd({vComplex::Nsimd(), 1, 1, 1, 1});
GridCartesian *CoarseMrhs = new GridCartesian(rhLatt, rhSimd, rhMpi);
typedef MultiGeneralCoarsenedMatrix<vColourVector, vTComplex, nbasis> MultiCoarseOp;
MultiCoarseOp mrhs(geom, CoarseMrhs);
mrhs.CoarsenOperator(HermOp, Aggregates, Coarse4d);
//--------------------------------------------------------------------
// Coarse-grid Lanczos for deflation
//--------------------------------------------------------------------
typedef HermitianLinearOperator<MultiCoarseOp, CoarseVector> MrhsHermOp;
MrhsHermOp MrhsCoarseOp(mrhs);
// Estimate spectral bounds for Lanczos Chebyshev filter
CoarseVector pm_src(CoarseMrhs); pm_src = ComplexD(1.0);
PowerMethod<CoarseVector> cPM;
RealD lambda_max = cPM(MrhsCoarseOp, pm_src);
// Chebyshev filter window [lo, hi]:
// lo must sit in the spectral gap between the Nstop-th and (Nstop+1)-th
// coarse eigenvalues so that only the target modes receive cosh amplification.
//
// From a pilot run (16^4 fine, 4^4 coarse, mass=0.05, hot config):
// Group 1 (near-null, 24 modes): lambda in [0.002647, 0.002746] ~= mass^2
// Spectral gap: factor 60 (lambda_24/lambda_23 = 0.165/0.00275)
// Group 2 (second group): lambda in [0.165, 0.179]
//
// lo = 0.02 sits in the spectral gap (factor 7x above lambda_23=0.00275,
// factor 8x below lambda_24=0.165).
// hi = lambda_max_coarse * 1.1 ~= 2.121
// y(lambda_0=0.002647) ~ -1.016 -> T_70 ~ 1.7e5 (cosh(70*0.182))
// y(lambda_23=0.002746) ~ -1.015 -> T_70 ~ 1.6e5
// Relative spread across near-null cluster: ~4.3%
// y(lambda_24=0.165) ~ -0.862 -> inside [lo,hi] -> |T_70| <= 1
//
// order=71 (degree 70) is needed to give ~4% relative spread across the
// near-null cluster of 24 nearly-degenerate eigenvalues; order=31 (tried)
// gave only ~1.7% spread, insufficient for Nk=24/Nm=48 to converge.
// Absolute amplification ~1e5; what matters for IRL convergence is the
// relative spread, not the absolute value.
// lo=0.005 failed (T_70~53, 0/24 modes in 10 restarts).
// lo=0.01 worked but needed 2 restarts (13/24 then 24/24); lo=0.02 converges in 1.
RealD lambda_lo = 0.02;
std::cout << GridLogMessage << "Chebyshev filter: lo=" << lambda_lo
<< " hi=" << lambda_max*1.1 << " order=71" << std::endl;
Chebyshev<CoarseVector> IRLCheby(lambda_lo, lambda_max * 1.1, 71);
// 24 near-null modes (eigenvalues ~mass^2) converge to resid^2~1e-28
// in the first Lanczos restart. The remaining modes (~0.165) are a
// second spectral group that needs more Krylov vectors; handle them
// separately once the basic HDCG solve is validated.
