No compile on comms == none fix

Think this is nearly there

.gitignore

@@ -92,6 +92,7 @@ build*/*
 #####################
 *.xcodeproj/*
 build.sh
+.vscode
 
 # Eigen source #
 ################
@@ -106,6 +107,10 @@ lib/fftw/*
 m4/lt*
 m4/libtool.m4
 
+# github pages #
+################
+gh-pages/
+
 # Buck files #
 ##############
 .buck*
@@ -116,4 +121,5 @@ make-bin-BUCK.sh
 # generated sources #
 #####################
 lib/qcd/spin/gamma-gen/*.h
-lib/qcd/spin/gamma-gen/*.cc
+lib/qcd/spin/gamma-gen/*.cc
+

.travis.yml

@@ -7,64 +7,8 @@ cache:
 matrix:
   include:
     - os:        osx
-      osx_image: xcode7.2
+      osx_image: xcode8.3
       compiler: clang
-    - compiler: gcc
-      addons:
-        apt:
-          sources:
-            - ubuntu-toolchain-r-test
-          packages:
-            - g++-4.9
-            - libmpfr-dev
-            - libgmp-dev
-            - libmpc-dev
-            - libopenmpi-dev
-            - openmpi-bin
-            - binutils-dev
-      env: VERSION=-4.9
-    - compiler: gcc
-      addons:
-        apt:
-          sources:
-            - ubuntu-toolchain-r-test
-          packages:
-            - g++-5
-            - libmpfr-dev
-            - libgmp-dev
-            - libmpc-dev
-            - libopenmpi-dev
-            - openmpi-bin
-            - binutils-dev
-      env: VERSION=-5
-    - compiler: clang
-      addons:
-        apt:
-          sources:
-            - ubuntu-toolchain-r-test
-          packages:
-            - g++-4.8
-            - libmpfr-dev
-            - libgmp-dev
-            - libmpc-dev
-            - libopenmpi-dev
-            - openmpi-bin
-            - binutils-dev
-      env: CLANG_LINK=http://llvm.org/releases/3.8.0/clang+llvm-3.8.0-x86_64-linux-gnu-ubuntu-14.04.tar.xz
-    - compiler: clang
-      addons:
-        apt:
-          sources:
-            - ubuntu-toolchain-r-test
-          packages:
-            - g++-4.8
-            - libmpfr-dev
-            - libgmp-dev
-            - libmpc-dev
-            - libopenmpi-dev
-            - openmpi-bin
-            - binutils-dev
-      env: CLANG_LINK=http://llvm.org/releases/3.7.0/clang+llvm-3.7.0-x86_64-linux-gnu-ubuntu-14.04.tar.xz
       
 before_install:
     - export GRIDDIR=`pwd`
@@ -73,13 +17,15 @@ before_install:
     - if [[ "$TRAVIS_OS_NAME" == "linux" ]] && [[ "$CC" == "clang" ]]; then export LD_LIBRARY_PATH="${GRIDDIR}/clang/lib:${LD_LIBRARY_PATH}"; fi
     - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew update; fi
     - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew install libmpc; fi
-    - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew install openmpi; fi
-    - if [[ "$TRAVIS_OS_NAME" == "osx" ]] && [[ "$CC" == "gcc" ]]; then brew install gcc5; fi
     
 install:
     - export CC=$CC$VERSION
     - export CXX=$CXX$VERSION
     - echo $PATH
+    - which autoconf
+    - autoconf  --version
+    - which automake
+    - automake  --version
     - which $CC
     - $CC  --version
     - which $CXX
@@ -92,15 +38,9 @@ script:
     - cd build
     - ../configure --enable-precision=single --enable-simd=SSE4 --enable-comms=none
     - make -j4 
-    - ./benchmarks/Benchmark_dwf --threads 1
+    - ./benchmarks/Benchmark_dwf --threads 1 --debug-signals
     - echo make clean
     - ../configure --enable-precision=double --enable-simd=SSE4 --enable-comms=none
     - make -j4
-    - ./benchmarks/Benchmark_dwf --threads 1
-    - echo make clean
-    - if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then export CXXFLAGS='-DMPI_UINT32_T=MPI_UNSIGNED -DMPI_UINT64_T=MPI_UNSIGNED_LONG'; fi
-    - ../configure --enable-precision=single --enable-simd=SSE4 --enable-comms=mpi-auto
-    - make -j4
-    - if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then mpirun.openmpi -n 2 ./benchmarks/Benchmark_dwf --threads 1 --mpi 2.1.1.1; fi
-    - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then mpirun -n 2 ./benchmarks/Benchmark_dwf --threads 1 --mpi 2.1.1.1; fi
-
+    - ./benchmarks/Benchmark_dwf --threads 1 --debug-signals
+    - make check

Makefile.am

@@ -3,10 +3,15 @@ SUBDIRS = lib benchmarks tests extras
 
 include $(top_srcdir)/doxygen.inc
 
-tests: all
-	$(MAKE) -C tests tests
+bin_SCRIPTS=grid-config
 
-.PHONY: tests doxygen-run doxygen-doc $(DX_PS_GOAL) $(DX_PDF_GOAL)
+
+.PHONY: bench check tests doxygen-run doxygen-doc $(DX_PS_GOAL) $(DX_PDF_GOAL)
+
+tests-local: all
+bench-local: all
+check-local: all
 
 AM_CXXFLAGS += -I$(top_builddir)/include
+
 ACLOCAL_AMFLAGS = -I m4

README.md

@@ -1,41 +1,13 @@
-# Grid
-<table>
-<tr>
-    <td>Last stable release</td>
-    <td><a href="https://travis-ci.org/paboyle/Grid">
-    <img src="https://travis-ci.org/paboyle/Grid.svg?branch=master"></a>
-    </td>
-</tr>
-<tr>
-    <td>Development branch</td>
-    <td><a href="https://travis-ci.org/paboyle/Grid">
-    <img src="https://travis-ci.org/paboyle/Grid.svg?branch=develop"></a>
-    </td>
-</tr>
-</table>
+# Grid [![Teamcity status](http://ci.cliath.ph.ed.ac.uk/app/rest/builds/aggregated/strob:(buildType:(affectedProject(id:Grid)),branch:name:develop)/statusIcon.svg)](http://ci.cliath.ph.ed.ac.uk/project.html?projectId=Grid&tab=projectOverview) [![Travis status](https://travis-ci.org/paboyle/Grid.svg?branch=develop)](https://travis-ci.org/paboyle/Grid)
 
 **Data parallel C++ mathematical object library.**
 
 License: GPL v2.
 
-Last update Nov 2016.
+Last update June 2017.
 
 _Please do not send pull requests to the `master` branch which is reserved for releases._
 
-### Bug report
-
-_To help us tracking and solving more efficiently issues with Grid, please report problems using the issue system of GitHub rather than sending emails to Grid developers._
-
-When you file an issue, please go though the following checklist:
-
-1. Check that the code is pointing to the `HEAD` of `develop` or any commit in `master` which is tagged with a version number. 
-2. Give a description of the target platform (CPU, network, compiler). Please give the full CPU part description, using for example `cat /proc/cpuinfo | grep 'model name' | uniq` (Linux) or `sysctl machdep.cpu.brand_string` (macOS) and the full output the `--version` option of your compiler.
-3. Give the exact `configure` command used.
-4. Attach `config.log`.
-5. Attach `config.summary`.
-6. Attach the output of `make V=1`.
-7. Describe the issue and any previous attempt to solve it. If relevant, show how to reproduce the issue using a minimal working example.
-
 
 
 ### Description
@@ -58,13 +30,68 @@ optimally use MPI, OpenMP and SIMD parallelism under the hood. This is a signifi
 for most programmers.
 
 The layout transformations are parametrised by the SIMD vector length. This adapts according to the architecture.
-Presently SSE4 (128 bit) AVX, AVX2, QPX (256 bit), IMCI, and AVX512 (512 bit) targets are supported (ARM NEON on the way).
+Presently SSE4, ARM NEON (128 bits) AVX, AVX2, QPX (256 bits), IMCI and AVX512 (512 bits) targets are supported.
 
-These are presented as `vRealF`, `vRealD`, `vComplexF`, and `vComplexD` internal vector data types. These may be useful in themselves for other programmers.
+These are presented as `vRealF`, `vRealD`, `vComplexF`, and `vComplexD` internal vector data types. 
 The corresponding scalar types are named `RealF`, `RealD`, `ComplexF` and `ComplexD`.
 
 MPI, OpenMP, and SIMD parallelism are present in the library.
-Please see https://arxiv.org/abs/1512.03487 for more detail.
+Please see [this paper](https://arxiv.org/abs/1512.03487) for more detail.
+
+
+### Compilers
+
+Intel ICPC v16.0.3 and later
+
+Clang v3.5 and later (need 3.8 and later for OpenMP)
+
+GCC   v4.9.x (recommended)
+
+GCC   v6.3 and later
+
+### Important: 
+
+Some versions of GCC appear to have a bug under high optimisation (-O2, -O3).
+
+The safety of these compiler versions cannot be guaranteed at this time. Follow Issue 100 for details and updates.
+
+GCC   v5.x
+
+GCC   v6.1, v6.2
+
+### Bug report
+
+_To help us tracking and solving more efficiently issues with Grid, please report problems using the issue system of GitHub rather than sending emails to Grid developers._
+
+When you file an issue, please go though the following checklist:
+
+1. Check that the code is pointing to the `HEAD` of `develop` or any commit in `master` which is tagged with a version number. 
+2. Give a description of the target platform (CPU, network, compiler). Please give the full CPU part description, using for example `cat /proc/cpuinfo | grep 'model name' | uniq` (Linux) or `sysctl machdep.cpu.brand_string` (macOS) and the full output the `--version` option of your compiler.
+3. Give the exact `configure` command used.
+4. Attach `config.log`.
+5. Attach `grid.config.summary`.
+6. Attach the output of `make V=1`.
+7. Describe the issue and any previous attempt to solve it. If relevant, show how to reproduce the issue using a minimal working example.
+
+### Required libraries
+Grid requires:
+
+[GMP](https://gmplib.org/), 
+
+[MPFR](http://www.mpfr.org/) 
+
+Bootstrapping grid downloads and uses for internal dense matrix (non-QCD operations) the Eigen library.
+
+Grid optionally uses:
+
+[HDF5](https://support.hdfgroup.org/HDF5/)  
+
+[LIME](http://usqcd-software.github.io/c-lime/) for ILDG and SciDAC file format support. 
+
+[FFTW](http://www.fftw.org) either generic version or via the Intel MKL library.
+
+LAPACK either generic version or Intel MKL library.
+
 
 ### Quick start
 First, start by cloning the repository:
@@ -95,10 +122,10 @@ install Grid. Other options are detailed in the next section, you can also use `
 `CXX`, `CXXFLAGS`, `LDFLAGS`, ... environment variables can be modified to
 customise the build.
 
-Finally, you can build and install Grid:
+Finally, you can build, check, and install Grid:
 
 ``` bash
-make; make install
+make; make check; make install
 ```
 
 To minimise the build time, only the tests at the root of the `tests` directory are built by default. If you want to build tests in the sub-directory `<subdir>` you can execute:
@@ -121,7 +148,7 @@ If you want to build all the tests at once just use `make tests`.
 - `--enable-gen-simd-width=<size>`: select the size (in bytes) of the generic SIMD vector type (default: 32 bytes).
 - `--enable-precision={single|double}`: set the default precision (default: `double`).
 - `--enable-precision=<comm>`: Use `<comm>` for message passing (default: `none`). A list of possible SIMD targets is detailed in a section below.
-- `--enable-rng={ranlux48|mt19937}`: choose the RNG (default: `ranlux48 `).
+- `--enable-rng={sitmo|ranlux48|mt19937}`: choose the RNG (default: `sitmo `).
 - `--disable-timers`: disable system dependent high-resolution timers.
 - `--enable-chroma`: enable Chroma regression tests.
 - `--enable-doxygen-doc`: enable the Doxygen documentation generation (build with `make doxygen-doc`)
@@ -135,7 +162,6 @@ The following options can be use with the `--enable-comms=` option to target dif
 | `none`         | no communications                                             |
 | `mpi[-auto]`   | MPI communications                                            |
 | `mpi3[-auto]`  | MPI communications using MPI 3 shared memory                  |
-| `mpi3l[-auto]` | MPI communications using MPI 3 shared memory and leader model |
 | `shmem `       | Cray SHMEM communications                                     |
 
 For the MPI interfaces the optional `-auto` suffix instructs the `configure` scripts to determine all the necessary compilation and linking flags. This is done by extracting the informations from the MPI wrapper specified in the environment variable `MPICXX` (if not specified `configure` will scan though a list of default names). The `-auto` suffix is not supported by the Cray environment wrapper scripts. Use the standard versions instead.  
@@ -153,13 +179,13 @@ The following options can be use with the `--enable-simd=` option to target diff
 | `AVXFMA4`   | AVX (256 bit) + FMA4                   |
 | `AVX2`      | AVX 2 (256 bit)                        |
 | `AVX512`    | AVX 512 bit                            |
-| `QPX`       | QPX (256 bit)                          |
+| `NEONv8`    | [ARM NEON](http://infocenter.arm.com/help/index.jsp?topic=/com.arm.doc.den0024a/ch07s03.html) (128 bit)                     |
+| `QPX`       | IBM QPX (256 bit)                      |
 
 Alternatively, some CPU codenames can be directly used:
 
 | `<code>`    | Description                            |
 | ----------- | -------------------------------------- |
-| `KNC`       | [Intel Xeon Phi codename Knights Corner](http://ark.intel.com/products/codename/57721/Knights-Corner) |
 | `KNL`       | [Intel Xeon Phi codename Knights Landing](http://ark.intel.com/products/codename/48999/Knights-Landing) |
 | `BGQ`       | Blue Gene/Q                            |
 
@@ -176,21 +202,205 @@ The following configuration is recommended for the Intel Knights Landing platfor
 ``` bash
 ../configure --enable-precision=double\
              --enable-simd=KNL        \
-             --enable-comms=mpi-auto \
-             --with-gmp=<path>        \
-             --with-mpfr=<path>       \
+             --enable-comms=mpi-auto  \
              --enable-mkl             \
              CXX=icpc MPICXX=mpiicpc
 ```
+The MKL flag enables use of BLAS and FFTW from the Intel Math Kernels Library.
 