int Nk = 24;
int Nm = 48;
int Nstop = Nk;
GridParallelRNG CRNG(Coarse4d); CRNG.SeedFixedIntegers({13,14,15,16});
ImplicitlyRestartedBlockLanczosCoarse<CoarseVector>
IRL(MrhsCoarseOp, Coarse4d, CoarseMrhs, nrhs, IRLCheby,
Nstop, /*conv_test_interval*/1, nrhs, Nk, Nm, 1.0e-5, 10);
int Nconv;
std::vector<RealD> eval(Nm);
std::vector<CoarseVector> evec(Nm, Coarse4d); // evec on f_grid (single-RHS coarse)
std::vector<CoarseVector> c_srcs(nrhs, Coarse4d); // src on same grid as evec
for (int r = 0; r < nrhs; r++) random(CRNG, c_srcs[r]);
IRL.calc(eval, evec, c_srcs, Nconv, LanczosType::irbl);
//--------------------------------------------------------------------
// HDCG solver assembly
//--------------------------------------------------------------------
MultiRHSDeflation<CoarseVector> MrhsGuesser;
MrhsGuesser.ImportEigenBasis(evec, eval);
// MrhsProjector maps between fine (UrbGrid) and coarse (Coarse4d) spaces
MultiRHSBlockProject<LatticeStaggeredFermionD> MrhsProjector;
MrhsProjector.Allocate(nbasis, UrbGrid, Coarse4d);
MrhsProjector.ImportBasis(Aggregates.subspace);
ConjugateGradient<CoarseVector> CoarseCG(5.0e-2, 5000, false);
DoNothingGuesser<CoarseVector> DoNothing;
HPDSolver<CoarseVector> HPDSolve(MrhsCoarseOp, CoarseCG, DoNothing);
// Spectral radius of the fine operator, needed for the smoother shift.
// Use a random checkerboard vector (UrbGrid) as starting guess for PowerMethod.
LatticeStaggeredFermionD fine_pm_src(UrbGrid);
random(RNGrb, fine_pm_src);
PowerMethod<LatticeStaggeredFermionD> finePM;
RealD fine_lambda_max = finePM(HermOp, fine_pm_src);
// Shifted smoother: CG on (HermOp + shift*I) with shift = lambda_max / 100.
//
// The O(8) CG polynomial has 8 roots. With this shift all 8 roots lie in the
// interval [shift, lambda_max + shift] ~ [0.046, 4.65], so the polynomial
// focuses entirely on the HIGH-frequency part of the spectrum and leaves
// near-null modes (lambda << shift) essentially untouched (polynomial ~ 1 there).
//
// This is the right target because the coarse-grid correction always introduces
// high-frequency spectral leakage: the blocked coarse-grid degrees of freedom
// are piecewise constant across coarse cells and therefore have sharp edges at
// cell boundaries (like lego-block edges). Smoothness is measured by the
// covariant Dirac derivative, so promoting the coarse solution back to the
// fine grid inevitably excites high-frequency components — just as a step
// function always carries high-frequency Fourier content. The smoother must
// repair exactly these high modes.
//
// The smoother and the coarse-grid correction are applied alternately: together
// they both lift the low eigenvalues and pull down the upper eigenvalues of the
// composite preconditioned operator, reducing the condition number seen by the
// outer HDCG iterations.
//
// DWF HDCG convention; using mass^2 = 0.0025 was far too small: it scattered
// the 8 roots over [0.005, 4.6] and diluted their effect on the high modes.
RealD smootherShift = fine_lambda_max / 200.0;
std::cout << GridLogMessage << "Smoother shift: lambda_max_fine/200 = "
<< fine_lambda_max << "/200 = " << smootherShift << std::endl;
ShiftedHermOpLinearOperator<LatticeStaggeredFermionD> ShiftedOp(HermOp, smootherShift);
CGSmoother<LatticeStaggeredFermionD> smoother(8, ShiftedOp);
TwoLevelADEF2mrhs<LatticeStaggeredFermionD, CoarseVector>
HDCG(1.0e-8, 500,
HermOp,
smoother,
HPDSolve, // M1 (coarse correction)
HPDSolve, // Vstart (initial guess projection)
MrhsProjector,
MrhsGuesser,
CoarseMrhs);
//--------------------------------------------------------------------
// Solve: nrhs right-hand sides simultaneously
//--------------------------------------------------------------------
std::vector<LatticeStaggeredFermionD> src(nrhs, UrbGrid);
std::vector<LatticeStaggeredFermionD> sol(nrhs, UrbGrid);
GridParallelRNG RNGrb2(UGrid); RNGrb2.SeedFixedIntegers({17,18,19,20}); // must use full grid, not UrbGrid
for (int r = 0; r < nrhs; r++) {
random(RNGrb2, src[r]);
sol[r] = Zero();
}
//--------------------------------------------------------------------
// Baseline: standard single-RHS CG on HermOp (no preconditioning)
// Run before HDCG to establish the unpreconditioned iteration count
// and wall-clock time for direct comparison.