-where `<path>` is the UNIX prefix where GMP and MPFR are installed. If you are working on a Cray machine that does not use the `mpiicpc` wrapper, please use:
+If you are working on a Cray machine that does not use the `mpiicpc` wrapper, please use:
 
 ``` bash
 ../configure --enable-precision=double\
              --enable-simd=KNL        \
              --enable-comms=mpi       \
-             --with-gmp=<path>        \
-             --with-mpfr=<path>       \
              --enable-mkl             \
              CXX=CC CC=cc
-```
+```
+
+If gmp and mpfr are NOT in standard places (/usr/) these flags may be needed:
+``` bash
+               --with-gmp=<path>        \
+               --with-mpfr=<path>       \
+```
+where `<path>` is the UNIX prefix where GMP and MPFR are installed. 
+
+Knight's Landing with Intel Omnipath adapters with two adapters per node 
+presently performs better with use of more than one rank per node, using shared memory 
+for interior communication. This is the mpi3 communications implementation. 
+We recommend four ranks per node for best performance, but optimum is local volume dependent.
+
+``` bash
+../configure --enable-precision=double\
+             --enable-simd=KNL        \
+             --enable-comms=mpi3-auto \
+             --enable-mkl             \
+             CC=icpc MPICXX=mpiicpc 
+```
+
+### Build setup for Intel Haswell Xeon platform
+
+The following configuration is recommended for the Intel Haswell platform:
+
+``` bash
+../configure --enable-precision=double\
+             --enable-simd=AVX2       \
+             --enable-comms=mpi3-auto \
+             --enable-mkl             \
+             CXX=icpc MPICXX=mpiicpc
+```
+The MKL flag enables use of BLAS and FFTW from the Intel Math Kernels Library.
+
+If gmp and mpfr are NOT in standard places (/usr/) these flags may be needed:
+``` bash
+               --with-gmp=<path>        \
+               --with-mpfr=<path>       \
+```
+where `<path>` is the UNIX prefix where GMP and MPFR are installed. 
+
+If you are working on a Cray machine that does not use the `mpiicpc` wrapper, please use:
+
+``` bash
+../configure --enable-precision=double\
+             --enable-simd=AVX2       \
+             --enable-comms=mpi3      \
+             --enable-mkl             \
+             CXX=CC CC=cc
+```
+Since Dual socket nodes are commonplace, we recommend MPI-3 as the default with the use of 
+one rank per socket. If using the Intel MPI library, threads should be pinned to NUMA domains using
+```
+        export I_MPI_PIN=1
+```
+This is the default.
+
+### Build setup for Intel Skylake Xeon platform
+
+The following configuration is recommended for the Intel Skylake platform:
+
+``` bash
+../configure --enable-precision=double\
+             --enable-simd=AVX512     \
+             --enable-comms=mpi3      \
+             --enable-mkl             \
+             CXX=mpiicpc
+```
+The MKL flag enables use of BLAS and FFTW from the Intel Math Kernels Library.
+
+If gmp and mpfr are NOT in standard places (/usr/) these flags may be needed:
+``` bash
+               --with-gmp=<path>        \
+               --with-mpfr=<path>       \
+```
+where `<path>` is the UNIX prefix where GMP and MPFR are installed. 
+
+If you are working on a Cray machine that does not use the `mpiicpc` wrapper, please use:
+
+``` bash
+../configure --enable-precision=double\
+             --enable-simd=AVX512     \
+             --enable-comms=mpi3      \
+             --enable-mkl             \
+             CXX=CC CC=cc
+```
+Since Dual socket nodes are commonplace, we recommend MPI-3 as the default with the use of 
+one rank per socket. If using the Intel MPI library, threads should be pinned to NUMA domains using
+``` 
+        export I_MPI_PIN=1
+```
+This is the default. 
+
+#### Expected Skylake Gold 6148 dual socket (single prec, single node 20+20 cores) performance using NUMA MPI mapping): 
+
+mpirun -n 2 benchmarks/Benchmark_dwf --grid 16.16.16.16 --mpi 2.1.1.1 --cacheblocking 2.2.2.2 --dslash-asm --shm 1024 --threads 18 
+
+TBA
+
+
+### Build setup for AMD EPYC / RYZEN
+
+The AMD EPYC is a multichip module comprising 32 cores spread over four distinct chips each with 8 cores.
+So, even with a single socket node there is a quad-chip module. Dual socket nodes with 64 cores total
+are common. Each chip within the module exposes a separate NUMA domain.
+There are four NUMA domains per socket and we recommend one MPI rank per NUMA domain.
+MPI-3 is recommended with the use of four ranks per socket,
+and 8 threads per rank. 
+
+The following configuration is recommended for the AMD EPYC platform.
+
+``` bash
+../configure --enable-precision=double\
+             --enable-simd=AVX2       \
+             --enable-comms=mpi3 \
+             CXX=mpicxx 
+```
+
+If gmp and mpfr are NOT in standard places (/usr/) these flags may be needed:
+``` bash
+               --with-gmp=<path>        \
+               --with-mpfr=<path>       \
+```
+where `<path>` is the UNIX prefix where GMP and MPFR are installed. 
+
+Using MPICH and g++ v4.9.2, best performance can be obtained using explicit GOMP_CPU_AFFINITY flags for each MPI rank.
+This can be done by invoking MPI on a wrapper script omp_bind.sh to handle this. 
+
+It is recommended to run 8 MPI ranks on a single dual socket AMD EPYC, with 8 threads per rank using MPI3 and
+shared memory to communicate within this node:
+
+mpirun -np 8 ./omp_bind.sh ./Benchmark_dwf --mpi 2.2.2.1 --dslash-unroll --threads 8 --grid 16.16.16.16 --cacheblocking 4.4.4.4 
+
+Where omp_bind.sh does the following:
+```
+#!/bin/bash
+
+numanode=` expr $PMI_RANK % 8 `
+basecore=`expr $numanode \* 16`
+core0=`expr $basecore + 0 `
+core1=`expr $basecore + 2 `
+core2=`expr $basecore + 4 `
+core3=`expr $basecore + 6 `
+core4=`expr $basecore + 8 `
+core5=`expr $basecore + 10 `
+core6=`expr $basecore + 12 `
+core7=`expr $basecore + 14 `
+
+export GOMP_CPU_AFFINITY="$core0 $core1 $core2 $core3 $core4 $core5 $core6 $core7"
+echo GOMP_CUP_AFFINITY $GOMP_CPU_AFFINITY
+
+$@
+```
+
+Performance:
+
+#### Expected AMD EPYC 7601 dual socket (single prec, single node 32+32 cores) performance using NUMA MPI mapping): 
+
+mpirun  -np 8 ./omp_bind.sh ./Benchmark_dwf --threads 8 --mpi 2.2.2.1 --dslash-unroll --grid 16.16.16.16 --cacheblocking 4.4.4.4
+
+TBA
+
+### Build setup for BlueGene/Q
+
+To be written...
+
+### Build setup for ARM Neon
+
+To be written...
+
+### Build setup for laptops, other compilers, non-cluster builds
+
+Many versions of g++ and clang++ work with Grid, and involve merely replacing CXX (and MPICXX),
+and omit the enable-mkl flag. 
+
+Single node builds are enabled with 
+```
+            --enable-comms=none
+```
+
+FFTW support that is not in the default search path may then enabled with
+```
+    --with-fftw=<installpath>
+```
+
+BLAS will not be compiled in by default, and Lanczos will default to Eigen diagonalisation.
+

TODO

@@ -1,6 +1,35 @@
 TODO:
 ---------------
 
+Large item work list:
+
+1)- BG/Q port and check ; Andrew says ok.
+2)- Christoph's local basis expansion Lanczos
+--
+3a)- RNG I/O in ILDG/SciDAC (minor)
+3b)- Precision conversion and sort out localConvert      <-- partial/easy
+3c)- Consistent linear solver flop count/rate -- PARTIAL, time but no flop/s yet
+4)- Physical propagator interface
+5)- Conserved currents
+6)- Multigrid Wilson and DWF, compare to other Multigrid implementations
+7)- HDCR resume
+
+Recent DONE 
+-- MultiRHS with spread out extra dim -- Go through filesystem with SciDAC I/O ; <-- DONE ; bmark cori
+-- Lanczos Remove DenseVector, DenseMatrix; Use Eigen instead. <-- DONE
+-- GaugeFix into central location                      <-- DONE
+-- Scidac and Ildg metadata handling                   <-- DONE
+-- Binary I/O MPI2 IO                                  <-- DONE
+-- Binary I/O speed up & x-strips                      <-- DONE
+-- Cut down the exterior overhead                      <-- DONE
+-- Interior legs from SHM comms                        <-- DONE
+-- Half-precision comms                                <-- DONE
+-- Merge high precision reduction into develop         <-- DONE
+-- BlockCG, BCGrQ                                      <-- DONE
+-- multiRHS DWF; benchmark on Cori/BNL for comms elimination <-- DONE
+   -- slice* linalg routines for multiRHS, BlockCG    
+
+-----
 * Forces; the UdSdU  term in gauge force term is half of what I think it should
   be. This is a consequence of taking ONLY the first term in:
 
@@ -21,16 +50,8 @@ TODO:
   This means we must double the force in the Test_xxx_force routines, and is the origin of the factor of two.
   This 2x is applied by hand in the fermion routines and in the Test_rect_force routine.
 
-
-Policies:
-
-* Link smearing/boundary conds; Policy class based implementation ; framework more in place
-
 * Support different boundary conditions (finite temp, chem. potential ... )
 
-* Support different fermion representations? 
-  - contained entirely within the integrator presently
-
 - Sign of force term.
 
 - Reversibility test.
@@ -41,11 +62,6 @@ Policies:
 
 - Audit oIndex usage for cb behaviour
 
-- Rectangle gauge actions.
-  Iwasaki,
-  Symanzik,
-  ... etc...
-
 - Prepare multigrid for HMC. - Alternate setup schemes.
 
 - Support for ILDG --- ugly, not done
@@ -55,9 +71,11 @@ Policies:
 - FFTnD ?
 
 - Gparity; hand opt use template specialisation elegance to enable the optimised paths ?
+
 - Gparity force term; Gparity (R)HMC.
-- Random number state save restore
+
 - Mobius implementation clean up to rmove #if 0 stale code sequences
+
 - CG -- profile carefully, kernel fusion, whole CG performance measurements.
 
 ================================================================
@@ -90,6 +108,7 @@ Insert/Extract
 Not sure of status of this -- reverify. Things are working nicely now though.
 
 * Make the Tensor types and Complex etc... play more nicely.
+
   - TensorRemove is a hack, come up with a long term rationalised approach to Complex vs. Scalar<Scalar<Scalar<Complex > > >
     QDP forces use of "toDouble" to get back to non tensor scalar. This role is presently taken TensorRemove, but I
     want to introduce a syntax that does not require this.
@@ -112,6 +131,8 @@ Not sure of status of this -- reverify. Things are working nicely now though.
 RECENT
 ---------------
 
+  - Support different fermion representations? -- DONE
+  - contained entirely within the integrator presently
   - Clean up HMC                                                             -- DONE
   - LorentzScalar<GaugeField> gets Gauge link type (cleaner).                -- DONE
   - Simplified the integrators a bit.                                        -- DONE
@@ -123,6 +144,26 @@ RECENT
   - Parallel io improvements                                  -- DONE
   - Plaquette and link trace checks into nersc reader from the Grid_nersc_io.cc test. -- DONE
 
+
+DONE:
+- MultiArray -- MultiRHS done
+- ConjugateGradientMultiShift -- DONE
+- MCR                         -- DONE
+- Remez -- Mike or Boost?     -- DONE
+- Proto (ET)                  -- DONE
+- uBlas                       -- DONE ; Eigen
+- Potentially Useful Boost libraries -- DONE ; Eigen
+- Aligned allocator; memory pool -- DONE
+- Multiprecision              -- DONE
+- Serialization               -- DONE
+- Regex -- Not needed
+- Tokenize -- Why?
+
+- Random number state save restore -- DONE
+- Rectangle gauge actions. -- DONE
+  Iwasaki,
+  Symanzik,
+  ... etc...
 Done: Cayley, Partial , ContFrac force terms.
 
 DONE
@@ -207,6 +248,7 @@ Done
 FUNCTIONALITY: it pleases me to keep track of things I have done (keeps me arguably sane)
 ======================================================================================================
 
+* Link smearing/boundary conds; Policy class based implementation ; framework more in place -- DONE
 * Command line args for geometry, simd, etc. layout. Is it necessary to have -- DONE
   user pass these? Is this a QCD specific?
 

VERSION

@@ -1,6 +1,5 @@
-Version : 0.6.0
+Version : 0.7.0
 
-- AVX512, AVX2, AVX, SSE good
-- Clang 3.5 and above, ICPC v16 and above, GCC 4.9 and above
-- MPI and MPI3
-- HiRep, Smearing, Generic gauge group
+- Clang 3.5 and above, ICPC v16 and above, GCC 6.3 and above recommended
+- MPI and MPI3 comms optimisations for KNL and OPA finished
+- Half precision comms

benchmarks/Benchmark_ITT.cc

@@ -0,0 +1,800 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./benchmarks/Benchmark_memory_bandwidth.cc
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace std;
+using namespace Grid;
+using namespace Grid::QCD;
+
+typedef WilsonFermion5D<DomainWallVec5dImplR> WilsonFermion5DR;
+typedef WilsonFermion5D<DomainWallVec5dImplF> WilsonFermion5DF;
+typedef WilsonFermion5D<DomainWallVec5dImplD> WilsonFermion5DD;
+
+
+std::vector<int> L_list;
+std::vector<int> Ls_list;
+std::vector<double> mflop_list;
+
+double mflop_ref;
+double mflop_ref_err;
+
+int NN_global;
+
+struct time_statistics{
+  double mean;
+  double err;
+  double min;
+  double max;
+
+  void statistics(std::vector<double> v){
+      double sum = std::accumulate(v.begin(), v.end(), 0.0);
+      mean = sum / v.size();
+
+      std::vector<double> diff(v.size());
+      std::transform(v.begin(), v.end(), diff.begin(), [=](double x) { return x - mean; });
+      double sq_sum = std::inner_product(diff.begin(), diff.end(), diff.begin(), 0.0);
+      err = std::sqrt(sq_sum / (v.size()*(v.size() - 1)));
+
+      auto result = std::minmax_element(v.begin(), v.end());
+      min = *result.first;
+      max = *result.second;
+}
+};
+
+void comms_header(){
+  std::cout <<GridLogMessage << " L  "<<"\t"<<" Ls  "<<"\t"
+            <<std::setw(11)<<"bytes"<<"MB/s uni (err/min/max)"<<"\t\t"<<"MB/s bidi (err/min/max)"<<std::endl;
+};
+
+Gamma::Algebra Gmu [] = {
+  Gamma::Algebra::GammaX,
+  Gamma::Algebra::GammaY,
+  Gamma::Algebra::GammaZ,
+  Gamma::Algebra::GammaT
+};
+struct controls {
+  int Opt;
+  int CommsOverlap;
+  Grid::CartesianCommunicator::CommunicatorPolicy_t CommsAsynch;
+  //  int HugePages;
+};
+
+class Benchmark {
+public:
+  static void Decomposition (void ) {
+
+    int threads = GridThread::GetThreads();
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "= Grid is setup to use "<<threads<<" threads"<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage<<"Grid Default Decomposition patterns\n";
+    std::cout<<GridLogMessage<<"\tOpenMP threads : "<<GridThread::GetThreads()<<std::endl;
+    std::cout<<GridLogMessage<<"\tMPI tasks      : "<<GridCmdVectorIntToString(GridDefaultMpi())<<std::endl;
+    std::cout<<GridLogMessage<<"\tvReal          : "<<sizeof(vReal )*8    <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vReal::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage<<"\tvRealF         : "<<sizeof(vRealF)*8    <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vRealF::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage<<"\tvRealD         : "<<sizeof(vRealD)*8    <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vRealD::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage<<"\tvComplex       : "<<sizeof(vComplex )*8 <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vComplex::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage<<"\tvComplexF      : "<<sizeof(vComplexF)*8 <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vComplexF::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage<<"\tvComplexD      : "<<sizeof(vComplexD)*8 <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vComplexD::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+  }
+
+  static void Comms(void)
+  {
+    int Nloop=200;
+    int nmu=0;
+    int maxlat=32;
+
+    std::vector<int> simd_layout = GridDefaultSimd(Nd,vComplexD::Nsimd());
+    std::vector<int> mpi_layout  = GridDefaultMpi();
+
+    for(int mu=0;mu<Nd;mu++) if (mpi_layout[mu]>1) nmu++;
+
+    std::vector<double> t_time(Nloop);
+    time_statistics timestat;
+
+    std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "= Benchmarking threaded STENCIL halo exchange in "<<nmu<<" dimensions"<<std::endl;
+    std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+    comms_header();
+
+    for(int lat=4;lat<=maxlat;lat+=4){
+      for(int Ls=8;Ls<=8;Ls*=2){
+
+	std::vector<int> latt_size  ({lat*mpi_layout[0],
+	      lat*mpi_layout[1],
+	      lat*mpi_layout[2],
+	      lat*mpi_layout[3]});
+
+	GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
+	RealD Nrank = Grid._Nprocessors;
+	RealD Nnode = Grid.NodeCount();
+	RealD ppn = Nrank/Nnode;
+
+	std::vector<HalfSpinColourVectorD *> xbuf(8);
+	std::vector<HalfSpinColourVectorD *> rbuf(8);
+	Grid.ShmBufferFreeAll();
+	for(int d=0;d<8;d++){
+	  xbuf[d] = (HalfSpinColourVectorD *)Grid.ShmBufferMalloc(lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	  rbuf[d] = (HalfSpinColourVectorD *)Grid.ShmBufferMalloc(lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	  bzero((void *)xbuf[d],lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	  bzero((void *)rbuf[d],lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	}
+
+	int bytes=lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD);
+	int ncomm;
+	double dbytes;
+	std::vector<double> times(Nloop);
+	for(int i=0;i<Nloop;i++){
+
+	  double start=usecond();
+
+	  dbytes=0;
+	  ncomm=0;
+
+	  parallel_for(int dir=0;dir<8;dir++){
+
+	    double tbytes;
+	    int mu =dir % 4;
+
+	    if (mpi_layout[mu]>1 ) {
+	        
+	      int xmit_to_rank;
+	      int recv_from_rank;
+	      if ( dir == mu ) { 
+		int comm_proc=1;
+		Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
+	      } else { 
+		int comm_proc = mpi_layout[mu]-1;
+		Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
+	      }
+	      tbytes= Grid.StencilSendToRecvFrom((void *)&xbuf[dir][0], xmit_to_rank,
+						 (void *)&rbuf[dir][0], recv_from_rank,
+						 bytes,dir);
+	  
+#ifdef GRID_OMP
+#pragma omp atomic
+#endif
+	      ncomm++;
+
+#ifdef GRID_OMP
+#pragma omp atomic
+#endif
+	      dbytes+=tbytes;
+	    }
+	  }
+	  Grid.Barrier();
+	  double stop=usecond();
+	  t_time[i] = stop-start; // microseconds
+	}
+
+	timestat.statistics(t_time);
+	//	for(int i=0;i<t_time.size();i++){
+	//	  std::cout << i<<" "<<t_time[i]<<std::endl;
+	//	}
+
+	dbytes=dbytes*ppn;
+	double xbytes    = dbytes*0.5;
+	double rbytes    = dbytes*0.5;
+	double bidibytes = dbytes;
+
+	std::cout<<GridLogMessage << std::setw(4) << lat<<"\t"<<Ls<<"\t"
+		 <<std::setw(11) << bytes<< std::fixed << std::setprecision(1) << std::setw(7)
+		 <<std::right<< xbytes/timestat.mean<<"  "<< xbytes*timestat.err/(timestat.mean*timestat.mean)<< " "
+		 <<xbytes/timestat.max <<" "<< xbytes/timestat.min  
+		 << "\t\t"<<std::setw(7)<< bidibytes/timestat.mean<< "  " << bidibytes*timestat.err/(timestat.mean*timestat.mean) << " "
+		 << bidibytes/timestat.max << " " << bidibytes/timestat.min << std::endl;
+
+ 
+	
+	    }
+    }    
+
+    return;
+  }
+
+  static void Memory(void)
+  {
+    const int Nvec=8;
+    typedef Lattice< iVector< vReal,Nvec> > LatticeVec;
+    typedef iVector<vReal,Nvec> Vec;
+
+    std::vector<int> simd_layout = GridDefaultSimd(Nd,vReal::Nsimd());
+    std::vector<int> mpi_layout  = GridDefaultMpi();
+
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "= Benchmarking a*x + y bandwidth"<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s"<<"\t\t"<<"Gflop/s"<<"\t\t seconds"<< "\t\tGB/s / node"<<std::endl;
+    std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
+  
+    uint64_t NP;
+    uint64_t NN;
+
+
+  uint64_t lmax=48;
+#define NLOOP (100*lmax*lmax*lmax*lmax/lat/lat/lat/lat)
+
+    GridSerialRNG          sRNG;      sRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
+    for(int lat=8;lat<=lmax;lat+=4){
+
+      std::vector<int> latt_size  ({lat*mpi_layout[0],lat*mpi_layout[1],lat*mpi_layout[2],lat*mpi_layout[3]});
+      int64_t vol= latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
+      GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
+
+      NP= Grid.RankCount();
+      NN =Grid.NodeCount();
+
+      Vec rn ; random(sRNG,rn);
+
+      LatticeVec z(&Grid); z=rn;
+      LatticeVec x(&Grid); x=rn;
+      LatticeVec y(&Grid); y=rn;
+      double a=2.0;
+
+      uint64_t Nloop=NLOOP;
+
+      double start=usecond();
+      for(int i=0;i<Nloop;i++){
+	z=a*x-y;
+        x._odata[0]=z._odata[0]; // force serial dependency to prevent optimise away
+        y._odata[4]=z._odata[4];
+      }
+      double stop=usecond();
+      double time = (stop-start)/Nloop*1000;
+     
+      double flops=vol*Nvec*2;// mul,add
+      double bytes=3.0*vol*Nvec*sizeof(Real);
+      std::cout<<GridLogMessage<<std::setprecision(3) 
+	       << lat<<"\t\t"<<bytes<<"   \t\t"<<bytes/time<<"\t\t"<<flops/time<<"\t\t"<<(stop-start)/1000./1000.
+	       << "\t\t"<< bytes/time/NN <<std::endl;
+
+    }
+  };
+
+  static double DWF5(int Ls,int L)
+  {
+    RealD mass=0.1;
+    RealD M5  =1.8;
+
+    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();
+    std::vector<int> mpi = GridDefaultMpi(); assert(mpi.size()==4);
+    std::vector<int> local({L,L,L,L});
+
+    GridCartesian         * TmpGrid   = SpaceTimeGrid::makeFourDimGrid(std::vector<int>({64,64,64,64}), 