//--------------------------------------------------------------------
{
ConjugateGradient<LatticeStaggeredFermionD> CG(1.0e-8, 50000, false);
std::vector<LatticeStaggeredFermionD> cg_sol(nrhs, UrbGrid);
for (int r = 0; r < nrhs; r++) cg_sol[r] = Zero();
RealD t0 = usecond();
int total_iters = 0;
for (int r = 0; r < nrhs; r++) {
std::cout << GridLogMessage << "====== CG baseline RHS " << r
<< " ======" << std::endl;
CG(HermOp, src[r], cg_sol[r]);
total_iters += CG.IterationsToComplete;
}
RealD t1 = usecond();
std::cout << GridLogMessage << "CG baseline: " << nrhs << " RHS, "
<< total_iters << " total iterations, "
<< (t1 - t0) / 1.0e6 << " s total, "
<< (t1 - t0) / 1.0e6 / nrhs << " s/RHS" << std::endl;
}
//--------------------------------------------------------------------
// HDCG solve
//--------------------------------------------------------------------
HDCG(src, sol);
Grid_finalize();
return 0;
}
-373
View File
@@ -1,373 +0,0 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: tests/debug/Test_staggered_hdcg.cc
Authors: Thomas Blum, Peter Boyle
HDCG (Hierarchical Deflation Conjugate Gradient) multigrid solver
for naive staggered fermions, based on arXiv:2409.03904.
Adapts the DWF HDCG infrastructure (Test_general_coarse_hdcg_phys48.cc) to:
- NaiveStaggeredFermion (nearest-neighbour only, no Naik 3-hop term)
- 4D SchurStaggeredOperator: Mpc = m^2 - D_oe * D_eo (hermitian, positive-definite)
- vColourVector fine field type (staggered has colour but no spin)
- NextToNearestStencilGeometry4D: 33-point coarse stencil
Stencil count: D_oe*D_eo has 2-hop fine range. With blocking B >= 2 the coarse
shifts have L1-distance <= 2, giving 33 stencil points in 4D:
1 (identity) + 8 (+-e_mu) + 24 (+-e_mu +- e_nu).
NaiveStaggeredFermion has no Naik term, so any B >= 2 suffices.
To extend to ImprovedStaggeredFermion later, use B >= 6.
Reference: arXiv:2409.03904 (mrhs hermitian multigrid for DWF).
Usage (after build):
./Test_staggered_hdcg --grid 16.16.16.16 --mpi 1.1.1.1
*************************************************************************************/
#include <Grid/Grid.h>
#include <Grid/algorithms/iterative/AdefMrhs.h>
#include <Grid/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h>
#include <Grid/algorithms/iterative/ImplicitlyRestartedBlockLanczosCoarse.h>
using namespace Grid;
// Non-converging CG used as a smoother (fixed number of iterations)
template<class Field>
class CGSmoother : public LinearFunction<Field>
{
public:
typedef LinearOperatorBase<Field> FineOperator;
FineOperator &_Op;
int iters;
CGSmoother(int _iters, FineOperator &Op) : _Op(Op), iters(_iters) {}
void operator()(const Field &in, Field &out)
{
ConjugateGradient<Field> CG(0.0, iters, false);
out = Zero();
CG(_Op, in, out);
}
};
int main(int argc, char **argv)
{
fprintf(stderr, "TRACE: entering main\n"); fflush(stderr);
Grid_init(&argc, &argv);
fprintf(stderr, "TRACE: Grid_init done\n"); fflush(stderr);
//--------------------------------------------------------------------
// Parameters — tune for production
//--------------------------------------------------------------------
const int nbasis = 24; // near-null space dimension
const int cb = 0; // even checkerboard
RealD mass = 0.00184;
// NaiveStaggeredFermion: nearest-neighbour hop only (no Naik term).