+								       GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
+    uint64_t NP = TmpGrid->RankCount();
+    uint64_t NN = TmpGrid->NodeCount();
+    NN_global=NN;
+    uint64_t SHM=NP/NN;
+
+    std::vector<int> internal;
+    if      ( SHM == 1 )   internal = std::vector<int>({1,1,1,1});
+    else if ( SHM == 2 )   internal = std::vector<int>({2,1,1,1});
+    else if ( SHM == 4 )   internal = std::vector<int>({2,2,1,1});
+    else if ( SHM == 8 )   internal = std::vector<int>({2,2,2,1});
+    else assert(0);
+
+    std::vector<int> nodes({mpi[0]/internal[0],mpi[1]/internal[1],mpi[2]/internal[2],mpi[3]/internal[3]});
+    std::vector<int> latt4({local[0]*nodes[0],local[1]*nodes[1],local[2]*nodes[2],local[3]*nodes[3]});
+
+    ///////// Welcome message ////////////
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "Benchmark DWF Ls vec on "<<L<<"^4 local volume "<<std::endl;
+    std::cout<<GridLogMessage << "* Global volume  : "<<GridCmdVectorIntToString(latt4)<<std::endl;
+    std::cout<<GridLogMessage << "* Ls             : "<<Ls<<std::endl;
+    std::cout<<GridLogMessage << "* MPI ranks      : "<<GridCmdVectorIntToString(mpi)<<std::endl;
+    std::cout<<GridLogMessage << "* Intranode      : "<<GridCmdVectorIntToString(internal)<<std::endl;
+    std::cout<<GridLogMessage << "* nodes          : "<<GridCmdVectorIntToString(nodes)<<std::endl;
+    std::cout<<GridLogMessage << "* Using "<<threads<<" threads"<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+    ///////// Lattice Init ////////////
+    GridCartesian         * UGrid    = SpaceTimeGrid::makeFourDimGrid(latt4, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
+    GridRedBlackCartesian * UrbGrid  = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
+    GridCartesian         * sUGrid   = SpaceTimeGrid::makeFourDimDWFGrid(latt4,GridDefaultMpi());
+    GridRedBlackCartesian * sUrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(sUGrid);
+    GridCartesian         * sFGrid   = SpaceTimeGrid::makeFiveDimDWFGrid(Ls,UGrid);
+    GridRedBlackCartesian * sFrbGrid = SpaceTimeGrid::makeFiveDimDWFRedBlackGrid(Ls,UGrid);
+
+    ///////// RNG Init ////////////
+    std::vector<int> seeds4({1,2,3,4});
+    std::vector<int> seeds5({5,6,7,8});
+    GridParallelRNG          RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
+    GridParallelRNG          RNG5(sFGrid);  RNG5.SeedFixedIntegers(seeds5);
+    std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
+
+    ///////// Source preparation ////////////
+    LatticeFermion src   (sFGrid); random(RNG5,src);
+    LatticeFermion tmp   (sFGrid);
+
+    RealD N2 = 1.0/::sqrt(norm2(src));
+    src = src*N2;
+    
+    LatticeGaugeField Umu(UGrid);  SU3::HotConfiguration(RNG4,Umu); 
+
+    WilsonFermion5DR sDw(Umu,*sFGrid,*sFrbGrid,*sUGrid,*sUrbGrid,M5);
+    LatticeFermion src_e (sFrbGrid);
+    LatticeFermion src_o (sFrbGrid);
+    LatticeFermion r_e   (sFrbGrid);
+    LatticeFermion r_o   (sFrbGrid);
+    LatticeFermion r_eo  (sFGrid);
+    LatticeFermion err   (sFGrid);
+    {
+
+      pickCheckerboard(Even,src_e,src);
+      pickCheckerboard(Odd,src_o,src);
+
+#if defined(AVX512) 
+      const int num_cases = 6;
+      std::string fmt("A/S ; A/O ; U/S ; U/O ; G/S ; G/O ");
+#else
+      const int num_cases = 4;
+      std::string fmt("U/S ; U/O ; G/S ; G/O ");
+#endif
+      controls Cases [] = {
+#ifdef AVX512
+	{ QCD::WilsonKernelsStatic::OptInlineAsm , QCD::WilsonKernelsStatic::CommsThenCompute ,CartesianCommunicator::CommunicatorPolicySequential  },
+	{ QCD::WilsonKernelsStatic::OptInlineAsm , QCD::WilsonKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicySequential  },
+#endif
+	{ QCD::WilsonKernelsStatic::OptHandUnroll, QCD::WilsonKernelsStatic::CommsThenCompute ,CartesianCommunicator::CommunicatorPolicySequential  },
+	{ QCD::WilsonKernelsStatic::OptHandUnroll, QCD::WilsonKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicySequential  },
+	{ QCD::WilsonKernelsStatic::OptGeneric   , QCD::WilsonKernelsStatic::CommsThenCompute ,CartesianCommunicator::CommunicatorPolicySequential  },
+	{ QCD::WilsonKernelsStatic::OptGeneric   , QCD::WilsonKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicySequential  }
+      }; 
+
+      for(int c=0;c<num_cases;c++) {
+
+	QCD::WilsonKernelsStatic::Comms = Cases[c].CommsOverlap;
+	QCD::WilsonKernelsStatic::Opt   = Cases[c].Opt;
+	CartesianCommunicator::SetCommunicatorPolicy(Cases[c].CommsAsynch);
+
+	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+	if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using GENERIC Nc WilsonKernels" <<std::endl;
+	if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptHandUnroll) std::cout << GridLogMessage<< "* Using Nc=3       WilsonKernels" <<std::endl;
+	if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
+	if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) std::cout << GridLogMessage<< "* Using Overlapped Comms/Compute" <<std::endl;
+	if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute) std::cout << GridLogMessage<< "* Using sequential comms compute" <<std::endl;
+	if ( sizeof(Real)==4 )   std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
+	if ( sizeof(Real)==8 )   std::cout << GridLogMessage<< "* DOUBLE precision "<<std::endl;
+	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+	int nwarm = 100;
+	uint64_t ncall = 1000;
+
+	double t0=usecond();
+	sFGrid->Barrier();
+	for(int i=0;i<nwarm;i++){
+	  sDw.DhopEO(src_o,r_e,DaggerNo);
+	}
+	sFGrid->Barrier();
+	double t1=usecond();
+
+	sDw.ZeroCounters();
+	time_statistics timestat;
+	std::vector<double> t_time(ncall);
+	for(uint64_t i=0;i<ncall;i++){
+	  t0=usecond();
+	  sDw.DhopEO(src_o,r_e,DaggerNo);
+	  t1=usecond();
+	  t_time[i] = t1-t0;
+	}
+	sFGrid->Barrier();
+	
+	double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
+	double flops=(1344.0*volume)/2;
+	double mf_hi, mf_lo, mf_err;
+
+	timestat.statistics(t_time);
+	mf_hi = flops/timestat.min;
+	mf_lo = flops/timestat.max;
+	mf_err= flops/timestat.min * timestat.err/timestat.mean;
+
+	mflops = flops/timestat.mean;
+	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)<<"sDeo mflop/s =   "<< mflops << " ("<<mf_err<<") " << mf_lo<<"-"<<mf_hi <<std::endl;
+	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"sDeo mflop/s per rank   "<< mflops/NP<<std::endl;
+	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"sDeo mflop/s per node   "<< mflops/NN<<std::endl;
+
+	sDw.Report();
+
+      }
+      double robust = mflops_worst/mflops_best;;
+      std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+      std::cout<<GridLogMessage << L<<"^4 x "<<Ls<< " sDeo Best  mflop/s        =   "<< mflops_best << " ; " << mflops_best/NN<<" per node " <<std::endl;
+      std::cout<<GridLogMessage << L<<"^4 x "<<Ls<< " sDeo Worst mflop/s        =   "<< mflops_worst<< " ; " << mflops_worst/NN<<" per node " <<std::endl;
+
+      std::cout<<GridLogMessage <<std::setprecision(3)<< L<<"^4 x "<<Ls<< " Performance Robustness   =   "<< robust <<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 DWF(int Ls,int L, double & robust)
+  {
+    RealD mass=0.1;
+    RealD M5  =1.8;
+
+    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();
+    std::vector<int> mpi = GridDefaultMpi(); assert(mpi.size()==4);
+    std::vector<int> local({L,L,L,L});
+
+    GridCartesian         * TmpGrid   = SpaceTimeGrid::makeFourDimGrid(std::vector<int>({64,64,64,64}), 
+								       GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
+    uint64_t NP = TmpGrid->RankCount();
+    uint64_t NN = TmpGrid->NodeCount();
+    NN_global=NN;
+    uint64_t SHM=NP/NN;
+
+    std::vector<int> internal;
+    if      ( SHM == 1 )   internal = std::vector<int>({1,1,1,1});
+    else if ( SHM == 2 )   internal = std::vector<int>({2,1,1,1});
+    else if ( SHM == 4 )   internal = std::vector<int>({2,2,1,1});
+    else if ( SHM == 8 )   internal = std::vector<int>({2,2,2,1});
+    else assert(0);
+
+    std::vector<int> nodes({mpi[0]/internal[0],mpi[1]/internal[1],mpi[2]/internal[2],mpi[3]/internal[3]});
+    std::vector<int> latt4({local[0]*nodes[0],local[1]*nodes[1],local[2]*nodes[2],local[3]*nodes[3]});
+
+    ///////// Welcome message ////////////
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "Benchmark DWF on "<<L<<"^4 local volume "<<std::endl;
+    std::cout<<GridLogMessage << "* Global volume  : "<<GridCmdVectorIntToString(latt4)<<std::endl;
+    std::cout<<GridLogMessage << "* Ls             : "<<Ls<<std::endl;
+    std::cout<<GridLogMessage << "* MPI ranks      : "<<GridCmdVectorIntToString(mpi)<<std::endl;
+    std::cout<<GridLogMessage << "* Intranode      : "<<GridCmdVectorIntToString(internal)<<std::endl;
+    std::cout<<GridLogMessage << "* nodes          : "<<GridCmdVectorIntToString(nodes)<<std::endl;
+    std::cout<<GridLogMessage << "* Using "<<threads<<" threads"<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+
+    ///////// Lattice Init ////////////
+    GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(latt4, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
+    GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
+    GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
+    GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
+
+    
+    ///////// RNG Init ////////////
+    std::vector<int> seeds4({1,2,3,4});
+    std::vector<int> seeds5({5,6,7,8});
+    GridParallelRNG          RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
+    GridParallelRNG          RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
+    std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
+
+    ///////// Source preparation ////////////
+    LatticeFermion src   (FGrid); random(RNG5,src);
+    LatticeFermion ref   (FGrid);
+    LatticeFermion tmp   (FGrid);
+
+    RealD N2 = 1.0/::sqrt(norm2(src));
+    src = src*N2;
+    
+    LatticeGaugeField Umu(UGrid);  SU3::HotConfiguration(RNG4,Umu); 
+
+    DomainWallFermionR Dw(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+
+    ////////////////////////////////////
+    // Naive wilson implementation
+    ////////////////////////////////////
+    {
+      LatticeGaugeField Umu5d(FGrid); 
+      std::vector<LatticeColourMatrix> U(4,FGrid);
+      for(int ss=0;ss<Umu._grid->oSites();ss++){
+	for(int s=0;s<Ls;s++){
+	  Umu5d._odata[Ls*ss+s] = Umu._odata[ss];
+	}
+      }
+      ref = zero;
+      for(int mu=0;mu<Nd;mu++){
+	U[mu] = PeekIndex<LorentzIndex>(Umu5d,mu);
+      }
+      for(int mu=0;mu<Nd;mu++){
+	
+	tmp = U[mu]*Cshift(src,mu+1,1);
+	ref=ref + tmp - Gamma(Gmu[mu])*tmp;
+	
+	tmp =adj(U[mu])*src;
+	tmp =Cshift(tmp,mu+1,-1);
+	ref=ref + tmp + Gamma(Gmu[mu])*tmp;
+      }
+      ref = -0.5*ref;
+    }
+
+    LatticeFermion src_e (FrbGrid);
+    LatticeFermion src_o (FrbGrid);
+    LatticeFermion r_e   (FrbGrid);
+    LatticeFermion r_o   (FrbGrid);
+    LatticeFermion r_eo  (FGrid);
+    LatticeFermion err   (FGrid);
+    {
+
+      pickCheckerboard(Even,src_e,src);
+      pickCheckerboard(Odd,src_o,src);
+
+#if defined(AVX512) 
+      const int num_cases = 6;
+      std::string fmt("A/S ; A/O ; U/S ; U/O ; G/S ; G/O ");
+#else
+      const int num_cases = 4;
+      std::string fmt("U/S ; U/O ; G/S ; G/O ");
+#endif
+      controls Cases [] = {
+#ifdef AVX512
+	{ QCD::WilsonKernelsStatic::OptInlineAsm , QCD::WilsonKernelsStatic::CommsThenCompute ,CartesianCommunicator::CommunicatorPolicySequential  },
+	{ QCD::WilsonKernelsStatic::OptInlineAsm , QCD::WilsonKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicySequential  },
+#endif
+	{ QCD::WilsonKernelsStatic::OptHandUnroll, QCD::WilsonKernelsStatic::CommsThenCompute ,CartesianCommunicator::CommunicatorPolicySequential  },
+	{ QCD::WilsonKernelsStatic::OptHandUnroll, QCD::WilsonKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicySequential  },
+	{ QCD::WilsonKernelsStatic::OptGeneric   , QCD::WilsonKernelsStatic::CommsThenCompute ,CartesianCommunicator::CommunicatorPolicySequential  },
+	{ QCD::WilsonKernelsStatic::OptGeneric   , QCD::WilsonKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicySequential  }
+      }; 
+
+      for(int c=0;c<num_cases;c++) {
+
+	QCD::WilsonKernelsStatic::Comms = Cases[c].CommsOverlap;
+	QCD::WilsonKernelsStatic::Opt   = Cases[c].Opt;
+	CartesianCommunicator::SetCommunicatorPolicy(Cases[c].CommsAsynch);
+
+	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+	if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using GENERIC Nc WilsonKernels" <<std::endl;
+	if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptHandUnroll) std::cout << GridLogMessage<< "* Using Nc=3       WilsonKernels" <<std::endl;
+	if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
+	if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) std::cout << GridLogMessage<< "* Using Overlapped Comms/Compute" <<std::endl;
+	if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute) std::cout << GridLogMessage<< "* Using sequential comms compute" <<std::endl;
+	if ( sizeof(Real)==4 )   std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
+	if ( sizeof(Real)==8 )   std::cout << GridLogMessage<< "* DOUBLE precision "<<std::endl;
+	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+	int nwarm = 200;
+	double t0=usecond();
+	FGrid->Barrier();
+	for(int i=0;i<nwarm;i++){
+	  Dw.DhopEO(src_o,r_e,DaggerNo);
+	}
+	FGrid->Barrier();
+	double t1=usecond();
+	//	uint64_t ncall = (uint64_t) 2.5*1000.0*1000.0*nwarm/(t1-t0);
+	//	if (ncall < 500) ncall = 500;
+	uint64_t ncall = 1000;
+
+	FGrid->Broadcast(0,&ncall,sizeof(ncall));
+
+	//	std::cout << GridLogMessage << " Estimate " << ncall << " calls per second"<<std::endl;
+	Dw.ZeroCounters();
+
+	time_statistics timestat;
+	std::vector<double> t_time(ncall);
+	for(uint64_t i=0;i<ncall;i++){
+	  t0=usecond();
+	  Dw.DhopEO(src_o,r_e,DaggerNo);
+	  t1=usecond();
+	  t_time[i] = t1-t0;
+	}
+	FGrid->Barrier();
+	
+	double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
+	double flops=(1344.0*volume)/2;
+	double mf_hi, mf_lo, mf_err;
+
+	timestat.statistics(t_time);
+	mf_hi = flops/timestat.min;
+	mf_lo = flops/timestat.max;
+	mf_err= flops/timestat.min * timestat.err/timestat.mean;
+
+	mflops = flops/timestat.mean;
+	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;
+
+	Dw.Report();
+
+	Dw.DhopEO(src_o,r_e,DaggerNo);
+	Dw.DhopOE(src_e,r_o,DaggerNo);
+	setCheckerboard(r_eo,r_o);
+	setCheckerboard(r_eo,r_e);
+	err = r_eo-ref; 
+	std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<<std::endl;
+	assert((norm2(err)<1.0e-4));
+
+      }
+      robust = mflops_worst/mflops_best;
+      std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+      std::cout<<GridLogMessage << L<<"^4 x "<<Ls<< " Deo Best  mflop/s        =   "<< mflops_best << " ; " << mflops_best/NN<<" per node " <<std::endl;
+      std::cout<<GridLogMessage << L<<"^4 x "<<Ls<< " Deo Worst mflop/s        =   "<< mflops_worst<< " ; " << mflops_worst/NN<<" per node " <<std::endl;
+      std::cout<<GridLogMessage << std::fixed<<std::setprecision(3)<< L<<"^4 x "<<Ls<< " Performance Robustness   =   "<< robust  <<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;
+  }
+
+};
+
+int main (int argc, char ** argv)
+{
+  Grid_init(&argc,&argv);
+
+  CartesianCommunicator::SetCommunicatorPolicy(CartesianCommunicator::CommunicatorPolicySequential);
+#ifdef KNL
+  LebesgueOrder::Block = std::vector<int>({8,2,2,2});
+#else
+  LebesgueOrder::Block = std::vector<int>({2,2,2,2});
+#endif
+  Benchmark::Decomposition();
+
+  int do_memory=1;
+  int do_comms =1;
+  int do_su3   =0;
+  int do_wilson=1;
+  int do_dwf   =1;
+
+  if ( do_su3 ) {
+    // empty for now
+  }
+#if 1
+  int sel=2;
+  std::vector<int> L_list({8,12,16,24});
+#else
+  int sel=1;
+  std::vector<int> L_list({8,12});
+#endif
+  int selm1=sel-1;
+  std::vector<double> robust_list;
+
+  std::vector<double> wilson;
+  std::vector<double> dwf4;
+  std::vector<double> dwf5;
+
+  if ( do_wilson ) {
+    int Ls=1;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " Wilson dslash 4D vectorised" <<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    for(int l=0;l<L_list.size();l++){
+      double robust;
+      wilson.push_back(Benchmark::DWF(1,L_list[l],robust));
+    }
+  }
+
+  int Ls=16;
+  if ( do_dwf ) {
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " Domain wall dslash 4D vectorised" <<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    for(int l=0;l<L_list.size();l++){
+      double robust;
+      double result = Benchmark::DWF(Ls,L_list[l],robust) ;
+      dwf4.push_back(result);
+      robust_list.push_back(robust);
+    }
+  }
+
+  if ( do_dwf ) {
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " Domain wall dslash 4D vectorised" <<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    for(int l=0;l<L_list.size();l++){
+      dwf5.push_back(Benchmark::DWF5(Ls,L_list[l]));
+    }
+
+  }
+
+  if ( do_dwf ) {
+
+  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 Wilson \t DWF4 \t DWF5 " <<std::endl;
+  for(int l=0;l<L_list.size();l++){
+    std::cout<<GridLogMessage << L_list[l] <<" \t\t "<< wilson[l]<<" \t "<<dwf4[l]<<" \t "<<dwf5[l] <<std::endl;
+  }
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+  }
+
+  int NN=NN_global;
+  if ( do_memory ) {
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " Memory benchmark " <<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    Benchmark::Memory();
+  }
+
+  if ( do_comms && (NN>1) ) {
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " Communications benchmark " <<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    Benchmark::Comms();
+  }
+
+  if ( do_dwf ) {
+  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 Wilson\t\t DWF4  \t\t DWF5 " <<std::endl;
+  for(int l=0;l<L_list.size();l++){
+    std::cout<<GridLogMessage << L_list[l] <<" \t\t "<< wilson[l]/NN<<" \t "<<dwf4[l]/NN<<" \t "<<dwf5[l] /NN<<std::endl;
+  }
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << " Comparison point     result: "  << 0.5*(dwf4[sel]+dwf4[selm1])/NN << " Mflop/s per node"<<std::endl;
+  std::cout<<GridLogMessage << " Comparison point is 0.5*("<<dwf4[sel]/NN<<"+"<<dwf4[selm1]/NN << ") "<<std::endl;
+  std::cout<<std::setprecision(3);
+  std::cout<<GridLogMessage << " Comparison point robustness: "  << robust_list[sel] <<std::endl;
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+  }
+
+
+  Grid_finalize();
+}

benchmarks/Benchmark_comms.cc

@@ -31,6 +31,32 @@ using namespace std;
 using namespace Grid;
 using namespace Grid::QCD;
 
+struct time_statistics{
+  double mean;
+  double err;
+  double min;
+  double max;
+
+  void statistics(std::vector<double> v){
+      double sum = std::accumulate(v.begin(), v.end(), 0.0);
+      mean = sum / v.size();
+
+      std::vector<double> diff(v.size());
+      std::transform(v.begin(), v.end(), diff.begin(), [=](double x) { return x - mean; });
+      double sq_sum = std::inner_product(diff.begin(), diff.end(), diff.begin(), 0.0);
+      err = std::sqrt(sq_sum / (v.size()*(v.size() - 1)));
+
+      auto result = std::minmax_element(v.begin(), v.end());
+      min = *result.first;
+      max = *result.second;
+}
+};
+
+void header(){
+  std::cout <<GridLogMessage << " L  "<<"\t"<<" Ls  "<<"\t"
+            <<std::setw(11)<<"bytes"<<"MB/s uni (err/min/max)"<<"\t\t"<<"MB/s bidi (err/min/max)"<<std::endl;
+};
+
 int main (int argc, char ** argv)
 {
   Grid_init(&argc,&argv);
@@ -40,17 +66,21 @@ int main (int argc, char ** argv)
   int threads = GridThread::GetThreads();
   std::cout<<GridLogMessage << "Grid is setup to use "<<threads<<" threads"<<std::endl;
 
-  int Nloop=10;
+  int Nloop=100;
   int nmu=0;
+  int maxlat=32;
   for(int mu=0;mu<Nd;mu++) if (mpi_layout[mu]>1) nmu++;
 
+  std::cout << GridLogMessage << "Number of iterations to average: "<< Nloop << std::endl;
+  std::vector<double> t_time(Nloop);
+  time_statistics timestat;
+
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
   std::cout<<GridLogMessage << "= Benchmarking concurrent halo exchange in "<<nmu<<" dimensions"<<std::endl;
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
-  std::cout<<GridLogMessage << "  L  "<<"\t\t"<<" Ls  "<<"\t\t"<<"bytes"<<"\t\t"<<"MB/s uni"<<"\t\t"<<"MB/s bidi"<<std::endl;
-  int maxlat=16;
-  for(int lat=4;lat<=maxlat;lat+=2){
-    for(int Ls=1;Ls<=16;Ls*=2){
+  header();
+  for(int lat=4;lat<=maxlat;lat+=4){
+    for(int Ls=8;Ls<=8;Ls*=2){
 
       std::vector<int> latt_size  ({lat*mpi_layout[0],
       				    lat*mpi_layout[1],
@@ -58,15 +88,23 @@ int main (int argc, char ** argv)
       				    lat*mpi_layout[3]});
 
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
+      RealD Nrank = Grid._Nprocessors;
+      RealD Nnode = Grid.NodeCount();
+      RealD ppn = Nrank/Nnode;
 
-      std::vector<std::vector<HalfSpinColourVectorD> > xbuf(8,std::vector<HalfSpinColourVectorD>(lat*lat*lat*Ls));
-      std::vector<std::vector<HalfSpinColourVectorD> > rbuf(8,std::vector<HalfSpinColourVectorD>(lat*lat*lat*Ls));
+      std::vector<Vector<HalfSpinColourVectorD> > xbuf(8);	
+      std::vector<Vector<HalfSpinColourVectorD> > rbuf(8);
 
       int ncomm;
       int bytes=lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD);
+      for(int mu=0;mu<8;mu++){
+	xbuf[mu].resize(lat*lat*lat*Ls);
+	rbuf[mu].resize(lat*lat*lat*Ls);
+	//	std::cout << " buffers " << std::hex << (uint64_t)&xbuf[mu][0] <<" " << (uint64_t)&rbuf[mu][0] <<std::endl;
+      }
 
-      double start=usecond();
       for(int i=0;i<Nloop;i++){
+      double start=usecond();
 
 	std::vector<CartesianCommunicator::CommsRequest_t> requests;
 
@@ -79,7 +117,6 @@ int main (int argc, char ** argv)
 	    int comm_proc=1;
 	    int xmit_to_rank;
 	    int recv_from_rank;
-	    
 	    Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
 	    Grid.SendToRecvFromBegin(requests,
 				   (void *)&xbuf[mu][0],
@@ -102,18 +139,24 @@ int main (int argc, char ** argv)
 	}
 	Grid.SendToRecvFromComplete(requests);
 	Grid.Barrier();
-
+	double stop=usecond();
+	t_time[i] = stop-start; // microseconds
       }
-      double stop=usecond();
 
-      double dbytes    = bytes;
-      double xbytes    = Nloop*dbytes*2.0*ncomm;
+      timestat.statistics(t_time);
+
+      double dbytes    = bytes*ppn;
+      double xbytes    = dbytes*2.0*ncomm;
       double rbytes    = xbytes;
       double bidibytes = xbytes+rbytes;
 
-      double time = stop-start; // microseconds
+      std::cout<<GridLogMessage << std::setw(4) << lat<<"\t"<<Ls<<"\t"
+               <<std::setw(11) << bytes<< std::fixed << std::setprecision(1) << std::setw(7)
+               <<std::right<< xbytes/timestat.mean<<"  "<< xbytes*timestat.err/(timestat.mean*timestat.mean)<< " "
+               <<xbytes/timestat.max <<" "<< xbytes/timestat.min  
+               << "\t\t"<<std::setw(7)<< bidibytes/timestat.mean<< "  " << bidibytes*timestat.err/(timestat.mean*timestat.mean) << " "
+               << bidibytes/timestat.max << " " << bidibytes/timestat.min << std::endl;
 
-      std::cout<<GridLogMessage << lat<<"\t\t"<<Ls<<"\t\t"<<bytes<<"\t\t"<<xbytes/time<<"\t\t"<<bidibytes/time<<std::endl;
     }
   }    
 
@@ -121,25 +164,32 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
   std::cout<<GridLogMessage << "= Benchmarking sequential halo exchange in "<<nmu<<" dimensions"<<std::endl;
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
-  std::cout<<GridLogMessage << "  L  "<<"\t\t"<<" Ls  "<<"\t\t"<<"bytes"<<"\t\t"<<"MB/s uni"<<"\t\t"<<"MB/s bidi"<<std::endl;
+  header();
 
-
-  for(int lat=4;lat<=maxlat;lat+=2){
-    for(int Ls=1;Ls<=16;Ls*=2){
+  for(int lat=4;lat<=maxlat;lat+=4){
+    for(int Ls=8;Ls<=8;Ls*=2){
 
       std::vector<int> latt_size  ({lat,lat,lat,lat});
 
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
+      RealD Nrank = Grid._Nprocessors;
+      RealD Nnode = Grid.NodeCount();
+      RealD ppn = Nrank/Nnode;
 
-      std::vector<std::vector<HalfSpinColourVectorD> > xbuf(8,std::vector<HalfSpinColourVectorD>(lat*lat*lat*Ls));
-      std::vector<std::vector<HalfSpinColourVectorD> > rbuf(8,std::vector<HalfSpinColourVectorD>(lat*lat*lat*Ls));
+      std::vector<Vector<HalfSpinColourVectorD> > xbuf(8);
+      std::vector<Vector<HalfSpinColourVectorD> > rbuf(8);
 
+      for(int mu=0;mu<8;mu++){
+	xbuf[mu].resize(lat*lat*lat*Ls);
+	rbuf[mu].resize(lat*lat*lat*Ls);
+	//	std::cout << " buffers " << std::hex << (uint64_t)&xbuf[mu][0] <<" " << (uint64_t)&rbuf[mu][0] <<std::endl;
+      }
 
       int ncomm;
       int bytes=lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD);
 
-      double start=usecond();
       for(int i=0;i<Nloop;i++){
+      double start=usecond();
     
 	ncomm=0;
 	for(int mu=0;mu<4;mu++){
@@ -178,30 +228,37 @@ int main (int argc, char ** argv)
 	  }
 	}
 	Grid.Barrier();
+	double stop=usecond();
+	t_time[i] = stop-start; // microseconds
+
       }
 
-      double stop=usecond();
+      timestat.statistics(t_time);
       
-      double dbytes    = bytes;
-      double xbytes    = Nloop*dbytes*2.0*ncomm;
+      double dbytes    = bytes*ppn;
+      double xbytes    = dbytes*2.0*ncomm;
       double rbytes    = xbytes;
       double bidibytes = xbytes+rbytes;
 
-      double time = stop-start;
+    std::cout<<GridLogMessage << std::setw(4) << lat<<"\t"<<Ls<<"\t"
+               <<std::setw(11) << bytes<< std::fixed << std::setprecision(1) << std::setw(7)
+               <<std::right<< xbytes/timestat.mean<<"  "<< xbytes*timestat.err/(timestat.mean*timestat.mean)<< " "
+               <<xbytes/timestat.max <<" "<< xbytes/timestat.min  
+               << "\t\t"<<std::setw(7)<< bidibytes/timestat.mean<< "  " << bidibytes*timestat.err/(timestat.mean*timestat.mean) << " "
+               << bidibytes/timestat.max << " " << bidibytes/timestat.min << std::endl;
 
-      std::cout<<GridLogMessage << lat<<"\t\t"<<Ls<<"\t\t"<<bytes<<"\t\t"<<xbytes/time<<"\t\t"<<bidibytes/time<<std::endl;
+      
     }
   }  
 
 
-  Nloop=100;
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
   std::cout<<GridLogMessage << "= Benchmarking concurrent STENCIL halo exchange in "<<nmu<<" dimensions"<<std::endl;
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
-  std::cout<<GridLogMessage << "  L  "<<"\t\t"<<" Ls  "<<"\t\t"<<"bytes"<<"\t\t"<<"MB/s uni"<<"\t\t"<<"MB/s bidi"<<std::endl;
+  header();
 
-  for(int lat=4;lat<=maxlat;lat+=2){
-    for(int Ls=1;Ls<=16;Ls*=2){
+  for(int lat=4;lat<=maxlat;lat+=4){
+    for(int Ls=8;Ls<=8;Ls*=2){
 
       std::vector<int> latt_size  ({lat*mpi_layout[0],
       				    lat*mpi_layout[1],
@@ -209,6 +266,9 @@ int main (int argc, char ** argv)
       				    lat*mpi_layout[3]});
 
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
+      RealD Nrank = Grid._Nprocessors;
+      RealD Nnode = Grid.NodeCount();
+      RealD ppn = Nrank/Nnode;
 
       std::vector<HalfSpinColourVectorD *> xbuf(8);
       std::vector<HalfSpinColourVectorD *> rbuf(8);
@@ -216,73 +276,86 @@ int main (int argc, char ** argv)
       for(int d=0;d<8;d++){
 	xbuf[d] = (HalfSpinColourVectorD *)Grid.ShmBufferMalloc(lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
 	rbuf[d] = (HalfSpinColourVectorD *)Grid.ShmBufferMalloc(lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	bzero((void *)xbuf[d],lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	bzero((void *)rbuf[d],lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
       }
 
       int ncomm;
       int bytes=lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD);
 
-      double start=usecond();
+      double dbytes;
       for(int i=0;i<Nloop;i++){
+	double start=usecond();
+
+	dbytes=0;
+	ncomm=0;
 
 	std::vector<CartesianCommunicator::CommsRequest_t> requests;
 
-	ncomm=0;
 	for(int mu=0;mu<4;mu++){
 	
+
 	  if (mpi_layout[mu]>1 ) {
 	  
 	    ncomm++;
 	    int comm_proc=1;
 	    int xmit_to_rank;
 	    int recv_from_rank;
-	    
 	    Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
-	    Grid.StencilSendToRecvFromBegin(requests,
-					    (void *)&xbuf[mu][0],
-					    xmit_to_rank,
-					    (void *)&rbuf[mu][0],
-					    recv_from_rank,
-					    bytes);
+	    dbytes+=
+	      Grid.StencilSendToRecvFromBegin(requests,
+					      (void *)&xbuf[mu][0],
+					      xmit_to_rank,
+					      (void *)&rbuf[mu][0],
+					      recv_from_rank,
+					      bytes,mu);
 	
 	    comm_proc = mpi_layout[mu]-1;
 	  
 	    Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
-	    Grid.StencilSendToRecvFromBegin(requests,
-					    (void *)&xbuf[mu+4][0],
-					    xmit_to_rank,
-					    (void *)&rbuf[mu+4][0],
-					    recv_from_rank,
-					    bytes);
+	    dbytes+=
+	      Grid.StencilSendToRecvFromBegin(requests,
+					      (void *)&xbuf[mu+4][0],
+					      xmit_to_rank,
+					      (void *)&rbuf[mu+4][0],
+					      recv_from_rank,
+					      bytes,mu+4);
 	  
 	  }
 	}
-	Grid.StencilSendToRecvFromComplete(requests);
+	Grid.StencilSendToRecvFromComplete(requests,0);
 	Grid.Barrier();
-
+	double stop=usecond();
+	t_time[i] = stop-start; // microseconds
+	
       }
-      double stop=usecond();
 
-      double dbytes    = bytes;
-      double xbytes    = Nloop*dbytes*2.0*ncomm;
-      double rbytes    = xbytes;
-      double bidibytes = xbytes+rbytes;
+      timestat.statistics(t_time);
+
+      dbytes=dbytes*ppn;
+      double xbytes    = dbytes*0.5;
+      double rbytes    = dbytes*0.5;
+      double bidibytes = dbytes;
+
+      std::cout<<GridLogMessage << std::setw(4) << lat<<"\t"<<Ls<<"\t"
+               <<std::setw(11) << bytes<< std::fixed << std::setprecision(1) << std::setw(7)
+               <<std::right<< xbytes/timestat.mean<<"  "<< xbytes*timestat.err/(timestat.mean*timestat.mean)<< " "
+               <<xbytes/timestat.max <<" "<< xbytes/timestat.min  
+               << "\t\t"<<std::setw(7)<< bidibytes/timestat.mean<< "  " << bidibytes*timestat.err/(timestat.mean*timestat.mean) << " "
+               << bidibytes/timestat.max << " " << bidibytes/timestat.min << std::endl;
 
-      double time = stop-start; // microseconds
 
-      std::cout<<GridLogMessage << lat<<"\t\t"<<Ls<<"\t\t"<<bytes<<"\t\t"<<xbytes/time<<"\t\t"<<bidibytes/time<<std::endl;
     }
   }    
 
 
-
-  Nloop=100;
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
   std::cout<<GridLogMessage << "= Benchmarking sequential STENCIL halo exchange in "<<nmu<<" dimensions"<<std::endl;
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
-  std::cout<<GridLogMessage << "  L  "<<"\t\t"<<" Ls  "<<"\t\t"<<"bytes"<<"\t\t"<<"MB/s uni"<<"\t\t"<<"MB/s bidi"<<std::endl;
+  header();
 
-  for(int lat=4;lat<=maxlat;lat+=2){
-    for(int Ls=1;Ls<=16;Ls*=2){
+  for(int lat=4;lat<=maxlat;lat+=4){
+    for(int Ls=8;Ls<=8;Ls*=2){
 
       std::vector<int> latt_size  ({lat*mpi_layout[0],
       				    lat*mpi_layout[1],
@@ -290,6 +363,9 @@ int main (int argc, char ** argv)
       				    lat*mpi_layout[3]});
 
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
+      RealD Nrank = Grid._Nprocessors;
+      RealD Nnode = Grid.NodeCount();
+      RealD ppn = Nrank/Nnode;
 
       std::vector<HalfSpinColourVectorD *> xbuf(8);
       std::vector<HalfSpinColourVectorD *> rbuf(8);
@@ -297,16 +373,18 @@ int main (int argc, char ** argv)
       for(int d=0;d<8;d++){
 	xbuf[d] = (HalfSpinColourVectorD *)Grid.ShmBufferMalloc(lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
 	rbuf[d] = (HalfSpinColourVectorD *)Grid.ShmBufferMalloc(lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	bzero((void *)xbuf[d],lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	bzero((void *)rbuf[d],lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
       }
 
       int ncomm;
       int bytes=lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD);
-
-      double start=usecond();
+      double dbytes;
       for(int i=0;i<Nloop;i++){
+	double start=usecond();
 
 	std::vector<CartesianCommunicator::CommsRequest_t> requests;
-
+	dbytes=0;
 	ncomm=0;
 	for(int mu=0;mu<4;mu++){
 	
@@ -318,44 +396,146 @@ int main (int argc, char ** argv)
 	    int recv_from_rank;
 	    
 	    Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
-	    Grid.StencilSendToRecvFromBegin(requests,
-					    (void *)&xbuf[mu][0],
-					    xmit_to_rank,
-					    (void *)&rbuf[mu][0],
-					    recv_from_rank,
-					    bytes);
-	    //	    Grid.StencilSendToRecvFromComplete(requests);
-	    //	    requests.resize(0);
+	    dbytes+=
+	      Grid.StencilSendToRecvFromBegin(requests,
+					      (void *)&xbuf[mu][0],
+					      xmit_to_rank,
+					      (void *)&rbuf[mu][0],
+					      recv_from_rank,
+					      bytes,mu);
+	    Grid.StencilSendToRecvFromComplete(requests,mu);
+	    requests.resize(0);
 
 	    comm_proc = mpi_layout[mu]-1;
 	  
 	    Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
-	    Grid.StencilSendToRecvFromBegin(requests,
-					    (void *)&xbuf[mu+4][0],
-					    xmit_to_rank,
-					    (void *)&rbuf[mu+4][0],
-					    recv_from_rank,
-					    bytes);
-	    Grid.StencilSendToRecvFromComplete(requests);
+	    dbytes+=
+	      Grid.StencilSendToRecvFromBegin(requests,
+					      (void *)&xbuf[mu+4][0],
+					      xmit_to_rank,
+					      (void *)&rbuf[mu+4][0],
+					      recv_from_rank,
+					      bytes,mu+4);
+	    Grid.StencilSendToRecvFromComplete(requests,mu+4);
 	    requests.resize(0);
 	  
 	  }
 	}
 	Grid.Barrier();
-
+	double stop=usecond();
+	t_time[i] = stop-start; // microseconds
+	
       }
-      double stop=usecond();
 
-      double dbytes    = bytes;
-      double xbytes    = Nloop*dbytes*2.0*ncomm;
-      double rbytes    = xbytes;
-      double bidibytes = xbytes+rbytes;
+      timestat.statistics(t_time);
 
-      double time = stop-start; // microseconds
+      dbytes=dbytes*ppn;
+      double xbytes    = dbytes*0.5;
+      double rbytes    = dbytes*0.5;
+      double bidibytes = dbytes;
 
-      std::cout<<GridLogMessage << lat<<"\t\t"<<Ls<<"\t\t"<<bytes<<"\t\t"<<xbytes/time<<"\t\t"<<bidibytes/time<<std::endl;
+
+      std::cout<<GridLogMessage << std::setw(4) << lat<<"\t"<<Ls<<"\t"
+               <<std::setw(11) << bytes<< std::fixed << std::setprecision(1) << std::setw(7)
+               <<std::right<< xbytes/timestat.mean<<"  "<< xbytes*timestat.err/(timestat.mean*timestat.mean)<< " "
+               <<xbytes/timestat.max <<" "<< xbytes/timestat.min  
+               << "\t\t"<<std::setw(7)<< bidibytes/timestat.mean<< "  " << bidibytes*timestat.err/(timestat.mean*timestat.mean) << " "
+               << bidibytes/timestat.max << " " << bidibytes/timestat.min << std::endl;
+ 
     }
   }    
 
+
+
+  std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << "= Benchmarking threaded STENCIL halo exchange in "<<nmu<<" dimensions"<<std::endl;
+  std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+  header();
+
+  for(int lat=4;lat<=maxlat;lat+=4){
+    for(int Ls=8;Ls<=8;Ls*=2){
+
+      std::vector<int> latt_size  ({lat*mpi_layout[0],
+      				    lat*mpi_layout[1],
+      				    lat*mpi_layout[2],
+      				    lat*mpi_layout[3]});
+
+      GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
+      RealD Nrank = Grid._Nprocessors;
+      RealD Nnode = Grid.NodeCount();
+      RealD ppn = Nrank/Nnode;
+
+      std::vector<HalfSpinColourVectorD *> xbuf(8);
+      std::vector<HalfSpinColourVectorD *> rbuf(8);
+      Grid.ShmBufferFreeAll();
+      for(int d=0;d<8;d++){
+	xbuf[d] = (HalfSpinColourVectorD *)Grid.ShmBufferMalloc(lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	rbuf[d] = (HalfSpinColourVectorD *)Grid.ShmBufferMalloc(lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	bzero((void *)xbuf[d],lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	bzero((void *)rbuf[d],lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+      }
+
+      int ncomm;
+      int bytes=lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD);
+      double dbytes;
+      for(int i=0;i<Nloop;i++){
+	double start=usecond();
+
+	std::vector<CartesianCommunicator::CommsRequest_t> requests;
+	dbytes=0;
+	ncomm=0;
+
+	parallel_for(int dir=0;dir<8;dir++){
+
+	  double tbytes;
+	  int mu =dir % 4;
+
+	  if (mpi_layout[mu]>1 ) {
+	  
+	    ncomm++;
+	    int xmit_to_rank;
+	    int recv_from_rank;
+	    if ( dir == mu ) { 
+	      int comm_proc=1;
+	      Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
+	    } else { 
+	      int comm_proc = mpi_layout[mu]-1;
+	      Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
+	    }
+
+	    tbytes= Grid.StencilSendToRecvFrom((void *)&xbuf[dir][0], xmit_to_rank,
+					       (void *)&rbuf[dir][0], recv_from_rank, bytes,dir);
+
+#pragma omp atomic
+	    dbytes+=tbytes;
+	  }
+	}
+	Grid.Barrier();
+	double stop=usecond();
+	t_time[i] = stop-start; // microseconds
+      }
+
+      timestat.statistics(t_time);
+
+      dbytes=dbytes*ppn;
+      double xbytes    = dbytes*0.5;
+      double rbytes    = dbytes*0.5;
+      double bidibytes = dbytes;
+
+
+      std::cout<<GridLogMessage << std::setw(4) << lat<<"\t"<<Ls<<"\t"
+               <<std::setw(11) << bytes<< std::fixed << std::setprecision(1) << std::setw(7)
+               <<std::right<< xbytes/timestat.mean<<"  "<< xbytes*timestat.err/(timestat.mean*timestat.mean)<< " "
+               <<xbytes/timestat.max <<" "<< xbytes/timestat.min  
+               << "\t\t"<<std::setw(7)<< bidibytes/timestat.mean<< "  " << bidibytes*timestat.err/(timestat.mean*timestat.mean) << " "
+               << bidibytes/timestat.max << " " << bidibytes/timestat.min << std::endl;
+ 
+    }
+  }    
+
+  std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << "= All done; Bye Bye"<<std::endl;
+  std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+
   Grid_finalize();
 }

benchmarks/Benchmark_dwf.cc

@@ -1,28 +1,22 @@
-    /*************************************************************************************
-
+ /*************************************************************************************
     Grid physics library, www.github.com/paboyle/Grid 
-
     Source file: ./benchmarks/Benchmark_dwf.cc
-
     Copyright (C) 2015
 
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: paboyle <paboyle@ph.ed.ac.uk>
+    Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+    Author: paboyle <paboyle@ph.ed.ac.uk>
 
     This program is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
     the Free Software Foundation; either version 2 of the License, or
     (at your option) any later version.
-
     This program is distributed in the hope that it will be useful,
     but WITHOUT ANY WARRANTY; without even the implied warranty of
     MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     GNU General Public License for more details.
-
     You should have received a copy of the GNU General Public License along
     with this program; if not, write to the Free Software Foundation, Inc.,
     51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
@@ -48,16 +42,22 @@ typedef WilsonFermion5D<DomainWallVec5dImplR> WilsonFermion5DR;
 typedef WilsonFermion5D<DomainWallVec5dImplF> WilsonFermion5DF;
 typedef WilsonFermion5D<DomainWallVec5dImplD> WilsonFermion5DD;
 
-
 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;
 
   std::vector<int> latt4 = GridDefaultLatt();
-  const int Ls=8;
+  int Ls=16;
+  for(int i=0;i<argc;i++)
+    if(std::string(argv[i]) == "-Ls"){
+      std::stringstream ss(argv[i+1]); ss >> Ls;
+    }
+
+
   GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
   GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
   GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
@@ -71,35 +71,66 @@ int main (int argc, char ** argv)
 
   std::vector<int> seeds4({1,2,3,4});
   std::vector<int> seeds5({5,6,7,8});
-
+  
+  std::cout << GridLogMessage << "Initialising 4d RNG" << std::endl;
   GridParallelRNG          RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
+  std::cout << GridLogMessage << "Initialising 5d RNG" << std::endl;
   GridParallelRNG          RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
+  std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
 
   LatticeFermion src   (FGrid); random(RNG5,src);
+#if 0
+  src = zero;
+  {
+    std::vector<int> origin({0,0,0,latt4[2]-1,0});
+    SpinColourVectorF tmp;
+    tmp=zero;
+    tmp()(0)(0)=Complex(-2.0,0.0);
+    std::cout << " source site 0 " << tmp<<std::endl;
+    pokeSite(tmp,src,origin);
+  }
+#else
+  RealD N2 = 1.0/::sqrt(norm2(src));
+  src = src*N2;
+#endif
+
+
   LatticeFermion result(FGrid); result=zero;
   LatticeFermion    ref(FGrid);    ref=zero;
   LatticeFermion    tmp(FGrid);
   LatticeFermion    err(FGrid);
 
+  std::cout << GridLogMessage << "Drawing gauge field" << std::endl;
   LatticeGaugeField Umu(UGrid); 
-  random(RNG4,Umu);
-
-  LatticeGaugeField Umu5d(FGrid); 
+  SU3::HotConfiguration(RNG4,Umu); 
+  std::cout << GridLogMessage << "Random gauge initialised " << std::endl;
+#if 0
+  Umu=1.0;
+  for(int mu=0;mu<Nd;mu++){
+    LatticeColourMatrix ttmp(UGrid);
+    ttmp = PeekIndex<LorentzIndex>(Umu,mu);
+    //    if (mu !=2 ) ttmp = 0;
+    //    ttmp = ttmp* pow(10.0,mu);
+    PokeIndex<LorentzIndex>(Umu,ttmp,mu);
+  }
+  std::cout << GridLogMessage << "Forced to diagonal " << std::endl;
+#endif
 
+  ////////////////////////////////////
+  // Naive wilson implementation
+  ////////////////////////////////////
   // replicate across fifth dimension
+  LatticeGaugeField Umu5d(FGrid); 
+  std::vector<LatticeColourMatrix> U(4,FGrid);
   for(int ss=0;ss<Umu._grid->oSites();ss++){
     for(int s=0;s<Ls;s++){
       Umu5d._odata[Ls*ss+s] = Umu._odata[ss];
     }
   }
-
-  ////////////////////////////////////
-  // Naive wilson implementation
-  ////////////////////////////////////
-  std::vector<LatticeColourMatrix> U(4,FGrid);
   for(int mu=0;mu<Nd;mu++){
     U[mu] = PeekIndex<LorentzIndex>(Umu5d,mu);
   }
+  std::cout << GridLogMessage << "Setting up Cshift based reference " << std::endl;
 
   if (1)
   {
@@ -120,8 +151,7 @@ int main (int argc, char ** argv)
   RealD M5  =1.8;
 
   RealD NP = UGrid->_Nprocessors;
-
-  DomainWallFermionR Dw(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+  RealD NN = UGrid->NodeCount();
 
   std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
   std::cout << GridLogMessage<< "* Kernel options --dslash-generic, --dslash-unroll, --dslash-asm" <<std::endl;
@@ -131,15 +161,22 @@ int main (int argc, char ** argv)
   std::cout << GridLogMessage<< "* Vectorising space-time by "<<vComplex::Nsimd()<<std::endl;