// c1 = coefficient of the hopping term (1.0 = standard normalisation).
// u0 = tadpole factor (1.0 = no tadpole improvement).
RealD c1 = 1.0;
RealD u0 = 1.0;
//--------------------------------------------------------------------
// Grids
// Fine: UGrid (4D full), UrbGrid (4D red-black)
// Coarse: Coarse4d with dimensions = GridDefaultLatt() / Block
//
// Recommended: GridDefaultLatt() >= 16^4, Block = {4,4,4,4}
// NaiveStaggeredFermion works with any Block >= {2,2,2,2}
//--------------------------------------------------------------------
fprintf(stderr, "TRACE: making UGrid\n"); fflush(stderr);
GridCartesian *UGrid = SpaceTimeGrid::makeFourDimGrid(
GridDefaultLatt(), GridDefaultSimd(Nd, vComplex::Nsimd()), GridDefaultMpi());
fprintf(stderr, "TRACE: making UrbGrid\n"); fflush(stderr);
GridRedBlackCartesian *UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
Coordinate Block({4, 4, 4, 4});
Coordinate clatt = GridDefaultLatt();
for (int d = 0; d < clatt.size(); d++) clatt[d] /= Block[d];
Coordinate csimd = GridDefaultSimd(Nd, vComplex::Nsimd());
Coordinate cmpi = GridDefaultMpi();
fprintf(stderr, "TRACE: making Coarse4d clatt=%d %d %d %d simd=%d %d %d %d mpi=%d %d %d %d Nsimd=%d\n",
clatt[0],clatt[1],clatt[2],clatt[3],
csimd[0],csimd[1],csimd[2],csimd[3],
cmpi[0],cmpi[1],cmpi[2],cmpi[3],
(int)vComplex::Nsimd()); fflush(stderr);
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, csimd, cmpi);
fprintf(stderr, "TRACE: Coarse4d made\n"); fflush(stderr);
//--------------------------------------------------------------------
// RNG + gauge field
//--------------------------------------------------------------------
fprintf(stderr, "TRACE: RNG4\n"); fflush(stderr);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers({1,2,3,4});
fprintf(stderr, "TRACE: RNGrb\n"); fflush(stderr);
GridParallelRNG RNGrb(UGrid); RNGrb.SeedFixedIntegers({5,6,7,8}); // must use full grid, not UrbGrid
fprintf(stderr, "TRACE: Umu\n"); fflush(stderr);
LatticeGaugeField Umu(UGrid);
int HotStart = 0;
if ( HotStart ) {
fprintf(stderr, "TRACE: HotConfig\n"); fflush(stderr);
SU<Nc>::HotConfiguration(RNG4, Umu);
} else {
FieldMetaData header;
std::string file("./configuration.ildg");
IldgReader IR;
IR.open(file);
IR.readConfiguration(Umu,header);
IR.close();
}
fprintf(stderr, "TRACE: NaiveStaggeredFermionD\n"); fflush(stderr);
NaiveStaggeredFermionD Ds(Umu, *UGrid, *UrbGrid, mass, c1, u0);
fprintf(stderr, "TRACE: SchurStaggeredOperator\n"); fflush(stderr);
SchurStaggeredOperator<NaiveStaggeredFermionD, LatticeStaggeredFermionD> HermOp(Ds);
fprintf(stderr, "TRACE: HermOp done\n"); fflush(stderr);
//--------------------------------------------------------------------
// Subspace: inverse-iteration near-null vectors
//
// CreateSubspace applies CG (4 solves, tol=1e-4) to random noise vectors,
// converging naturally to the low modes of HermOp without needing spectral
// bound tuning. Switch to CreateSubspaceChebyshevNew once the spectrum is
// well characterised (hi ~ 5.0 for naive staggered SchurStaggeredOperator).