   if ( sizeof(Real)==4 )   std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
   if ( sizeof(Real)==8 )   std::cout << GridLogMessage<< "* DOUBLE precision "<<std::endl;
+#ifdef GRID_OMP
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) std::cout << GridLogMessage<< "* Using Overlapped Comms/Compute" <<std::endl;
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute) std::cout << GridLogMessage<< "* Using sequential comms compute" <<std::endl;
+#endif
   if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using GENERIC Nc WilsonKernels" <<std::endl;
   if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptHandUnroll) std::cout << GridLogMessage<< "* Using Nc=3       WilsonKernels" <<std::endl;
   if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
   std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
 
-  int ncall =100;
+  DomainWallFermionR Dw(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+  int ncall =500;
   if (1) {
     FGrid->Barrier();
     Dw.ZeroCounters();
+    Dw.Dhop(src,result,0);
+    std::cout<<GridLogMessage<<"Called warmup"<<std::endl;
     double t0=usecond();
     for(int i=0;i<ncall;i++){
       __SSC_START;
@@ -153,16 +190,55 @@ int main (int argc, char ** argv)
     double flops=1344*volume*ncall;
 
     std::cout<<GridLogMessage << "Called Dw "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
-    std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
-    std::cout<<GridLogMessage << "norm ref    "<< norm2(ref)<<std::endl;
+    //    std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
+    //    std::cout<<GridLogMessage << "norm ref    "<< norm2(ref)<<std::endl;
     std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;
     std::cout<<GridLogMessage << "mflop/s per rank =  "<< flops/(t1-t0)/NP<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s per node =  "<< flops/(t1-t0)/NN<<std::endl;
     err = ref-result; 
     std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<<std::endl;
+
+    /*
+    if(( norm2(err)>1.0e-4) ) { 
+      std::cout << "RESULT\n " << result<<std::endl;
+      std::cout << "REF   \n " << ref   <<std::endl;
+      std::cout << "ERR   \n " << err   <<std::endl;
+      FGrid->Barrier();
+      exit(-1);
+    }
+    */
     assert (norm2(err)< 1.0e-4 );
     Dw.Report();
   }
 
+  DomainWallFermionRL DwH(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+  if (1) {
+    FGrid->Barrier();
+    DwH.ZeroCounters();
+    DwH.Dhop(src,result,0);
+    double t0=usecond();
+    for(int i=0;i<ncall;i++){
+      __SSC_START;
+      DwH.Dhop(src,result,0);
+      __SSC_STOP;
+    }
+    double t1=usecond();
+    FGrid->Barrier();
+    
+    double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
+    double flops=1344*volume*ncall;
+
+    std::cout<<GridLogMessage << "Called half prec comms Dw "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s per rank =  "<< flops/(t1-t0)/NP<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s per node =  "<< flops/(t1-t0)/NN<<std::endl;
+    err = ref-result; 
+    std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<<std::endl;
+
+    assert (norm2(err)< 1.0e-3 );
+    DwH.Report();
+  }
+
   if (1)
   {
 
@@ -171,6 +247,10 @@ int main (int argc, char ** argv)
     std::cout << GridLogMessage<< "* Vectorising fifth dimension by "<<vComplex::Nsimd()<<std::endl;
     if ( sizeof(Real)==4 )   std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
     if ( sizeof(Real)==8 )   std::cout << GridLogMessage<< "* DOUBLE precision "<<std::endl;
+#ifdef GRID_OMP
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) std::cout << GridLogMessage<< "* Using Overlapped Comms/Compute" <<std::endl;
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute) std::cout << GridLogMessage<< "* Using sequential comms compute" <<std::endl;
+#endif
     if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using GENERIC Nc WilsonKernels" <<std::endl;
     if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptHandUnroll) std::cout << GridLogMessage<< "* Using Nc=3       WilsonKernels" <<std::endl;
     if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
@@ -182,21 +262,13 @@ int main (int argc, char ** argv)
     LatticeFermion sresult(sFGrid);
 
     WilsonFermion5DR sDw(Umu,*sFGrid,*sFrbGrid,*sUGrid,*sUrbGrid,M5);
-  
-    for(int x=0;x<latt4[0];x++){
-    for(int y=0;y<latt4[1];y++){
-    for(int z=0;z<latt4[2];z++){
-    for(int t=0;t<latt4[3];t++){
-    for(int s=0;s<Ls;s++){
-      std::vector<int> site({s,x,y,z,t});
-      SpinColourVector tmp;
-      peekSite(tmp,src,site);
-      pokeSite(tmp,ssrc,site);
-    }}}}}
+
+    localConvert(src,ssrc);
     std::cout<<GridLogMessage<< "src norms "<< norm2(src)<<" " <<norm2(ssrc)<<std::endl;
     FGrid->Barrier();
-    double t0=usecond();
+    sDw.Dhop(ssrc,sresult,0);
     sDw.ZeroCounters();
+    double t0=usecond();
     for(int i=0;i<ncall;i++){
       __SSC_START;
       sDw.Dhop(ssrc,sresult,0);
@@ -210,46 +282,53 @@ int main (int argc, char ** argv)
     std::cout<<GridLogMessage << "Called Dw s_inner "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
     std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;
     std::cout<<GridLogMessage << "mflop/s per rank =  "<< flops/(t1-t0)/NP<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s per node =  "<< flops/(t1-t0)/NN<<std::endl;
+    //    std::cout<<GridLogMessage<< "res norms "<< norm2(result)<<" " <<norm2(sresult)<<std::endl;
     sDw.Report();
-  
-    if(0){
-      for(int i=0;i< PerformanceCounter::NumTypes(); i++ ){
-	sDw.Dhop(ssrc,sresult,0);
-	PerformanceCounter Counter(i);
-	Counter.Start();
-	sDw.Dhop(ssrc,sresult,0);
-	Counter.Stop();
-	Counter.Report();
-      }
-    }
-
-    std::cout<<GridLogMessage<< "res norms "<< norm2(result)<<" " <<norm2(sresult)<<std::endl;
-
     RealD sum=0;
-    for(int x=0;x<latt4[0];x++){
-    for(int y=0;y<latt4[1];y++){
-    for(int z=0;z<latt4[2];z++){
-    for(int t=0;t<latt4[3];t++){
-    for(int s=0;s<Ls;s++){
-      std::vector<int> site({s,x,y,z,t});
-      SpinColourVector normal, simd;
-      peekSite(normal,result,site);
-      peekSite(simd,sresult,site);
-      sum=sum+norm2(normal-simd);
-      if (norm2(normal-simd) > 1.0e-6 ) {
-	std::cout << "site "<<x<<","<<y<<","<<z<<","<<t<<","<<s<<" "<<norm2(normal-simd)<<std::endl;
-	std::cout << "site "<<x<<","<<y<<","<<z<<","<<t<<","<<s<<" normal "<<normal<<std::endl;
-	std::cout << "site "<<x<<","<<y<<","<<z<<","<<t<<","<<s<<" simd   "<<simd<<std::endl;
-      }
-    }}}}}
-    std::cout<<GridLogMessage<<" difference between normal and simd is "<<sum<<std::endl;
-    assert (sum< 1.0e-4 );
 
+    err=zero;
+    localConvert(sresult,err);
+    err = err - ref;
+    sum = norm2(err);
+    std::cout<<GridLogMessage<<" difference between normal ref and simd is "<<sum<<std::endl;
+    if(sum > 1.0e-4 ){
+      std::cout<< "sD REF\n " <<ref << std::endl;
+      std::cout<< "sD ERR   \n " <<err  <<std::endl;
+    }
+    //    assert(sum < 1.0e-4);
 
-    if (1) {
+    err=zero;
+    localConvert(sresult,err);
+    err = err - result;
+    sum = norm2(err);
+    std::cout<<GridLogMessage<<" difference between normal result and simd is "<<sum<<std::endl;
+    if(sum > 1.0e-4 ){
+      std::cout<< "sD REF\n " <<result << std::endl;
+      std::cout<< "sD ERR   \n " << err  <<std::endl;
+    }
+    assert(sum < 1.0e-4);
+
+    
+    if(1){
+      std::cout << GridLogMessage<< "*********************************************************" <<std::endl;
+      std::cout << GridLogMessage<< "* Benchmarking WilsonFermion5D<DomainWallVec5dImplR>::DhopEO "<<std::endl;
+      std::cout << GridLogMessage<< "* Vectorising fifth dimension by "<<vComplex::Nsimd()<<std::endl;
+      if ( sizeof(Real)==4 )   std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
+      if ( sizeof(Real)==8 )   std::cout << GridLogMessage<< "* DOUBLE precision "<<std::endl;
+#ifdef GRID_OMP
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) std::cout << GridLogMessage<< "* Using Overlapped Comms/Compute" <<std::endl;
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute) std::cout << GridLogMessage<< "* Using sequential comms compute" <<std::endl;
+#endif
+      if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptGeneric   ) 
+	std::cout << GridLogMessage<< "* Using GENERIC Nc WilsonKernels" <<std::endl;
+      if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptHandUnroll) 
+	std::cout << GridLogMessage<< "* Using Nc=3       WilsonKernels" <<std::endl;
+      if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) 
+	std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
+      std::cout << GridLogMessage<< "*********************************************************" <<std::endl;
 
       LatticeFermion sr_eo(sFGrid);
-
       LatticeFermion ssrc_e (sFrbGrid);
       LatticeFermion ssrc_o (sFrbGrid);
       LatticeFermion sr_e   (sFrbGrid);
@@ -257,39 +336,30 @@ int main (int argc, char ** argv)
 
       pickCheckerboard(Even,ssrc_e,ssrc);
       pickCheckerboard(Odd,ssrc_o,ssrc);
-
-      setCheckerboard(sr_eo,ssrc_o);
-      setCheckerboard(sr_eo,ssrc_e);
+      //      setCheckerboard(sr_eo,ssrc_o);
+      //      setCheckerboard(sr_eo,ssrc_e);
 
       sr_e = zero;
       sr_o = zero;
 
-      std::cout << GridLogMessage<< "*********************************************************" <<std::endl;
-      std::cout << GridLogMessage<< "* Benchmarking WilsonFermion5D<DomainWallVec5dImplR>::DhopEO "<<std::endl;
-      std::cout << GridLogMessage<< "* Vectorising fifth dimension by "<<vComplex::Nsimd()<<std::endl;
-      if ( sizeof(Real)==4 )   std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
-      if ( sizeof(Real)==8 )   std::cout << GridLogMessage<< "* DOUBLE precision "<<std::endl;
-      if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using GENERIC Nc WilsonKernels" <<std::endl;
-      if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptHandUnroll) std::cout << GridLogMessage<< "* Using Nc=3       WilsonKernels" <<std::endl;
-      if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
-      std::cout << GridLogMessage<< "*********************************************************" <<std::endl;
-
       FGrid->Barrier();
+      sDw.DhopEO(ssrc_o, sr_e, DaggerNo);
       sDw.ZeroCounters();
-      sDw.stat.init("DhopEO");
+      //      sDw.stat.init("DhopEO");
       double t0=usecond();
       for (int i = 0; i < ncall; i++) {
         sDw.DhopEO(ssrc_o, sr_e, DaggerNo);
       }
       double t1=usecond();
       FGrid->Barrier();
-      sDw.stat.print();
+      //      sDw.stat.print();
 
       double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
       double flops=(1344.0*volume*ncall)/2;
 
       std::cout<<GridLogMessage << "sDeo mflop/s =   "<< flops/(t1-t0)<<std::endl;
       std::cout<<GridLogMessage << "sDeo mflop/s per rank   "<< flops/(t1-t0)/NP<<std::endl;
+      std::cout<<GridLogMessage << "sDeo mflop/s per node   "<< flops/(t1-t0)/NN<<std::endl;
       sDw.Report();
 
       sDw.DhopEO(ssrc_o,sr_e,DaggerNo);
@@ -298,24 +368,43 @@ int main (int argc, char ** argv)
 
       pickCheckerboard(Even,ssrc_e,sresult);
       pickCheckerboard(Odd ,ssrc_o,sresult);
+
       ssrc_e = ssrc_e - sr_e;
       RealD error = norm2(ssrc_e);
-
       std::cout<<GridLogMessage << "sE norm diff   "<< norm2(ssrc_e)<< "  vec nrm"<<norm2(sr_e) <<std::endl;
-      ssrc_o = ssrc_o - sr_o;
 
+      ssrc_o = ssrc_o - sr_o;
       error+= norm2(ssrc_o);
       std::cout<<GridLogMessage << "sO norm diff   "<< norm2(ssrc_o)<< "  vec nrm"<<norm2(sr_o) <<std::endl;
-      if(error>1.0e-4) { 
+
+      if(( error>1.0e-4) ) { 
 	setCheckerboard(ssrc,ssrc_o);
 	setCheckerboard(ssrc,ssrc_e);
-	std::cout<< ssrc << std::endl;
+	std::cout<< "DIFF\n " <<ssrc << std::endl;
+	setCheckerboard(ssrc,sr_o);
+	setCheckerboard(ssrc,sr_e);
+	std::cout<< "CBRESULT\n " <<ssrc << std::endl;
+	std::cout<< "RESULT\n " <<sresult<< std::endl;
       }
+      assert(error<1.0e-4);
     }
 
+  if(0){
+    std::cout << "Single cache warm call to sDw.Dhop " <<std::endl;
+    for(int i=0;i< PerformanceCounter::NumTypes(); i++ ){
+      sDw.Dhop(ssrc,sresult,0);
+      PerformanceCounter Counter(i);
+      Counter.Start();
+      sDw.Dhop(ssrc,sresult,0);
+      Counter.Stop();
+      Counter.Report();
+    }
+  }
 
   }
 
+
+
   if (1)
   { // Naive wilson dag implementation
     ref = zero;
@@ -324,25 +413,30 @@ int main (int argc, char ** argv)
       //    ref =  src - Gamma(Gamma::Algebra::GammaX)* src ; // 1+gamma_x
       tmp = U[mu]*Cshift(src,mu+1,1);
       for(int i=0;i<ref._odata.size();i++){
-  ref._odata[i]+= tmp._odata[i] + Gamma(Gmu[mu])*tmp._odata[i]; ;
+	ref._odata[i]+= tmp._odata[i] + Gamma(Gmu[mu])*tmp._odata[i]; ;
       }
 
       tmp =adj(U[mu])*src;
       tmp =Cshift(tmp,mu+1,-1);
       for(int i=0;i<ref._odata.size();i++){
-  ref._odata[i]+= tmp._odata[i] - Gamma(Gmu[mu])*tmp._odata[i]; ;
+	ref._odata[i]+= tmp._odata[i] - Gamma(Gmu[mu])*tmp._odata[i]; ;
       }
     }
     ref = -0.5*ref;
   }
+  //  dump=1;
   Dw.Dhop(src,result,1);
   std::cout << GridLogMessage << "Compare to naive wilson implementation Dag to verify correctness" << std::endl;
   std::cout<<GridLogMessage << "Called DwDag"<<std::endl;
-  std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
-  std::cout<<GridLogMessage << "norm ref    "<< norm2(ref)<<std::endl;
+  std::cout<<GridLogMessage << "norm dag result "<< norm2(result)<<std::endl;
+  std::cout<<GridLogMessage << "norm dag ref    "<< norm2(ref)<<std::endl;
   err = ref-result; 
-  std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<<std::endl;
-  assert(norm2(err)<1.0e-4);
+  std::cout<<GridLogMessage << "norm dag diff   "<< norm2(err)<<std::endl;
+  if((norm2(err)>1.0e-4)){
+	std::cout<< "DAG RESULT\n "  <<ref     << std::endl;
+	std::cout<< "DAG sRESULT\n " <<result  << std::endl;
+	std::cout<< "DAG ERR   \n "  << err    <<std::endl;
+  }
   LatticeFermion src_e (FrbGrid);
   LatticeFermion src_o (FrbGrid);
   LatticeFermion r_e   (FrbGrid);
@@ -350,18 +444,24 @@ int main (int argc, char ** argv)
   LatticeFermion r_eo  (FGrid);
 
 
-  std::cout<<GridLogMessage << "Calling Deo and Doe and assert Deo+Doe == Dunprec"<<std::endl;
+  std::cout<<GridLogMessage << "Calling Deo and Doe and //assert Deo+Doe == Dunprec"<<std::endl;
   pickCheckerboard(Even,src_e,src);
   pickCheckerboard(Odd,src_o,src);
 
   std::cout<<GridLogMessage << "src_e"<<norm2(src_e)<<std::endl;
   std::cout<<GridLogMessage << "src_o"<<norm2(src_o)<<std::endl;
 
+
+  // S-direction is INNERMOST and takes no part in the parity.
   std::cout << GridLogMessage<< "*********************************************************" <<std::endl;
   std::cout << GridLogMessage<< "* Benchmarking DomainWallFermionR::DhopEO                "<<std::endl;
   std::cout << GridLogMessage<< "* Vectorising space-time by "<<vComplex::Nsimd()<<std::endl;
   if ( sizeof(Real)==4 )   std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
   if ( sizeof(Real)==8 )   std::cout << GridLogMessage<< "* DOUBLE precision "<<std::endl;
+#ifdef GRID_OMP
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) std::cout << GridLogMessage<< "* Using Overlapped Comms/Compute" <<std::endl;
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute) std::cout << GridLogMessage<< "* Using sequential comms compute" <<std::endl;
+#endif
   if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using GENERIC Nc WilsonKernels" <<std::endl;
   if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptHandUnroll) std::cout << GridLogMessage<< "* Using Nc=3       WilsonKernels" <<std::endl;
   if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
@@ -369,6 +469,7 @@ int main (int argc, char ** argv)
   {
     Dw.ZeroCounters();
     FGrid->Barrier();
+    Dw.DhopEO(src_o,r_e,DaggerNo);
     double t0=usecond();
     for(int i=0;i<ncall;i++){
       Dw.DhopEO(src_o,r_e,DaggerNo);
@@ -381,6 +482,7 @@ int main (int argc, char ** argv)
 
     std::cout<<GridLogMessage << "Deo mflop/s =   "<< flops/(t1-t0)<<std::endl;
     std::cout<<GridLogMessage << "Deo mflop/s per rank   "<< flops/(t1-t0)/NP<<std::endl;
+    std::cout<<GridLogMessage << "Deo mflop/s per node   "<< flops/(t1-t0)/NN<<std::endl;
     Dw.Report();
   }
   Dw.DhopEO(src_o,r_e,DaggerNo);
@@ -396,14 +498,20 @@ int main (int argc, char ** argv)
 
   err = r_eo-result; 
   std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<<std::endl;
-  assert(norm2(err)<1.0e-4);
+  if((norm2(err)>1.0e-4)){
+	std::cout<< "Deo RESULT\n " <<r_eo << std::endl;
+	std::cout<< "Deo REF\n " <<result  << std::endl;
+	std::cout<< "Deo ERR   \n " << err <<std::endl;
+  }
 
   pickCheckerboard(Even,src_e,err);
   pickCheckerboard(Odd,src_o,err);
   std::cout<<GridLogMessage << "norm diff even  "<< norm2(src_e)<<std::endl;
   std::cout<<GridLogMessage << "norm diff odd   "<< norm2(src_o)<<std::endl;
+
   assert(norm2(src_e)<1.0e-4);
   assert(norm2(src_o)<1.0e-4);
-
   Grid_finalize();
+  exit(0);
 }
+

benchmarks/Benchmark_gparity.cc

@@ -0,0 +1,190 @@
+#include <Grid/Grid.h>
+#include <sstream>
+using namespace std;
+using namespace Grid;
+using namespace Grid::QCD;
+
+template<class d>
+struct scal {
+  d internal;
+};
+
+  Gamma::Algebra Gmu [] = {
+    Gamma::Algebra::GammaX,
+    Gamma::Algebra::GammaY,
+    Gamma::Algebra::GammaZ,
+    Gamma::Algebra::GammaT
+  };
+
+typedef typename GparityDomainWallFermionF::FermionField GparityLatticeFermionF;
+typedef typename GparityDomainWallFermionD::FermionField GparityLatticeFermionD;
+
+
+
+int main (int argc, char ** argv)
+{
+  Grid_init(&argc,&argv);
+
+  int Ls=16;
+  for(int i=0;i<argc;i++)
+    if(std::string(argv[i]) == "-Ls"){
+      std::stringstream ss(argv[i+1]); ss >> Ls;
+    }
+
+
+  int threads = GridThread::GetThreads();
+  std::cout<<GridLogMessage << "Grid is setup to use "<<threads<<" threads"<<std::endl;
+  std::cout<<GridLogMessage << "Ls = " << Ls << std::endl;
+
+  std::vector<int> latt4 = GridDefaultLatt();
+
+  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplexF::Nsimd()),GridDefaultMpi());
+  GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
+  GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
+  GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
+
+  std::vector<int> seeds4({1,2,3,4});
+  std::vector<int> seeds5({5,6,7,8});
+  
+  std::cout << GridLogMessage << "Initialising 4d RNG" << std::endl;
+  GridParallelRNG          RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
+  std::cout << GridLogMessage << "Initialising 5d RNG" << std::endl;
+  GridParallelRNG          RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
+  std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
+
+  GparityLatticeFermionF src   (FGrid); random(RNG5,src);
+  RealD N2 = 1.0/::sqrt(norm2(src));
+  src = src*N2;
+
+  GparityLatticeFermionF result(FGrid); result=zero;
+  GparityLatticeFermionF    ref(FGrid);    ref=zero;
+  GparityLatticeFermionF    tmp(FGrid);
+  GparityLatticeFermionF    err(FGrid);
+
+  std::cout << GridLogMessage << "Drawing gauge field" << std::endl;
+  LatticeGaugeFieldF Umu(UGrid); 
+  SU3::HotConfiguration(RNG4,Umu); 
+  std::cout << GridLogMessage << "Random gauge initialised " << std::endl;
+
+  RealD mass=0.1;
+  RealD M5  =1.8;
+
+  RealD NP = UGrid->_Nprocessors;
+  RealD NN = UGrid->NodeCount();
+
+  std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
+  std::cout << GridLogMessage<< "* Kernel options --dslash-generic, --dslash-unroll, --dslash-asm" <<std::endl;
+  std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
+  std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
+  std::cout << GridLogMessage<< "* Benchmarking DomainWallFermion::Dhop                  "<<std::endl;
+  std::cout << GridLogMessage<< "* Vectorising space-time by "<<vComplexF::Nsimd()<<std::endl;
+#ifdef GRID_OMP
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) std::cout << GridLogMessage<< "* Using Overlapped Comms/Compute" <<std::endl;
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute) std::cout << GridLogMessage<< "* Using sequential comms compute" <<std::endl;
+#endif
+  if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using GENERIC Nc WilsonKernels" <<std::endl;
+  if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptHandUnroll) std::cout << GridLogMessage<< "* Using Nc=3       WilsonKernels" <<std::endl;
+  if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
+  std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
+
+
+
+  std::cout << GridLogMessage<< "* SINGLE/SINGLE"<<std::endl;
+  GparityDomainWallFermionF Dw(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+  int ncall =1000;
+  if (1) {
+    FGrid->Barrier();
+    Dw.ZeroCounters();
+    Dw.Dhop(src,result,0);
+    std::cout<<GridLogMessage<<"Called warmup"<<std::endl;
+    double t0=usecond();
+    for(int i=0;i<ncall;i++){
+      __SSC_START;
+      Dw.Dhop(src,result,0);
+      __SSC_STOP;
+    }
+    double t1=usecond();
+    FGrid->Barrier();
+    
+    double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
+    double flops=2*1344*volume*ncall;
+
+    std::cout<<GridLogMessage << "Called Dw "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
+    //    std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
+    //    std::cout<<GridLogMessage << "norm ref    "<< norm2(ref)<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s per rank =  "<< flops/(t1-t0)/NP<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s per node =  "<< flops/(t1-t0)/NN<<std::endl;
+    Dw.Report();
+  }
+
+  std::cout << GridLogMessage<< "* SINGLE/HALF"<<std::endl;
+  GparityDomainWallFermionFH DwH(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+  if (1) {
+    FGrid->Barrier();
+    DwH.ZeroCounters();
+    DwH.Dhop(src,result,0);
+    double t0=usecond();
+    for(int i=0;i<ncall;i++){
+      __SSC_START;
+      DwH.Dhop(src,result,0);
+      __SSC_STOP;
+    }
+    double t1=usecond();
+    FGrid->Barrier();
+    
+    double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
+    double flops=2*1344*volume*ncall;
+
+    std::cout<<GridLogMessage << "Called half prec comms Dw "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s per rank =  "<< flops/(t1-t0)/NP<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s per node =  "<< flops/(t1-t0)/NN<<std::endl;
+    DwH.Report();
+  }
+
+  GridCartesian         * UGrid_d   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplexD::Nsimd()),GridDefaultMpi());
+  GridRedBlackCartesian * UrbGrid_d = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid_d);
+  GridCartesian         * FGrid_d   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid_d);
+  GridRedBlackCartesian * FrbGrid_d = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid_d);
+
+  
+  std::cout << GridLogMessage<< "* DOUBLE/DOUBLE"<<std::endl;
+  GparityLatticeFermionD src_d(FGrid_d);
+  precisionChange(src_d,src);
+
+  LatticeGaugeFieldD Umu_d(UGrid_d); 
+  precisionChange(Umu_d,Umu);
+
+  GparityLatticeFermionD result_d(FGrid_d);
+
+  GparityDomainWallFermionD DwD(Umu_d,*FGrid_d,*FrbGrid_d,*UGrid_d,*UrbGrid_d,mass,M5);
+  if (1) {
+    FGrid_d->Barrier();
+    DwD.ZeroCounters();
+    DwD.Dhop(src_d,result_d,0);
+    std::cout<<GridLogMessage<<"Called warmup"<<std::endl;
+    double t0=usecond();
+    for(int i=0;i<ncall;i++){
+      __SSC_START;
+      DwD.Dhop(src_d,result_d,0);
+      __SSC_STOP;
+    }
+    double t1=usecond();
+    FGrid_d->Barrier();
+    
+    double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
+    double flops=2*1344*volume*ncall;
+
+    std::cout<<GridLogMessage << "Called Dw "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
+    //    std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
+    //    std::cout<<GridLogMessage << "norm ref    "<< norm2(ref)<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s per rank =  "<< flops/(t1-t0)/NP<<std::endl;
+    std::cout<<GridLogMessage << "mflop/s per node =  "<< flops/(t1-t0)/NN<<std::endl;
+    DwD.Report();
+  }
+
+  Grid_finalize();
+}
+

benchmarks/Benchmark_memory_asynch.cc

@@ -66,7 +66,8 @@ int main (int argc, char ** argv)
 
     Vec tsum; tsum = zero;
 
-    GridParallelRNG          pRNG(&Grid);      pRNG.SeedRandomDevice();
+    GridParallelRNG          pRNG(&Grid);      
+    pRNG.SeedFixedIntegers(std::vector<int>({56,17,89,101}));
 
     std::vector<double> stop(threads);
     Vector<Vec> sum(threads);
@@ -77,8 +78,7 @@ int main (int argc, char ** argv)
     }
 
     double start=usecond();
-PARALLEL_FOR_LOOP
-    for(int t=0;t<threads;t++){
+    parallel_for(int t=0;t<threads;t++){
 
       sum[t] = x[t]._odata[0];
       for(int i=0;i<Nloop;i++){

benchmarks/Benchmark_memory_bandwidth.cc

@@ -55,21 +55,21 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s"<<"\t\t"<<"Gflop/s"<<"\t\t seconds"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
-  uint64_t lmax=44;
-#define NLOOP (1*lmax*lmax*lmax*lmax/vol)
-  for(int lat=4;lat<=lmax;lat+=4){
+  uint64_t lmax=96;
+#define NLOOP (10*lmax*lmax*lmax*lmax/vol)
+  for(int lat=8;lat<=lmax;lat+=8){
 
       std::vector<int> latt_size  ({lat*mpi_layout[0],lat*mpi_layout[1],lat*mpi_layout[2],lat*mpi_layout[3]});
-      int vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
+      int64_t vol= latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
 
       uint64_t Nloop=NLOOP;
 
-      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedRandomDevice();
+      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
 
-      LatticeVec z(&Grid); //random(pRNG,z);
-      LatticeVec x(&Grid); //random(pRNG,x);
-      LatticeVec y(&Grid); //random(pRNG,y);
+      LatticeVec z(&Grid);// random(pRNG,z);
+      LatticeVec x(&Grid);// random(pRNG,x);
+      LatticeVec y(&Grid);// random(pRNG,y);
       double a=2.0;
 
 
@@ -83,7 +83,7 @@ int main (int argc, char ** argv)
       double time = (stop-start)/Nloop*1000;
       
       double flops=vol*Nvec*2;// mul,add
-      double bytes=3*vol*Nvec*sizeof(Real);
+      double bytes=3.0*vol*Nvec*sizeof(Real);
       std::cout<<GridLogMessage<<std::setprecision(3) << lat<<"\t\t"<<bytes<<"   \t\t"<<bytes/time<<"\t\t"<<flops/time<<"\t\t"<<(stop-start)/1000./1000.<<std::endl;
 
     }
@@ -94,17 +94,17 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s"<<"\t\t"<<"Gflop/s"<<"\t\t seconds"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
   
-  for(int lat=4;lat<=lmax;lat+=4){
+  for(int lat=8;lat<=lmax;lat+=8){
 
       std::vector<int> latt_size  ({lat*mpi_layout[0],lat*mpi_layout[1],lat*mpi_layout[2],lat*mpi_layout[3]});
-      int vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
+      int64_t vol= latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
 
-      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedRandomDevice();
+      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
 
-      LatticeVec z(&Grid); //random(pRNG,z);
-      LatticeVec x(&Grid); //random(pRNG,x);
-      LatticeVec y(&Grid); //random(pRNG,y);
+      LatticeVec z(&Grid);// random(pRNG,z);
+      LatticeVec x(&Grid);// random(pRNG,x);
+      LatticeVec y(&Grid);// random(pRNG,y);
       double a=2.0;
 
       uint64_t Nloop=NLOOP;
@@ -119,7 +119,7 @@ int main (int argc, char ** argv)
       double time = (stop-start)/Nloop*1000;
      
       double flops=vol*Nvec*2;// mul,add
-      double bytes=3*vol*Nvec*sizeof(Real);
+      double bytes=3.0*vol*Nvec*sizeof(Real);
       std::cout<<GridLogMessage<<std::setprecision(3) << lat<<"\t\t"<<bytes<<"   \t\t"<<bytes/time<<"\t\t"<<flops/time<<"\t\t"<<(stop-start)/1000./1000.<<std::endl;
 
     }
@@ -129,20 +129,20 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s"<<"\t\t"<<"Gflop/s"<<"\t\t seconds"<<std::endl;
 
-  for(int lat=4;lat<=lmax;lat+=4){
+  for(int lat=8;lat<=lmax;lat+=8){
 
 
       std::vector<int> latt_size  ({lat*mpi_layout[0],lat*mpi_layout[1],lat*mpi_layout[2],lat*mpi_layout[3]});
-      int vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
+      int64_t vol= latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
       uint64_t Nloop=NLOOP;
 
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
 
-      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedRandomDevice();
+      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
 
-      LatticeVec z(&Grid); //random(pRNG,z);
-      LatticeVec x(&Grid); //random(pRNG,x);
-      LatticeVec y(&Grid); //random(pRNG,y);
+      LatticeVec z(&Grid);// random(pRNG,z);
+      LatticeVec x(&Grid);// random(pRNG,x);
+      LatticeVec y(&Grid);// random(pRNG,y);
       RealD a=2.0;
 
 
@@ -154,7 +154,7 @@ int main (int argc, char ** argv)
       double stop=usecond();
       double time = (stop-start)/Nloop*1000;
       
-      double bytes=2*vol*Nvec*sizeof(Real);
+      double bytes=2.0*vol*Nvec*sizeof(Real);
       double flops=vol*Nvec*1;// mul
       std::cout<<GridLogMessage <<std::setprecision(3) << lat<<"\t\t"<<bytes<<"   \t\t"<<bytes/time<<"\t\t"<<flops/time<<"\t\t"<<(stop-start)/1000./1000.<<std::endl;
 
@@ -166,17 +166,17 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s"<<"\t\t"<<"Gflop/s"<<"\t\t seconds"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
 
-  for(int lat=4;lat<=lmax;lat+=4){
+  for(int lat=8;lat<=lmax;lat+=8){
 
       std::vector<int> latt_size  ({lat*mpi_layout[0],lat*mpi_layout[1],lat*mpi_layout[2],lat*mpi_layout[3]});
-      int vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
+      int64_t vol= latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
       uint64_t Nloop=NLOOP;
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
 
-      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedRandomDevice();
-      LatticeVec z(&Grid); //random(pRNG,z);
-      LatticeVec x(&Grid); //random(pRNG,x);
-      LatticeVec y(&Grid); //random(pRNG,y);
+      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
+      LatticeVec z(&Grid);// random(pRNG,z);
+      LatticeVec x(&Grid);// random(pRNG,x);
+      LatticeVec y(&Grid);// random(pRNG,y);
       RealD a=2.0;
       Real nn;      
       double start=usecond();
@@ -187,7 +187,7 @@ int main (int argc, char ** argv)
       double stop=usecond();
       double time = (stop-start)/Nloop*1000;
       
-      double bytes=vol*Nvec*sizeof(Real);
+      double bytes=1.0*vol*Nvec*sizeof(Real);
       double flops=vol*Nvec*2;// mul,add
       std::cout<<GridLogMessage<<std::setprecision(3) << lat<<"\t\t"<<bytes<<"  \t\t"<<bytes/time<<"\t\t"<<flops/time<< "\t\t"<<(stop-start)/1000./1000.<< "\t\t " <<std::endl;
 

benchmarks/Benchmark_staggered.cc

@@ -0,0 +1,134 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./benchmarks/Benchmark_staggered.cc
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace std;
+using namespace Grid;
+using namespace Grid::QCD;
+
+int main (int argc, char ** argv)
+{
+  Grid_init(&argc,&argv);
+
+  std::vector<int> latt_size   = GridDefaultLatt();
+  std::vector<int> simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
+  std::vector<int> mpi_layout  = GridDefaultMpi();
+  GridCartesian               Grid(latt_size,simd_layout,mpi_layout);
+  GridRedBlackCartesian     RBGrid(&Grid);
+
+  int threads = GridThread::GetThreads();
+  std::cout<<GridLogMessage << "Grid is setup to use "<<threads<<" threads"<<std::endl;
+  std::cout<<GridLogMessage << "Grid floating point word size is REALF"<< sizeof(RealF)<<std::endl;
+  std::cout<<GridLogMessage << "Grid floating point word size is REALD"<< sizeof(RealD)<<std::endl;
+  std::cout<<GridLogMessage << "Grid floating point word size is REAL"<< sizeof(Real)<<std::endl;
+
+  std::vector<int> seeds({1,2,3,4});
+  GridParallelRNG          pRNG(&Grid);
+  pRNG.SeedFixedIntegers(seeds);
+  //  pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9});
+
+  typedef typename ImprovedStaggeredFermionR::FermionField FermionField; 
+  typename ImprovedStaggeredFermionR::ImplParams params; 
+
+  FermionField src   (&Grid); random(pRNG,src);
+  FermionField result(&Grid); result=zero;
+  FermionField    ref(&Grid);    ref=zero;
+  FermionField    tmp(&Grid);    tmp=zero;
+  FermionField    err(&Grid);    tmp=zero;
+  LatticeGaugeField Umu(&Grid); random(pRNG,Umu);
+  std::vector<LatticeColourMatrix> U(4,&Grid);
+
+  double volume=1;
+  for(int mu=0;mu<Nd;mu++){
+    volume=volume*latt_size[mu];
+  }  
+
+  // Only one non-zero (y)
+#if 0
+  Umu=zero;
+  Complex cone(1.0,0.0);
+  for(int nn=0;nn<Nd;nn++){
+    random(pRNG,U[nn]);
+    if(1) {
+      if (nn!=2) { U[nn]=zero; std::cout<<GridLogMessage << "zeroing gauge field in dir "<<nn<<std::endl; }
+      //      else       { U[nn]= cone;std::cout<<GridLogMessage << "unit gauge field in dir "<<nn<<std::endl; }
+      else       { std::cout<<GridLogMessage << "random gauge field in dir "<<nn<<std::endl; }
+    }
+    PokeIndex<LorentzIndex>(Umu,U[nn],nn);
+  }
+#endif
+
+  for(int mu=0;mu<Nd;mu++){
+    U[mu] = PeekIndex<LorentzIndex>(Umu,mu);
+  }
+  ref = zero;
+  /*  
+  { // Naive wilson implementation
+    ref = zero;
+    for(int mu=0;mu<Nd;mu++){
+      //    ref =  src + Gamma(Gamma::GammaX)* src ; // 1-gamma_x
+      tmp = U[mu]*Cshift(src,mu,1);
+      for(int i=0;i<ref._odata.size();i++){
+	ref._odata[i]+= tmp._odata[i] - Gamma(Gmu[mu])*tmp._odata[i]; ;
+      }
+
+      tmp =adj(U[mu])*src;
+      tmp =Cshift(tmp,mu,-1);
+      for(int i=0;i<ref._odata.size();i++){
+	ref._odata[i]+= tmp._odata[i] + Gamma(Gmu[mu])*tmp._odata[i]; ;
+      }
+    }
+  }
+  ref = -0.5*ref;
+  */
+
+  RealD mass=0.1;
+  RealD c1=9.0/8.0;
+  RealD c2=-1.0/24.0;
+  RealD u0=1.0;
+  ImprovedStaggeredFermionR Ds(Umu,Umu,Grid,RBGrid,mass,c1,c2,u0,params);
+  
+  std::cout<<GridLogMessage << "Calling Ds"<<std::endl;
+  int ncall=1000;
+  double t0=usecond();
+  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; // == 66*16 +  == 1146
+  
+  std::cout<<GridLogMessage << "Called Ds"<<std::endl;
+  std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
+  std::cout<<GridLogMessage << "norm ref    "<< norm2(ref)<<std::endl;
+  std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;
+  err = ref-result; 
+  std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<<std::endl;
+
+  Grid_finalize();
+}

benchmarks/Benchmark_su3.cc

@@ -35,13 +35,14 @@ using namespace Grid::QCD;
 int main (int argc, char ** argv)
 {
   Grid_init(&argc,&argv);
+#define LMAX (64)
 
-  int Nloop=1000;
+  int64_t Nloop=20;
 
   std::vector<int> simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
   std::vector<int> mpi_layout  = GridDefaultMpi();
 
-  int threads = GridThread::GetThreads();
+  int64_t threads = GridThread::GetThreads();
   std::cout<<GridLogMessage << "Grid is setup to use "<<threads<<" threads"<<std::endl;
 
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
@@ -50,19 +51,19 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s\t\t GFlop/s"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
 
-  for(int lat=2;lat<=32;lat+=2){
+  for(int lat=2;lat<=LMAX;lat+=2){
 
       std::vector<int> latt_size  ({lat*mpi_layout[0],lat*mpi_layout[1],lat*mpi_layout[2],lat*mpi_layout[3]});
-      int vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
+      int64_t vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
-      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedRandomDevice();
+      GridParallelRNG          pRNG(&Grid);      pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
 
-      LatticeColourMatrix z(&Grid);// random(pRNG,z);
-      LatticeColourMatrix x(&Grid);// random(pRNG,x);
-      LatticeColourMatrix y(&Grid);// random(pRNG,y);
+      LatticeColourMatrix z(&Grid); random(pRNG,z);
+      LatticeColourMatrix x(&Grid); random(pRNG,x);
+      LatticeColourMatrix y(&Grid); random(pRNG,y);
 
       double start=usecond();
-      for(int i=0;i<Nloop;i++){
+      for(int64_t i=0;i<Nloop;i++){
 	x=x*y;
       }
       double stop=usecond();
@@ -82,20 +83,20 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s\t\t GFlop/s"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
 
-  for(int lat=2;lat<=32;lat+=2){
+  for(int lat=2;lat<=LMAX;lat+=2){
 
       std::vector<int> latt_size  ({lat*mpi_layout[0],lat*mpi_layout[1],lat*mpi_layout[2],lat*mpi_layout[3]});
-      int vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
+      int64_t vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
 
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
-      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedRandomDevice();
+      GridParallelRNG          pRNG(&Grid);      pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
 
-      LatticeColourMatrix z(&Grid); //random(pRNG,z);
-      LatticeColourMatrix x(&Grid); //random(pRNG,x);
-      LatticeColourMatrix y(&Grid); //random(pRNG,y);
+      LatticeColourMatrix z(&Grid); random(pRNG,z);
+      LatticeColourMatrix x(&Grid); random(pRNG,x);
+      LatticeColourMatrix y(&Grid); random(pRNG,y);
 
       double start=usecond();
-      for(int i=0;i<Nloop;i++){
+      for(int64_t i=0;i<Nloop;i++){
 	z=x*y;
       }
       double stop=usecond();
@@ -113,20 +114,20 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s\t\t GFlop/s"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
 
-  for(int lat=2;lat<=32;lat+=2){
+  for(int lat=2;lat<=LMAX;lat+=2){
 
       std::vector<int> latt_size  ({lat*mpi_layout[0],lat*mpi_layout[1],lat*mpi_layout[2],lat*mpi_layout[3]});
-      int vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
+      int64_t vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
 
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
-      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedRandomDevice();
+      GridParallelRNG          pRNG(&Grid);      pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
 
-      LatticeColourMatrix z(&Grid); //random(pRNG,z);
-      LatticeColourMatrix x(&Grid); //random(pRNG,x);
-      LatticeColourMatrix y(&Grid); //random(pRNG,y);
+      LatticeColourMatrix z(&Grid); random(pRNG,z);
+      LatticeColourMatrix x(&Grid); random(pRNG,x);
+      LatticeColourMatrix y(&Grid); random(pRNG,y);
 
       double start=usecond();
-      for(int i=0;i<Nloop;i++){
+      for(int64_t i=0;i<Nloop;i++){
 	mult(z,x,y);
       }
       double stop=usecond();
@@ -144,20 +145,20 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s\t\t GFlop/s"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
 
-  for(int lat=2;lat<=32;lat+=2){
+  for(int lat=2;lat<=LMAX;lat+=2){
 
       std::vector<int> latt_size  ({lat*mpi_layout[0],lat*mpi_layout[1],lat*mpi_layout[2],lat*mpi_layout[3]});
-      int vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
+      int64_t vol = latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
 
       GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
-      //      GridParallelRNG          pRNG(&Grid);      pRNG.SeedRandomDevice();
+      GridParallelRNG          pRNG(&Grid);      pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
 
-      LatticeColourMatrix z(&Grid); //random(pRNG,z);
-      LatticeColourMatrix x(&Grid); //random(pRNG,x);
-      LatticeColourMatrix y(&Grid); //random(pRNG,y);
+      LatticeColourMatrix z(&Grid); random(pRNG,z);
+      LatticeColourMatrix x(&Grid); random(pRNG,x);
+      LatticeColourMatrix y(&Grid); random(pRNG,y);
 
       double start=usecond();
-      for(int i=0;i<Nloop;i++){
+      for(int64_t i=0;i<Nloop;i++){
 	mac(z,x,y);
       }
       double stop=usecond();

benchmarks/Benchmark_wilson.cc

@@ -58,7 +58,7 @@ int main (int argc, char ** argv)
   std::vector<int> simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
   std::vector<int> mpi_layout  = GridDefaultMpi();
   GridCartesian               Grid(latt_size,simd_layout,mpi_layout);
-  GridRedBlackCartesian     RBGrid(latt_size,simd_layout,mpi_layout);
+  GridRedBlackCartesian     RBGrid(&Grid);
 
   int threads = GridThread::GetThreads();
   std::cout<<GridLogMessage << "Grid is setup to use "<<threads<<" threads"<<std::endl;
@@ -69,7 +69,7 @@ int main (int argc, char ** argv)
   std::vector<int> seeds({1,2,3,4});
   GridParallelRNG          pRNG(&Grid);
   pRNG.SeedFixedIntegers(seeds);
-  //  pRNG.SeedRandomDevice();
+  //  pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9});
 
   LatticeFermion src   (&Grid); random(pRNG,src);
   LatticeFermion result(&Grid); result=zero;

benchmarks/Benchmark_wilson_sweep.cc

@@ -93,7 +93,7 @@ int main (int argc, char ** argv)
 	  std::cout << latt_size.back() << "\t\t";
 
 	  GridCartesian           Grid(latt_size,simd_layout,mpi_layout);
-	  GridRedBlackCartesian RBGrid(latt_size,simd_layout,mpi_layout);
+	  GridRedBlackCartesian RBGrid(&Grid);
 
 	  GridParallelRNG  pRNG(&Grid); pRNG.SeedFixedIntegers(seeds);
 	  LatticeGaugeField Umu(&Grid); random(pRNG,Umu);

benchmarks/Makefile.am

@@ -1,11 +1,7 @@
 include Make.inc
 
-simple: simple_su3_test.o simple_su3_expr.o simple_simd_test.o
-
-EXTRA_LIBRARIES = libsimple_su3_test.a libsimple_su3_expr.a libsimple_simd_test.a
-
-libsimple_su3_test_a_SOURCES = simple_su3_test.cc
-
-libsimple_su3_expr_a_SOURCES = simple_su3_expr.cc
-
-libsimple_simd_test_a_SOURCES = simple_simd_test.cc
+bench-local: all
+	./Benchmark_su3
+	./Benchmark_memory_bandwidth
+	./Benchmark_wilson
+	./Benchmark_dwf --dslash-unroll

bootstrap.sh

@@ -1,6 +1,6 @@
 #!/usr/bin/env bash
 
-EIGEN_URL='http://bitbucket.org/eigen/eigen/get/3.2.9.tar.bz2'
+EIGEN_URL='http://bitbucket.org/eigen/eigen/get/3.3.3.tar.bz2'
 
 echo "-- deploying Eigen source..."
 wget ${EIGEN_URL} --no-check-certificate

configure.ac

@@ -1,16 +1,23 @@
 AC_PREREQ([2.63])
-AC_INIT([Grid], [0.6.0], [https://github.com/paboyle/Grid], [Grid])
+AC_INIT([Grid], [0.7.0], [https://github.com/paboyle/Grid], [Grid])
 AC_CANONICAL_BUILD
 AC_CANONICAL_HOST
 AC_CANONICAL_TARGET
-AM_INIT_AUTOMAKE(subdir-objects)
+AM_INIT_AUTOMAKE([subdir-objects 1.13])
+AM_EXTRA_RECURSIVE_TARGETS([tests bench])
 AC_CONFIG_MACRO_DIR([m4])
 AC_CONFIG_SRCDIR([lib/Grid.h])
 AC_CONFIG_HEADERS([lib/Config.h],[sed -i 's|PACKAGE_|GRID_|' lib/Config.h])
 m4_ifdef([AM_SILENT_RULES], [AM_SILENT_RULES([yes])])
 
-############### Checks for programs
+################ Get git info
+#AC_REVISION([m4_esyscmd_s([./scripts/configure.commit])])
+
+################ Set flags
+# do not move!
 CXXFLAGS="-O3 $CXXFLAGS"