//--------------------------------------------------------------------
typedef Aggregation<vColourVector, vTComplex, nbasis> Subspace;
Subspace Aggregates(Coarse4d, UrbGrid, cb);
Aggregates.CreateSubspace(RNGrb, HermOp);
Aggregates.Orthogonalise();
//--------------------------------------------------------------------
// Coarse geometry: NextToNearestStencilGeometry4D
// hops=2 -> 33 stencil points in 4D
//--------------------------------------------------------------------
NextToNearestStencilGeometry4D geom(Coarse4d);
std::cout << GridLogMessage << "Coarse stencil: " << geom.npoint << " points" << std::endl;
//--------------------------------------------------------------------
// Single-RHS coarse operator (used for correctness check below)
//--------------------------------------------------------------------
typedef GeneralCoarsenedMatrix<vColourVector, vTComplex, nbasis> LittleDiracOp;
typedef LittleDiracOp::CoarseVector CoarseVector;
LittleDiracOp LDO(geom, UrbGrid, Coarse4d);
LDO.CoarsenOperator(HermOp, Aggregates);
//--------------------------------------------------------------------
// Correctness check: P M_fine P^T c ≈ M_coarse c
//
// Promote a random coarse vector into the fine subspace, apply the
// fine operator, project back, and compare with the coarse operator
// applied directly. Error should be at the level of subspace
// approximation quality (smaller = better basis vectors).
//--------------------------------------------------------------------
{
GridParallelRNG RNGc(Coarse4d); RNGc.SeedFixedIntegers({9,10,11,12});
CoarseVector c_src(Coarse4d), c_ldop(Coarse4d), c_proj(Coarse4d);
random(RNGc, c_src);
LatticeStaggeredFermionD f_v(UrbGrid), f_Mv(UrbGrid);
Aggregates.PromoteFromSubspace(c_src, f_v);
HermOp.Op(f_v, f_Mv);
Aggregates.ProjectToSubspace(c_proj, f_Mv);
LDO.M(c_src, c_ldop);
c_proj -= c_ldop;
RealD err = norm2(c_proj) / norm2(c_ldop);
std::cout << GridLogMessage
<< "Coarsen check |P*M_fine - M_coarse| / |M_coarse| = " << err << std::endl;
}
//--------------------------------------------------------------------
// Multi-RHS coarse grid
//
// The extra leading dimension holds nrhs right-hand sides packed into
// SIMD lanes, matching the pattern of Test_general_coarse_hdcg_phys48.
//--------------------------------------------------------------------
const int nrhs = vComplex::Nsimd() * 2;
Coordinate mpi = GridDefaultMpi();
Coordinate rhMpi ({1, mpi[0], mpi[1], mpi[2], mpi[3]});
Coordinate rhLatt({nrhs, clatt[0], clatt[1], clatt[2], clatt[3]});
Coordinate rhSimd({vComplex::Nsimd(), 1, 1, 1, 1});
GridCartesian *CoarseMrhs = new GridCartesian(rhLatt, rhSimd, rhMpi);
typedef MultiGeneralCoarsenedMatrix<vColourVector, vTComplex, nbasis> MultiCoarseOp;
MultiCoarseOp mrhs(geom, CoarseMrhs);
mrhs.CoarsenOperator(HermOp, Aggregates, Coarse4d);
//--------------------------------------------------------------------
// Coarse-grid Lanczos for deflation
//--------------------------------------------------------------------
typedef HermitianLinearOperator<MultiCoarseOp, CoarseVector> MrhsHermOp;
MrhsHermOp MrhsCoarseOp(mrhs);
// Estimate spectral bounds for Lanczos Chebyshev filter
CoarseVector pm_src(CoarseMrhs); pm_src = ComplexD(1.0);
PowerMethod<CoarseVector> cPM;
RealD lambda_max = cPM(MrhsCoarseOp, pm_src);
// Chebyshev filter window [lo, hi]:
// lo must sit in the spectral gap between the Nstop-th and (Nstop+1)-th
// coarse eigenvalues so that only the target modes receive cosh amplification.