+
+############### Checks for programs
 AC_PROG_CXX
 AC_PROG_RANLIB
 
@@ -24,12 +31,14 @@ AX_GXX_VERSION
 AC_DEFINE_UNQUOTED([GXX_VERSION],["$GXX_VERSION"],
       [version of g++ that will compile the code])
 
+
+
 ############### Checks for typedefs, structures, and compiler characteristics
 AC_TYPE_SIZE_T
 AC_TYPE_UINT32_T
 AC_TYPE_UINT64_T
 
-############### OpenMP 
+############### OpenMP
 AC_OPENMP
 ac_openmp=no
 if test "${OPENMP_CXXFLAGS}X" != "X"; then
@@ -45,9 +54,14 @@ AC_CHECK_HEADERS(malloc/malloc.h)
 AC_CHECK_HEADERS(malloc.h)
 AC_CHECK_HEADERS(endian.h)
 AC_CHECK_HEADERS(execinfo.h)
+AC_CHECK_HEADERS(numaif.h)
 AC_CHECK_DECLS([ntohll],[], [], [[#include <arpa/inet.h>]])
 AC_CHECK_DECLS([be64toh],[], [], [[#include <arpa/inet.h>]])
 
+############## Standard libraries
+AC_CHECK_LIB([m],[cos])
+AC_CHECK_LIB([stdc++],[abort])
+
 ############### GMP and MPFR
 AC_ARG_WITH([gmp],
     [AS_HELP_STRING([--with-gmp=prefix],
@@ -60,16 +74,23 @@ AC_ARG_WITH([mpfr],
     [AM_CXXFLAGS="-I$with_mpfr/include $AM_CXXFLAGS"]
     [AM_LDFLAGS="-L$with_mpfr/lib $AM_LDFLAGS"])
 
-############### FFTW3 
-AC_ARG_WITH([fftw],    
+############### FFTW3
+AC_ARG_WITH([fftw],
             [AS_HELP_STRING([--with-fftw=prefix],
             [try this for a non-standard install prefix of the FFTW3 library])],
             [AM_CXXFLAGS="-I$with_fftw/include $AM_CXXFLAGS"]
             [AM_LDFLAGS="-L$with_fftw/lib $AM_LDFLAGS"])
 
-############### lapack 
+############### LIME
+AC_ARG_WITH([lime],
+            [AS_HELP_STRING([--with-lime=prefix],
+            [try this for a non-standard install prefix of the LIME library])],
+            [AM_CXXFLAGS="-I$with_lime/include $AM_CXXFLAGS"]
+            [AM_LDFLAGS="-L$with_lime/lib $AM_LDFLAGS"])
+
+############### lapack
 AC_ARG_ENABLE([lapack],
-    [AC_HELP_STRING([--enable-lapack=yes|no|prefix], [enable LAPACK])], 
+    [AC_HELP_STRING([--enable-lapack=yes|no|prefix], [enable LAPACK])],
     [ac_LAPACK=${enable_lapack}], [ac_LAPACK=no])
 
 case ${ac_LAPACK} in
@@ -83,6 +104,18 @@ case ${ac_LAPACK} in
         AC_DEFINE([USE_LAPACK],[1],[use LAPACK]);;
 esac
 
+############### FP16 conversions
+AC_ARG_ENABLE([sfw-fp16],
+    [AC_HELP_STRING([--enable-sfw-fp16=yes|no], [enable software fp16 comms])],
+    [ac_SFW_FP16=${enable_sfw_fp16}], [ac_SFW_FP16=yes])
+case ${ac_SFW_FP16} in
+    yes)
+      AC_DEFINE([SFW_FP16],[1],[software conversion to fp16]);;
+    no);;
+    *)
+      AC_MSG_ERROR(["SFW FP16 option not supported ${ac_SFW_FP16}"]);;
+esac
+
 ############### MKL
 AC_ARG_ENABLE([mkl],
     [AC_HELP_STRING([--enable-mkl=yes|no|prefix], [enable Intel MKL for LAPACK & FFTW])],
@@ -108,7 +141,7 @@ AC_ARG_WITH([hdf5],
 
 ############### first-touch
 AC_ARG_ENABLE([numa],
-    [AC_HELP_STRING([--enable-numa=yes|no|prefix], [enable first touch numa opt])], 
+    [AC_HELP_STRING([--enable-numa=yes|no|prefix], [enable first touch numa opt])],
     [ac_NUMA=${enable_NUMA}],[ac_NUMA=no])
 
 case ${ac_NUMA} in
@@ -134,8 +167,8 @@ if test "${ac_MKL}x" != "nox"; then
 fi
 
 AC_SEARCH_LIBS([__gmpf_init], [gmp],
-               [AC_SEARCH_LIBS([mpfr_init], [mpfr], 
-                               [AC_DEFINE([HAVE_LIBMPFR], [1], 
+               [AC_SEARCH_LIBS([mpfr_init], [mpfr],
+                               [AC_DEFINE([HAVE_LIBMPFR], [1],
                                           [Define to 1 if you have the `MPFR' library])]
                                [have_mpfr=true], [AC_MSG_ERROR([MPFR library not found])])]
                [AC_DEFINE([HAVE_LIBGMP], [1], [Define to 1 if you have the `GMP' library])]
@@ -144,7 +177,7 @@ AC_SEARCH_LIBS([__gmpf_init], [gmp],
 if test "${ac_LAPACK}x" != "nox"; then
     AC_SEARCH_LIBS([LAPACKE_sbdsdc], [lapack], [],
                    [AC_MSG_ERROR("LAPACK enabled but library not found")])
-fi   
+fi
 
 AC_SEARCH_LIBS([fftw_execute], [fftw3],
                [AC_SEARCH_LIBS([fftwf_execute], [fftw3f], [],
@@ -152,6 +185,23 @@ AC_SEARCH_LIBS([fftw_execute], [fftw3],
                [AC_DEFINE([HAVE_FFTW], [1], [Define to 1 if you have the `FFTW' library])]
                [have_fftw=true])
 
+AC_SEARCH_LIBS([limeCreateReader], [lime],
+               [AC_DEFINE([HAVE_LIME], [1], [Define to 1 if you have the `LIME' library])]
+               [have_lime=true],
+	       [AC_MSG_WARN(C-LIME library was not found in your system.
+In order to use ILGG file format please install or provide the correct path to your installation
+Info at: http://usqcd.jlab.org/usqcd-docs/c-lime/)])
+
+AC_SEARCH_LIBS([crc32], [z],
+               [AC_DEFINE([HAVE_ZLIB], [1], [Define to 1 if you have the `LIBZ' library])]
+               [have_zlib=true] [LIBS="${LIBS} -lz"],
+	       [AC_MSG_ERROR(zlib library was not found in your system.)])
+
+AC_SEARCH_LIBS([move_pages], [numa],
+               [AC_DEFINE([HAVE_LIBNUMA], [1], [Define to 1 if you have the `LIBNUMA' library])]
+               [have_libnuma=true] [LIBS="${LIBS} -lnuma"],
+	       [AC_MSG_WARN(libnuma library was not found in your system. Some optimisations will not apply)])
+
 AC_SEARCH_LIBS([H5Fopen], [hdf5_cpp],
                [AC_DEFINE([HAVE_HDF5], [1], [Define to 1 if you have the `HDF5' library])]
                [have_hdf5=true]
@@ -176,19 +226,26 @@ case ${ax_cv_cxx_compiler_vendor} in
     case ${ac_SIMD} in
       SSE4)
         AC_DEFINE([SSE4],[1],[SSE4 intrinsics])
-        SIMD_FLAGS='-msse4.2';;
+	case ${ac_SFW_FP16} in
+	  yes)
+	  SIMD_FLAGS='-msse4.2';;
+	  no)
+	  SIMD_FLAGS='-msse4.2 -mf16c';;
+	  *)
+          AC_MSG_ERROR(["SFW_FP16 must be either yes or no value ${ac_SFW_FP16} "]);;
+	esac;;
       AVX)
         AC_DEFINE([AVX1],[1],[AVX intrinsics])
-        SIMD_FLAGS='-mavx';;
+        SIMD_FLAGS='-mavx -mf16c';;
       AVXFMA4)
         AC_DEFINE([AVXFMA4],[1],[AVX intrinsics with FMA4])
-        SIMD_FLAGS='-mavx -mfma4';;
+        SIMD_FLAGS='-mavx -mfma4 -mf16c';;
       AVXFMA)
         AC_DEFINE([AVXFMA],[1],[AVX intrinsics with FMA3])
-        SIMD_FLAGS='-mavx -mfma';;
+        SIMD_FLAGS='-mavx -mfma -mf16c';;
       AVX2)
         AC_DEFINE([AVX2],[1],[AVX2 intrinsics])
-        SIMD_FLAGS='-mavx2 -mfma';;
+        SIMD_FLAGS='-mavx2 -mfma -mf16c';;
       AVX512)
         AC_DEFINE([AVX512],[1],[AVX512 intrinsics])
         SIMD_FLAGS='-mavx512f -mavx512pf -mavx512er -mavx512cd';;
@@ -197,6 +254,7 @@ case ${ax_cv_cxx_compiler_vendor} in
         SIMD_FLAGS='';;
       KNL)
         AC_DEFINE([AVX512],[1],[AVX512 intrinsics])
+        AC_DEFINE([KNL],[1],[Knights landing processor])
         SIMD_FLAGS='-march=knl';;
       GEN)
         AC_DEFINE([GEN],[1],[generic vector code])
@@ -204,6 +262,9 @@ case ${ax_cv_cxx_compiler_vendor} in
                            [generic SIMD vector width (in bytes)])
         SIMD_GEN_WIDTH_MSG=" (width= $ac_gen_simd_width)"
         SIMD_FLAGS='';;
+      NEONv8)
+        AC_DEFINE([NEONV8],[1],[ARMv8 NEON])
+        SIMD_FLAGS='-march=armv8-a';;
       QPX|BGQ)
         AC_DEFINE([QPX],[1],[QPX intrinsics for BG/Q])
         SIMD_FLAGS='';;
@@ -232,6 +293,7 @@ case ${ax_cv_cxx_compiler_vendor} in
         SIMD_FLAGS='';;
       KNL)
         AC_DEFINE([AVX512],[1],[AVX512 intrinsics for Knights Landing])
+        AC_DEFINE([KNL],[1],[Knights landing processor])
         SIMD_FLAGS='-xmic-avx512';;
       GEN)
         AC_DEFINE([GEN],[1],[generic vector code])
@@ -269,8 +331,41 @@ case ${ac_PRECISION} in
      double)
        AC_DEFINE([GRID_DEFAULT_PRECISION_DOUBLE],[1],[GRID_DEFAULT_PRECISION is DOUBLE] )
      ;;
+     *)
+     AC_MSG_ERROR([${ac_PRECISION} unsupported --enable-precision option]);
+     ;;
 esac
 
+######################  Shared memory allocation technique under MPI3
+AC_ARG_ENABLE([shm],[AC_HELP_STRING([--enable-shm=shmget|shmopen|hugetlbfs],
+              [Select SHM allocation technique])],[ac_SHM=${enable_shm}],[ac_SHM=shmopen])
+
+case ${ac_SHM} in
+
+     shmget)
+     AC_DEFINE([GRID_MPI3_SHMGET],[1],[GRID_MPI3_SHMGET] )
+     ;;
+
+     shmopen)
+     AC_DEFINE([GRID_MPI3_SHMOPEN],[1],[GRID_MPI3_SHMOPEN] )
+     ;;
+
+     hugetlbfs)
+     AC_DEFINE([GRID_MPI3_SHMMMAP],[1],[GRID_MPI3_SHMMMAP] )
+     ;;
+
+     *)
+     AC_MSG_ERROR([${ac_SHM} unsupported --enable-shm option]);
+     ;;
+esac
+
+######################  Shared base path for SHMMMAP
+AC_ARG_ENABLE([shmpath],[AC_HELP_STRING([--enable-shmpath=path],
+              [Select SHM mmap base path for hugetlbfs])],
+	      [ac_SHMPATH=${enable_shmpath}],
+	      [ac_SHMPATH=/var/lib/hugetlbfs/pagesize-2MB/])
+AC_DEFINE_UNQUOTED([GRID_SHM_PATH],["$ac_SHMPATH"],[Path to a hugetlbfs filesystem for MMAPing])
+
 ############### communication type selection
 AC_ARG_ENABLE([comms],[AC_HELP_STRING([--enable-comms=none|mpi|mpi-auto|mpi3|mpi3-auto|shmem],
               [Select communications])],[ac_COMMS=${enable_comms}],[ac_COMMS=none])
@@ -280,14 +375,14 @@ case ${ac_COMMS} in
         AC_DEFINE([GRID_COMMS_NONE],[1],[GRID_COMMS_NONE] )
         comms_type='none'
      ;;
-     mpi3l*)
-       AC_DEFINE([GRID_COMMS_MPI3L],[1],[GRID_COMMS_MPI3L] )
-       comms_type='mpi3l'
-     ;;
      mpi3*)
         AC_DEFINE([GRID_COMMS_MPI3],[1],[GRID_COMMS_MPI3] )
         comms_type='mpi3'
      ;;
+     mpit)
+        AC_DEFINE([GRID_COMMS_MPIT],[1],[GRID_COMMS_MPIT] )
+        comms_type='mpit'
+     ;;
      mpi*)
         AC_DEFINE([GRID_COMMS_MPI],[1],[GRID_COMMS_MPI] )
         comms_type='mpi'
@@ -297,7 +392,7 @@ case ${ac_COMMS} in
         comms_type='shmem'
      ;;
      *)
-        AC_MSG_ERROR([${ac_COMMS} unsupported --enable-comms option]); 
+        AC_MSG_ERROR([${ac_COMMS} unsupported --enable-comms option]);
      ;;
 esac
 case ${ac_COMMS} in
@@ -315,13 +410,13 @@ esac
 AM_CONDITIONAL(BUILD_COMMS_SHMEM, [ test "${comms_type}X" == "shmemX" ])
 AM_CONDITIONAL(BUILD_COMMS_MPI,   [ test "${comms_type}X" == "mpiX" ])
 AM_CONDITIONAL(BUILD_COMMS_MPI3,  [ test "${comms_type}X" == "mpi3X" ] )
-AM_CONDITIONAL(BUILD_COMMS_MPI3L, [ test "${comms_type}X" == "mpi3lX" ] )
+AM_CONDITIONAL(BUILD_COMMS_MPIT,  [ test "${comms_type}X" == "mpitX" ] )
 AM_CONDITIONAL(BUILD_COMMS_NONE,  [ test "${comms_type}X" == "noneX" ])
 
 ############### RNG selection
 AC_ARG_ENABLE([rng],[AC_HELP_STRING([--enable-rng=ranlux48|mt19937|sitmo],\
 	            [Select Random Number Generator to be used])],\
-	            [ac_RNG=${enable_rng}],[ac_RNG=ranlux48])
+	            [ac_RNG=${enable_rng}],[ac_RNG=sitmo])
 
 case ${ac_RNG} in
      ranlux48)
@@ -334,7 +429,7 @@ case ${ac_RNG} in
       AC_DEFINE([RNG_SITMO],[1],[RNG_SITMO] )
      ;;
      *)
-      AC_MSG_ERROR([${ac_RNG} unsupported --enable-rng option]); 
+      AC_MSG_ERROR([${ac_RNG} unsupported --enable-rng option]);
      ;;
 esac
 
@@ -351,7 +446,7 @@ case ${ac_TIMERS} in
       AC_DEFINE([TIMERS_OFF],[1],[TIMERS_OFF] )
      ;;
      *)
-      AC_MSG_ERROR([${ac_TIMERS} unsupported --enable-timers option]); 
+      AC_MSG_ERROR([${ac_TIMERS} unsupported --enable-timers option]);
      ;;
 esac
 
@@ -363,7 +458,7 @@ case ${ac_CHROMA} in
      yes|no)
      ;;
      *)
-       AC_MSG_ERROR([${ac_CHROMA} unsupported --enable-chroma option]); 
+       AC_MSG_ERROR([${ac_CHROMA} unsupported --enable-chroma option]);
      ;;
 esac
 
@@ -384,12 +479,67 @@ DX_INIT_DOXYGEN([$PACKAGE_NAME], [doxygen.cfg])
 
 ############### Ouput
 cwd=`pwd -P`; cd ${srcdir}; abs_srcdir=`pwd -P`; cd ${cwd}
+GRID_CXXFLAGS="$AM_CXXFLAGS $CXXFLAGS"
+GRID_LDFLAGS="$AM_LDFLAGS $LDFLAGS"
+GRID_LIBS=$LIBS
+GRID_SHORT_SHA=`git rev-parse --short HEAD`
+GRID_SHA=`git rev-parse HEAD`
+GRID_BRANCH=`git rev-parse --abbrev-ref HEAD`
 AM_CXXFLAGS="-I${abs_srcdir}/include $AM_CXXFLAGS"
 AM_CFLAGS="-I${abs_srcdir}/include $AM_CFLAGS"
 AM_LDFLAGS="-L${cwd}/lib $AM_LDFLAGS"
 AC_SUBST([AM_CFLAGS])
 AC_SUBST([AM_CXXFLAGS])
 AC_SUBST([AM_LDFLAGS])
+AC_SUBST([GRID_CXXFLAGS])
+AC_SUBST([GRID_LDFLAGS])
+AC_SUBST([GRID_LIBS])
+AC_SUBST([GRID_SHA])
+AC_SUBST([GRID_BRANCH])
+
+git_commit=`cd $srcdir && ./scripts/configure.commit`
+
+echo "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+Summary of configuration for $PACKAGE v$VERSION
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+----- GIT VERSION -------------------------------------
+$git_commit
+----- PLATFORM ----------------------------------------
+architecture (build)        : $build_cpu
+os (build)                  : $build_os
+architecture (target)       : $target_cpu
+os (target)                 : $target_os
+compiler vendor             : ${ax_cv_cxx_compiler_vendor}
+compiler version            : ${ax_cv_gxx_version}
+----- BUILD OPTIONS -----------------------------------
+SIMD                        : ${ac_SIMD}${SIMD_GEN_WIDTH_MSG}
+Threading                   : ${ac_openmp}
+Communications type         : ${comms_type}
+Shared memory allocator     : ${ac_SHM}
+Shared memory mmap path     : ${ac_SHMPATH}
+Default precision           : ${ac_PRECISION}
+Software FP16 conversion    : ${ac_SFW_FP16}
+RNG choice                  : ${ac_RNG}
+GMP                         : `if test "x$have_gmp" = xtrue; then echo yes; else echo no; fi`
+LAPACK                      : ${ac_LAPACK}
+FFTW                        : `if test "x$have_fftw" = xtrue; then echo yes; else echo no; fi`
+LIME (ILDG support)         : `if test "x$have_lime" = xtrue; then echo yes; else echo no; fi`
+HDF5                        : `if test "x$have_hdf5" = xtrue; then echo yes; else echo no; fi`
+build DOXYGEN documentation : `if test "$DX_FLAG_doc" = '1'; then echo yes; else echo no; fi`
+----- BUILD FLAGS -------------------------------------
+CXXFLAGS:
+`echo ${AM_CXXFLAGS} ${CXXFLAGS} | tr ' ' '\n' | sed 's/^-/    -/g'`
+LDFLAGS:
+`echo ${AM_LDFLAGS} ${LDFLAGS} | tr ' ' '\n' | sed 's/^-/    -/g'`
+LIBS:
+`echo ${LIBS} | tr ' ' '\n' | sed 's/^-/    -/g'`
+-------------------------------------------------------" > grid.configure.summary
+
+GRID_SUMMARY="`cat grid.configure.summary`"
+AM_SUBST_NOTMAKE([GRID_SUMMARY])
+AC_SUBST([GRID_SUMMARY])
+
+AC_CONFIG_FILES([grid-config], [chmod +x grid-config])
 AC_CONFIG_FILES(Makefile)
 AC_CONFIG_FILES(lib/Makefile)
 AC_CONFIG_FILES(tests/Makefile)
@@ -400,42 +550,16 @@ AC_CONFIG_FILES(tests/forces/Makefile)
 AC_CONFIG_FILES(tests/hadrons/Makefile)
 AC_CONFIG_FILES(tests/hmc/Makefile)
 AC_CONFIG_FILES(tests/solver/Makefile)
+AC_CONFIG_FILES(tests/lanczos/Makefile)
+AC_CONFIG_FILES(tests/smearing/Makefile)
 AC_CONFIG_FILES(tests/qdpxx/Makefile)
+AC_CONFIG_FILES(tests/testu01/Makefile)
 AC_CONFIG_FILES(benchmarks/Makefile)
 AC_CONFIG_FILES(extras/Makefile)
 AC_CONFIG_FILES(extras/Hadrons/Makefile)
 AC_OUTPUT
 
-echo "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-Summary of configuration for $PACKAGE v$VERSION
-~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+echo ""
+cat grid.configure.summary
+echo ""
 
------ PLATFORM ----------------------------------------
-architecture (build)        : $build_cpu
-os (build)                  : $build_os
-architecture (target)       : $target_cpu
-os (target)                 : $target_os
-compiler vendor             : ${ax_cv_cxx_compiler_vendor}
-compiler version            : ${ax_cv_gxx_version}
------ BUILD OPTIONS -----------------------------------
-SIMD                        : ${ac_SIMD}${SIMD_GEN_WIDTH_MSG}
-Threading                   : ${ac_openmp} 
-Communications type         : ${comms_type}
-Default precision           : ${ac_PRECISION}
-RNG choice                  : ${ac_RNG} 
-GMP                         : `if test "x$have_gmp" = xtrue; then echo yes; else echo no; fi`
-LAPACK                      : ${ac_LAPACK}
-FFTW                        : `if test "x$have_fftw" = xtrue; then echo yes; else echo no; fi`
-HDF5                        : `if test "x$have_hdf5" = xtrue; then echo yes; else echo no; fi`
-build DOXYGEN documentation : `if test "$DX_FLAG_doc" = '1'; then echo yes; else echo no; fi`
------ BUILD FLAGS -------------------------------------
-CXXFLAGS:
-`echo ${AM_CXXFLAGS} ${CXXFLAGS} | tr ' ' '\n' | sed 's/^-/    -/g'`
-LDFLAGS:
-`echo ${AM_LDFLAGS} ${LDFLAGS} | tr ' ' '\n' | sed 's/^-/    -/g'`
-LIBS:
-`echo ${LIBS} | tr ' ' '\n' | sed 's/^-/    -/g'`
--------------------------------------------------------" > config.summary
-echo ""
-cat config.summary
-echo ""

extras/Hadrons/Application.cc

@@ -162,7 +162,8 @@ void Application::saveParameterFile(const std::string parameterFileName)
 sizeString((size)*locVol_) << " (" << sizeString(size)  << "/site)"
 
 #define DEFINE_MEMPEAK \
-auto memPeak = [this](const std::vector<unsigned int> &program)\
+GeneticScheduler<unsigned int>::ObjFunc memPeak = \
+[this](const std::vector<unsigned int> &program)\
 {\
     unsigned int memPeak;\
     bool         msg;\

extras/Hadrons/Environment.cc

@@ -41,9 +41,10 @@ using namespace Hadrons;
 // constructor /////////////////////////////////////////////////////////////////
 Environment::Environment(void)
 {
-    nd_ = GridDefaultLatt().size();
+    dim_ = GridDefaultLatt();
+    nd_  = dim_.size();
     grid4d_.reset(SpaceTimeGrid::makeFourDimGrid(
-        GridDefaultLatt(), GridDefaultSimd(nd_, vComplex::Nsimd()),
+        dim_, GridDefaultSimd(nd_, vComplex::Nsimd()),
         GridDefaultMpi()));
     gridRb4d_.reset(SpaceTimeGrid::makeFourDimRedBlackGrid(grid4d_.get()));
     auto loc = getGrid()->LocalDimensions();
@@ -132,6 +133,16 @@ unsigned int Environment::getNd(void) const
     return nd_;
 }
 
+std::vector<int> Environment::getDim(void) const
+{
+    return dim_;
+}
+
+int Environment::getDim(const unsigned int mu) const
+{
+    return dim_[mu];
+}
+
 // random number generator /////////////////////////////////////////////////////
 void Environment::setSeed(const std::vector<int> &seed)
 {
@@ -271,6 +282,21 @@ std::string Environment::getModuleType(const std::string name) const
     return getModuleType(getModuleAddress(name));
 }
 
+std::string Environment::getModuleNamespace(const unsigned int address) const
+{
+    std::string type = getModuleType(address), ns;
+    
+    auto pos2 = type.rfind("::");
+    auto pos1 = type.rfind("::", pos2 - 2);
+    
+    return type.substr(pos1 + 2, pos2 - pos1 - 2);
+}
+
+std::string Environment::getModuleNamespace(const std::string name) const
+{
+    return getModuleNamespace(getModuleAddress(name));
+}
+
 bool Environment::hasModule(const unsigned int address) const
 {
     return (address < module_.size());
@@ -492,7 +518,14 @@ std::string Environment::getObjectType(const unsigned int address) const
 {
     if (hasRegisteredObject(address))
     {
-        return typeName(object_[address].type);
+        if (object_[address].type)
+        {
+            return typeName(object_[address].type);
+        }
+        else
+        {
+            return "<no type>";
+        }
     }
     else if (hasObject(address))
     {
@@ -532,6 +565,23 @@ Environment::Size Environment::getObjectSize(const std::string name) const
     return getObjectSize(getObjectAddress(name));
 }
 
+unsigned int Environment::getObjectModule(const unsigned int address) const
+{
+    if (hasObject(address))
+    {
+        return object_[address].module;
+    }
+    else
+    {
+        HADRON_ERROR("no object with address " + std::to_string(address));
+    }
+}
+
+unsigned int Environment::getObjectModule(const std::string name) const
+{
+    return getObjectModule(getObjectAddress(name));
+}
+
 unsigned int Environment::getObjectLs(const unsigned int address) const
 {
     if (hasRegisteredObject(address))

extras/Hadrons/Environment.hpp

@@ -106,6 +106,8 @@ public:
     void                    createGrid(const unsigned int Ls);
     GridCartesian *         getGrid(const unsigned int Ls = 1) const;
     GridRedBlackCartesian * getRbGrid(const unsigned int Ls = 1) const;
+    std::vector<int>        getDim(void) const;
+    int                     getDim(const unsigned int mu) const;
     unsigned int            getNd(void) const;
     // random number generator
     void                    setSeed(const std::vector<int> &seed);
@@ -131,6 +133,8 @@ public:
     std::string             getModuleName(const unsigned int address) const;
     std::string             getModuleType(const unsigned int address) const;
     std::string             getModuleType(const std::string name) const;
+    std::string             getModuleNamespace(const unsigned int address) const;
+    std::string             getModuleNamespace(const std::string name) const;
     bool                    hasModule(const unsigned int address) const;
     bool                    hasModule(const std::string name) const;
     Graph<unsigned int>     makeModuleGraph(void) const;
@@ -171,6 +175,8 @@ public:
     std::string             getObjectType(const std::string name) const;
     Size                    getObjectSize(const unsigned int address) const;
     Size                    getObjectSize(const std::string name) const;
+    unsigned int            getObjectModule(const unsigned int address) const;
+    unsigned int            getObjectModule(const std::string name) const;
     unsigned int            getObjectLs(const unsigned int address) const;
     unsigned int            getObjectLs(const std::string name) const;