//
// From a pilot run (16^4 fine, 4^4 coarse, mass=0.05, hot config):
// Group 1 (near-null, 24 modes): lambda in [0.002647, 0.002746] ~= mass^2
// Spectral gap: factor 60 (lambda_24/lambda_23 = 0.165/0.00275)
// Group 2 (second group): lambda in [0.165, 0.179]
//
// lo = 0.02 sits in the spectral gap (factor 7x above lambda_23=0.00275,
// factor 8x below lambda_24=0.165).
// hi = lambda_max_coarse * 1.1 ~= 2.121
// y(lambda_0=0.002647) ~ -1.016 -> T_70 ~ 1.7e5 (cosh(70*0.182))
// y(lambda_23=0.002746) ~ -1.015 -> T_70 ~ 1.6e5
// Relative spread across near-null cluster: ~4.3%
// y(lambda_24=0.165) ~ -0.862 -> inside [lo,hi] -> |T_70| <= 1
//
// order=71 (degree 70) is needed to give ~4% relative spread across the
// near-null cluster of 24 nearly-degenerate eigenvalues; order=31 (tried)
// gave only ~1.7% spread, insufficient for Nk=24/Nm=48 to converge.
// Absolute amplification ~1e5; what matters for IRL convergence is the
// relative spread, not the absolute value.
// lo=0.005 failed (T_70~53, 0/24 modes in 10 restarts).
// lo=0.01 worked but needed 2 restarts (13/24 then 24/24); lo=0.02 converges in 1.
RealD lambda_lo = 0.02;
std::cout << GridLogMessage << "Chebyshev filter: lo=" << lambda_lo
<< " hi=" << lambda_max*1.1 << " order=71" << std::endl;
Chebyshev<CoarseVector> IRLCheby(lambda_lo, lambda_max * 1.1, 71);
// 24 near-null modes (eigenvalues ~mass^2) converge to resid^2~1e-28
// in the first Lanczos restart. The remaining modes (~0.165) are a
// second spectral group that needs more Krylov vectors; handle them
// separately once the basic HDCG solve is validated.
int Nk = 24;
int Nm = 48;
int Nstop = Nk;
GridParallelRNG CRNG(Coarse4d); CRNG.SeedFixedIntegers({13,14,15,16});
ImplicitlyRestartedBlockLanczosCoarse<CoarseVector>
IRL(MrhsCoarseOp, Coarse4d, CoarseMrhs, nrhs, IRLCheby,
Nstop, /*conv_test_interval*/1, nrhs, Nk, Nm, 1.0e-5, 10);
int Nconv;
std::vector<RealD> eval(Nm);
std::vector<CoarseVector> evec(Nm, Coarse4d); // evec on f_grid (single-RHS coarse)
std::vector<CoarseVector> c_srcs(nrhs, Coarse4d); // src on same grid as evec
for (int r = 0; r < nrhs; r++) random(CRNG, c_srcs[r]);
IRL.calc(eval, evec, c_srcs, Nconv, LanczosType::irbl);
//--------------------------------------------------------------------
// HDCG solver assembly
//--------------------------------------------------------------------
MultiRHSDeflation<CoarseVector> MrhsGuesser;
MrhsGuesser.ImportEigenBasis(evec, eval);
// MrhsProjector maps between fine (UrbGrid) and coarse (Coarse4d) spaces
MultiRHSBlockProject<LatticeStaggeredFermionD> MrhsProjector;
MrhsProjector.Allocate(nbasis, UrbGrid, Coarse4d);
MrhsProjector.ImportBasis(Aggregates.subspace);
ConjugateGradient<CoarseVector> CoarseCG(5.0e-2, 5000, false);
DoNothingGuesser<CoarseVector> DoNothing;
HPDSolver<CoarseVector> HPDSolve(MrhsCoarseOp, CoarseCG, DoNothing);
// Spectral radius of the fine operator, needed for the smoother shift.
// Use a random checkerboard vector (UrbGrid) as starting guess for PowerMethod.
LatticeStaggeredFermionD fine_pm_src(UrbGrid);
random(RNGrb, fine_pm_src);
PowerMethod<LatticeStaggeredFermionD> finePM;
RealD fine_lambda_max = finePM(HermOp, fine_pm_src);
// Shifted smoother: CG on (HermOp + shift*I) with shift = lambda_max / 100.
//
// The O(8) CG polynomial has 8 roots. With this shift all 8 roots lie in the
// interval [shift, lambda_max + shift] ~ [0.046, 4.65], so the polynomial
// focuses entirely on the HIGH-frequency part of the spectrum and leaves
// near-null modes (lambda << shift) essentially untouched (polynomial ~ 1 there).
//
// This is the right target because the coarse-grid correction always introduces
// high-frequency spectral leakage: the blocked coarse-grid degrees of freedom
// are piecewise constant across coarse cells and therefore have sharp edges at
// cell boundaries (like lego-block edges). Smoothness is measured by the
// covariant Dirac derivative, so promoting the coarse solution back to the
// fine grid inevitably excites high-frequency components — just as a step
// function always carries high-frequency Fourier content. The smoother must
// repair exactly these high modes.
//
// The smoother and the coarse-grid correction are applied alternately: together
// they both lift the low eigenvalues and pull down the upper eigenvalues of the
// composite preconditioned operator, reducing the condition number seen by the
// outer HDCG iterations.
//
// DWF HDCG convention; using mass^2 = 0.0025 was far too small: it scattered
// the 8 roots over [0.005, 4.6] and diluted their effect on the high modes.
RealD smootherShift = fine_lambda_max / 200.0;
std::cout << GridLogMessage << "Smoother shift: lambda_max_fine/200 = "
<< fine_lambda_max << "/200 = " << smootherShift << std::endl;
ShiftedHermOpLinearOperator<LatticeStaggeredFermionD> ShiftedOp(HermOp, smootherShift);
CGSmoother<LatticeStaggeredFermionD> smoother(8, ShiftedOp);
TwoLevelADEF2mrhs<LatticeStaggeredFermionD, CoarseVector>
HDCG(1.0e-8, 500,
HermOp,
smoother,
HPDSolve, // M1 (coarse correction)
HPDSolve, // Vstart (initial guess projection)
MrhsProjector,
MrhsGuesser,
CoarseMrhs);
//--------------------------------------------------------------------
// Solve: nrhs right-hand sides simultaneously
//--------------------------------------------------------------------
std::vector<LatticeStaggeredFermionD> src(nrhs, UrbGrid);
std::vector<LatticeStaggeredFermionD> sol(nrhs, UrbGrid);
GridParallelRNG RNGrb2(UGrid); RNGrb2.SeedFixedIntegers({17,18,19,20}); // must use full grid, not UrbGrid
for (int r = 0; r < nrhs; r++) {
random(RNGrb2, src[r]);
sol[r] = Zero();
}
//--------------------------------------------------------------------
// Baseline: standard single-RHS CG on HermOp (no preconditioning)
// Run before HDCG to establish the unpreconditioned iteration count
// and wall-clock time for direct comparison.
//--------------------------------------------------------------------
{
ConjugateGradient<LatticeStaggeredFermionD> CG(1.0e-8, 100000, false);
std::vector<LatticeStaggeredFermionD> cg_sol(nrhs, UrbGrid);
for (int r = 0; r < nrhs; r++) cg_sol[r] = Zero();
RealD t0 = usecond();
int total_iters = 0;
for (int r = 0; r < nrhs; r++) {
std::cout << GridLogMessage << "====== CG baseline RHS " << r
<< " ======" << std::endl;
CG(HermOp, src[r], cg_sol[r]);
total_iters += CG.IterationsToComplete;
}
RealD t1 = usecond();
std::cout << GridLogMessage << "CG baseline: " << nrhs << " RHS, "
<< total_iters << " total iterations, "
<< (t1 - t0) / 1.0e6 << " s total, "
<< (t1 - t0) / 1.0e6 / nrhs << " s/RHS" << std::endl;
}
//--------------------------------------------------------------------
// HDCG solve
//--------------------------------------------------------------------
HDCG(src, sol);
Grid_finalize();
return 0;
}