     bool                    hasObject(const unsigned int address) const;
@@ -181,6 +187,10 @@ public:
     bool                    hasCreatedObject(const std::string name) const;
     bool                    isObject5d(const unsigned int address) const;
     bool                    isObject5d(const std::string name) const;
+    template <typename T>
+    bool                    isObjectOfType(const unsigned int address) const;
+    template <typename T>
+    bool                    isObjectOfType(const std::string name) const;
     Environment::Size       getTotalSize(void) const;
     void                    addOwnership(const unsigned int owner,
                                          const unsigned int property);
@@ -197,6 +207,7 @@ private:
     bool                                   dryRun_{false};
     unsigned int                           traj_, locVol_;
     // grids
+    std::vector<int>                       dim_;
     GridPt                                 grid4d_;
     std::map<unsigned int, GridPt>         grid5d_;
     GridRbPt                               gridRb4d_;
@@ -343,7 +354,7 @@ T * Environment::getObject(const unsigned int address) const
         else
         {
             HADRON_ERROR("object with address " + std::to_string(address) +
-                         " does not have type '" + typeid(T).name() +
+                         " does not have type '" + typeName(&typeid(T)) +
                          "' (has type '" + getObjectType(address) + "')");
         }
     }
@@ -380,6 +391,37 @@ T * Environment::createLattice(const std::string name)
     return createLattice<T>(getObjectAddress(name));
 }
 
+template <typename T>
+bool Environment::isObjectOfType(const unsigned int address) const
+{
+    if (hasRegisteredObject(address))
+    {
+        if (auto h = dynamic_cast<Holder<T> *>(object_[address].data.get()))
+        {
+            return true;
+        }
+        else
+        {
+            return false;
+        }
+    }
+    else if (hasObject(address))
+    {
+        HADRON_ERROR("object with address " + std::to_string(address) +
+                     " exists but is not registered");
+    }
+    else
+    {
+        HADRON_ERROR("no object with address " + std::to_string(address));
+    }
+}
+
+template <typename T>
+bool Environment::isObjectOfType(const std::string name) const
+{
+    return isObjectOfType<T>(getObjectAddress(name));
+}
+
 END_HADRONS_NAMESPACE
 
 #endif // Hadrons_Environment_hpp_

extras/Hadrons/Global.hpp

@@ -51,23 +51,43 @@ using Grid::operator<<;
  * error with GCC 5 (clang & GCC 6 compile fine without it).
  */
 
-// FIXME: find a way to do that in a more general fashion
 #ifndef FIMPL
 #define FIMPL WilsonImplR
 #endif
+#ifndef SIMPL
+#define SIMPL ScalarImplCR
+#endif
 
 BEGIN_HADRONS_NAMESPACE
 
 // type aliases
-#define TYPE_ALIASES(FImpl, suffix)\
+#define FERM_TYPE_ALIASES(FImpl, suffix)\
 typedef FermionOperator<FImpl>                       FMat##suffix;             \
 typedef typename FImpl::FermionField                 FermionField##suffix;     \
 typedef typename FImpl::PropagatorField              PropagatorField##suffix;  \
 typedef typename FImpl::SitePropagator               SitePropagator##suffix;   \
-typedef typename FImpl::DoubledGaugeField            DoubledGaugeField##suffix;\
-typedef std::function<void(FermionField##suffix &,                             \
+typedef std::vector<typename FImpl::SitePropagator::scalar_object>             \
+                                                     SlicedPropagator##suffix;
+
+#define GAUGE_TYPE_ALIASES(FImpl, suffix)\
+typedef typename FImpl::DoubledGaugeField DoubledGaugeField##suffix;
+
+#define SCALAR_TYPE_ALIASES(SImpl, suffix)\
+typedef typename SImpl::Field ScalarField##suffix;\
+typedef typename SImpl::Field PropagatorField##suffix;
+
+#define SOLVER_TYPE_ALIASES(FImpl, suffix)\
+typedef std::function<void(FermionField##suffix &,\
                       const FermionField##suffix &)> SolverFn##suffix;
 
+#define SINK_TYPE_ALIASES(suffix)\
+typedef std::function<SlicedPropagator##suffix(const PropagatorField##suffix &)> SinkFn##suffix;
+
+#define FGS_TYPE_ALIASES(FImpl, suffix)\
+FERM_TYPE_ALIASES(FImpl, suffix)\
+GAUGE_TYPE_ALIASES(FImpl, suffix)\
+SOLVER_TYPE_ALIASES(FImpl, suffix)
+
 // logger
 class HadronsLogger: public Logger
 {
@@ -145,6 +165,15 @@ std::string typeName(void)
     return typeName(typeIdPt<T>());
 }
 
+// default writers/readers
+#ifdef HAVE_HDF5
+typedef Hdf5Reader CorrReader;
+typedef Hdf5Writer CorrWriter;
+#else
+typedef XmlReader CorrReader;
+typedef XmlWriter CorrWriter;
+#endif
+
 END_HADRONS_NAMESPACE
 
 #endif // Hadrons_Global_hpp_

extras/Hadrons/Modules.hpp

@@ -1,40 +1,25 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid 
-
-Source file: extras/Hadrons/Modules.hpp
-
-Copyright (C) 2015
-Copyright (C) 2016
-
-Author: Antonin Portelli <antonin.portelli@me.com>
-
-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/Hadrons/Modules/MAction/DWF.hpp>
 #include <Grid/Hadrons/Modules/MAction/Wilson.hpp>
 #include <Grid/Hadrons/Modules/MContraction/Baryon.hpp>
+#include <Grid/Hadrons/Modules/MContraction/DiscLoop.hpp>
+#include <Grid/Hadrons/Modules/MContraction/Gamma3pt.hpp>
 #include <Grid/Hadrons/Modules/MContraction/Meson.hpp>
+#include <Grid/Hadrons/Modules/MContraction/WeakHamiltonian.hpp>
+#include <Grid/Hadrons/Modules/MContraction/WeakHamiltonianEye.hpp>
+#include <Grid/Hadrons/Modules/MContraction/WeakHamiltonianNonEye.hpp>
+#include <Grid/Hadrons/Modules/MContraction/WeakNeutral4ptDisc.hpp>
+#include <Grid/Hadrons/Modules/MFermion/GaugeProp.hpp>
 #include <Grid/Hadrons/Modules/MGauge/Load.hpp>
 #include <Grid/Hadrons/Modules/MGauge/Random.hpp>
+#include <Grid/Hadrons/Modules/MGauge/StochEm.hpp>
 #include <Grid/Hadrons/Modules/MGauge/Unit.hpp>
+#include <Grid/Hadrons/Modules/MLoop/NoiseLoop.hpp>
+#include <Grid/Hadrons/Modules/MScalar/ChargedProp.hpp>
+#include <Grid/Hadrons/Modules/MScalar/FreeProp.hpp>
+#include <Grid/Hadrons/Modules/MScalar/Scalar.hpp>
+#include <Grid/Hadrons/Modules/MSink/Point.hpp>
 #include <Grid/Hadrons/Modules/MSolver/RBPrecCG.hpp>
 #include <Grid/Hadrons/Modules/MSource/Point.hpp>
 #include <Grid/Hadrons/Modules/MSource/SeqGamma.hpp>
+#include <Grid/Hadrons/Modules/MSource/Wall.hpp>
 #include <Grid/Hadrons/Modules/MSource/Z2.hpp>
-#include <Grid/Hadrons/Modules/Quark.hpp>

extras/Hadrons/Modules/MAction/DWF.hpp

@@ -27,8 +27,8 @@ See the full license in the file "LICENSE" in the top level distribution directo
 *************************************************************************************/
 /*  END LEGAL */
 
-#ifndef Hadrons_DWF_hpp_
-#define Hadrons_DWF_hpp_
+#ifndef Hadrons_MAction_DWF_hpp_
+#define Hadrons_MAction_DWF_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -48,14 +48,15 @@ public:
                                     std::string, gauge,
                                     unsigned int, Ls,
                                     double      , mass,
-                                    double      , M5);
+                                    double      , M5,
+                                    std::string , boundary);
 };
 
 template <typename FImpl>
 class TDWF: public Module<DWFPar>
 {
 public:
-    TYPE_ALIASES(FImpl,);
+    FGS_TYPE_ALIASES(FImpl,);
 public:
     // constructor
     TDWF(const std::string name);
@@ -116,14 +117,19 @@ void TDWF<FImpl>::execute(void)
                  << par().mass << ", M5= " << par().M5 << " and Ls= "
                  << par().Ls << " using gauge field '" << par().gauge << "'"
                  << std::endl;
+    LOG(Message) << "Fermion boundary conditions: " << par().boundary 
+                 << std::endl;
     env().createGrid(par().Ls);
     auto &U      = *env().template getObject<LatticeGaugeField>(par().gauge);
     auto &g4     = *env().getGrid();
     auto &grb4   = *env().getRbGrid();
     auto &g5     = *env().getGrid(par().Ls);
     auto &grb5   = *env().getRbGrid(par().Ls);
+    std::vector<Complex> boundary = strToVec<Complex>(par().boundary);
+    typename DomainWallFermion<FImpl>::ImplParams implParams(boundary);
     FMat *fMatPt = new DomainWallFermion<FImpl>(U, g5, grb5, g4, grb4,
-                                                par().mass, par().M5);
+                                                par().mass, par().M5,
+                                                implParams);
     env().setObject(getName(), fMatPt);
 }
 
@@ -131,4 +137,4 @@ END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons_DWF_hpp_
+#endif // Hadrons_MAction_DWF_hpp_

extras/Hadrons/Modules/MAction/Wilson.hpp

@@ -27,8 +27,8 @@ See the full license in the file "LICENSE" in the top level distribution directo
 *************************************************************************************/
 /*  END LEGAL */
 
-#ifndef Hadrons_Wilson_hpp_
-#define Hadrons_Wilson_hpp_
+#ifndef Hadrons_MAction_Wilson_hpp_
+#define Hadrons_MAction_Wilson_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -46,14 +46,15 @@ class WilsonPar: Serializable
 public:
     GRID_SERIALIZABLE_CLASS_MEMBERS(WilsonPar,
                                     std::string, gauge,
-                                    double     , mass);
+                                    double     , mass,
+                                    std::string, boundary);
 };
 
 template <typename FImpl>
 class TWilson: public Module<WilsonPar>
 {
 public:
-    TYPE_ALIASES(FImpl,);
+    FGS_TYPE_ALIASES(FImpl,);
 public:
     // constructor
     TWilson(const std::string name);
@@ -112,10 +113,15 @@ void TWilson<FImpl>::execute()
 {
     LOG(Message) << "Setting up TWilson fermion matrix with m= " << par().mass
                  << " using gauge field '" << par().gauge << "'" << std::endl;
+    LOG(Message) << "Fermion boundary conditions: " << par().boundary 
+                 << std::endl;
     auto &U      = *env().template getObject<LatticeGaugeField>(par().gauge);
     auto &grid   = *env().getGrid();
     auto &gridRb = *env().getRbGrid();
-    FMat *fMatPt = new WilsonFermion<FImpl>(U, grid, gridRb, par().mass);
+    std::vector<Complex> boundary = strToVec<Complex>(par().boundary);
+    typename WilsonFermion<FImpl>::ImplParams implParams(boundary);
+    FMat *fMatPt = new WilsonFermion<FImpl>(U, grid, gridRb, par().mass,
+                                            implParams);
     env().setObject(getName(), fMatPt);
 }
 

extras/Hadrons/Modules/MContraction/Baryon.hpp

@@ -27,8 +27,8 @@ See the full license in the file "LICENSE" in the top level distribution directo
 *************************************************************************************/
 /*  END LEGAL */
 
-#ifndef Hadrons_Baryon_hpp_
-#define Hadrons_Baryon_hpp_
+#ifndef Hadrons_MContraction_Baryon_hpp_
+#define Hadrons_MContraction_Baryon_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -55,9 +55,9 @@ template <typename FImpl1, typename FImpl2, typename FImpl3>
 class TBaryon: public Module<BaryonPar>
 {
 public:
-    TYPE_ALIASES(FImpl1, 1);
-    TYPE_ALIASES(FImpl2, 2);
-    TYPE_ALIASES(FImpl3, 3);
+    FERM_TYPE_ALIASES(FImpl1, 1);
+    FERM_TYPE_ALIASES(FImpl2, 2);
+    FERM_TYPE_ALIASES(FImpl3, 3);
     class Result: Serializable
     {
     public:
@@ -112,7 +112,7 @@ void TBaryon<FImpl1, FImpl2, FImpl3>::execute(void)
                  << " quarks '" << par().q1 << "', '" << par().q2 << "', and '"
                  << par().q3 << "'" << std::endl;
     
-    XmlWriter             writer(par().output);
+    CorrWriter             writer(par().output);
     PropagatorField1      &q1 = *env().template getObject<PropagatorField1>(par().q1);
     PropagatorField2      &q2 = *env().template getObject<PropagatorField2>(par().q2);
     PropagatorField3      &q3 = *env().template getObject<PropagatorField3>(par().q2);
@@ -121,11 +121,11 @@ void TBaryon<FImpl1, FImpl2, FImpl3>::execute(void)
     
     // FIXME: do contractions
     
-    write(writer, "meson", result);
+    // write(writer, "meson", result);
 }
 
 END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons_Baryon_hpp_
+#endif // Hadrons_MContraction_Baryon_hpp_

extras/Hadrons/Modules/MContraction/DiscLoop.hpp

@@ -0,0 +1,144 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MContraction/DiscLoop.hpp
+
+Copyright (C) 2017
+
+Author: Andrew Lawson    <andrew.lawson1991@gmail.com>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef Hadrons_MContraction_DiscLoop_hpp_
+#define Hadrons_MContraction_DiscLoop_hpp_
+
+#include <Grid/Hadrons/Global.hpp>
+#include <Grid/Hadrons/Module.hpp>
+#include <Grid/Hadrons/ModuleFactory.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/******************************************************************************
+ *                                DiscLoop                                    *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MContraction)
+
+class DiscLoopPar: Serializable
+{
+public:
+    GRID_SERIALIZABLE_CLASS_MEMBERS(DiscLoopPar,
+                                    std::string,    q_loop,
+                                    Gamma::Algebra, gamma,
+                                    std::string,    output);
+};
+
+template <typename FImpl>
+class TDiscLoop: public Module<DiscLoopPar>
+{
+    FERM_TYPE_ALIASES(FImpl,);
+    class Result: Serializable
+    {
+    public:
+        GRID_SERIALIZABLE_CLASS_MEMBERS(Result,
+                                        Gamma::Algebra, gamma,
+                                        std::vector<Complex>, corr);
+    };
+public:
+    // constructor
+    TDiscLoop(const std::string name);
+    // destructor
+    virtual ~TDiscLoop(void) = default;
+    // dependency relation
+    virtual std::vector<std::string> getInput(void);
+    virtual std::vector<std::string> getOutput(void);
+    // setup
+    virtual void setup(void);
+    // execution
+    virtual void execute(void);
+};
+
+MODULE_REGISTER_NS(DiscLoop, TDiscLoop<FIMPL>, MContraction);
+
+/******************************************************************************
+ *                       TDiscLoop implementation                             *
+ ******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+template <typename FImpl>
+TDiscLoop<FImpl>::TDiscLoop(const std::string name)
+: Module<DiscLoopPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+template <typename FImpl>
+std::vector<std::string> TDiscLoop<FImpl>::getInput(void)
+{
+    std::vector<std::string> in = {par().q_loop};
+    
+    return in;
+}
+
+template <typename FImpl>
+std::vector<std::string> TDiscLoop<FImpl>::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+    
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+template <typename FImpl>
+void TDiscLoop<FImpl>::setup(void)
+{
+    
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+template <typename FImpl>
+void TDiscLoop<FImpl>::execute(void)
+{
+    LOG(Message) << "Computing disconnected loop contraction '" << getName() 
+                 << "' using '" << par().q_loop << "' with " << par().gamma 
+                 << " insertion." << std::endl;
+
+    CorrWriter            writer(par().output);
+    PropagatorField       &q_loop = *env().template getObject<PropagatorField>(par().q_loop);
+    LatticeComplex        c(env().getGrid());
+    Gamma                 gamma(par().gamma);
+    std::vector<TComplex> buf;
+    Result                result;
+
+    c = trace(gamma*q_loop);
+    sliceSum(c, buf, Tp);
+
+    result.gamma = par().gamma;
+    result.corr.resize(buf.size());
+    for (unsigned int t = 0; t < buf.size(); ++t)
+    {
+        result.corr[t] = TensorRemove(buf[t]);
+    }
+
+    write(writer, "disc", result);
+}
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MContraction_DiscLoop_hpp_

extras/Hadrons/Modules/MContraction/Gamma3pt.hpp

@@ -0,0 +1,170 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MContraction/Gamma3pt.hpp
+
+Copyright (C) 2017
+
+Author: Andrew Lawson    <andrew.lawson1991@gmail.com>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef Hadrons_MContraction_Gamma3pt_hpp_
+#define Hadrons_MContraction_Gamma3pt_hpp_
+
+#include <Grid/Hadrons/Global.hpp>
+#include <Grid/Hadrons/Module.hpp>
+#include <Grid/Hadrons/ModuleFactory.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/*
+ * 3pt contraction with gamma matrix insertion.
+ *
+ * Schematic:
+ *
+ *             q2           q3
+ *        /----<------*------<----¬
+ *       /          gamma          \
+ *      /                           \
+ *   i *                            * f
+ *      \                          /
+ *       \                        /
+ *        \----------->----------/
+ *                   q1
+ *
+ *      trace(g5*q1*adj(q2)*g5*gamma*q3)
+ */
+
+/******************************************************************************
+ *                               Gamma3pt                                     *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MContraction)
+
+class Gamma3ptPar: Serializable
+{
+public:
+    GRID_SERIALIZABLE_CLASS_MEMBERS(Gamma3ptPar,
+                                    std::string,    q1,
+                                    std::string,    q2,
+                                    std::string,    q3,
+                                    Gamma::Algebra, gamma,
+                                    std::string,    output);
+};
+
+template <typename FImpl1, typename FImpl2, typename FImpl3>
+class TGamma3pt: public Module<Gamma3ptPar>
+{
+    FERM_TYPE_ALIASES(FImpl1, 1);
+    FERM_TYPE_ALIASES(FImpl2, 2);
+    FERM_TYPE_ALIASES(FImpl3, 3);
+    class Result: Serializable
+    {
+    public:
+        GRID_SERIALIZABLE_CLASS_MEMBERS(Result,
+                                        Gamma::Algebra, gamma,
+                                        std::vector<Complex>, corr);
+    };
+public:
+    // constructor
+    TGamma3pt(const std::string name);
+    // destructor
+    virtual ~TGamma3pt(void) = default;
+    // dependency relation
+    virtual std::vector<std::string> getInput(void);
+    virtual std::vector<std::string> getOutput(void);
+    // setup
+    virtual void setup(void);
+    // execution
+    virtual void execute(void);
+};
+
+MODULE_REGISTER_NS(Gamma3pt, ARG(TGamma3pt<FIMPL, FIMPL, FIMPL>), MContraction);
+
+/******************************************************************************
+ *                       TGamma3pt implementation                             *
+ ******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+template <typename FImpl1, typename FImpl2, typename FImpl3>
+TGamma3pt<FImpl1, FImpl2, FImpl3>::TGamma3pt(const std::string name)
+: Module<Gamma3ptPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+template <typename FImpl1, typename FImpl2, typename FImpl3>
+std::vector<std::string> TGamma3pt<FImpl1, FImpl2, FImpl3>::getInput(void)
+{
+    std::vector<std::string> in = {par().q1, par().q2, par().q3};
+    
+    return in;
+}
+
+template <typename FImpl1, typename FImpl2, typename FImpl3>
+std::vector<std::string> TGamma3pt<FImpl1, FImpl2, FImpl3>::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+    
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+template <typename FImpl1, typename FImpl2, typename FImpl3>
+void TGamma3pt<FImpl1, FImpl2, FImpl3>::setup(void)
+{
+    
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+template <typename FImpl1, typename FImpl2, typename FImpl3>
+void TGamma3pt<FImpl1, FImpl2, FImpl3>::execute(void)
+{
+    LOG(Message) << "Computing 3pt contractions '" << getName() << "' using"
+                 << " quarks '" << par().q1 << "', '" << par().q2 << "' and '"
+                 << par().q3 << "', with " << par().gamma << " insertion." 
+                 << std::endl;
+
+    CorrWriter            writer(par().output);
+    PropagatorField1      &q1 = *env().template getObject<PropagatorField1>(par().q1);
+    PropagatorField2      &q2 = *env().template getObject<PropagatorField2>(par().q2);
+    PropagatorField3      &q3 = *env().template getObject<PropagatorField3>(par().q3);
+    LatticeComplex        c(env().getGrid());
+    Gamma                 g5(Gamma::Algebra::Gamma5);
+    Gamma                 gamma(par().gamma);
+    std::vector<TComplex> buf;
+    Result                result;
+
+    c = trace(g5*q1*adj(q2)*(g5*gamma)*q3);
+    sliceSum(c, buf, Tp);
+
+    result.gamma = par().gamma;
+    result.corr.resize(buf.size());
+    for (unsigned int t = 0; t < buf.size(); ++t)
+    {
+        result.corr[t] = TensorRemove(buf[t]);
+    }
+
+    write(writer, "gamma3pt", result);
+}
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MContraction_Gamma3pt_hpp_

extras/Hadrons/Modules/MContraction/Meson.hpp

@@ -6,8 +6,10 @@ Source file: extras/Hadrons/Modules/MContraction/Meson.hpp
 
 Copyright (C) 2015
 Copyright (C) 2016
+Copyright (C) 2017
 
 Author: Antonin Portelli <antonin.portelli@me.com>
+        Andrew Lawson    <andrew.lawson1991@gmail.com>
 
 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
@@ -27,8 +29,8 @@ See the full license in the file "LICENSE" in the top level distribution directo
 *************************************************************************************/
 /*  END LEGAL */
 
-#ifndef Hadrons_Meson_hpp_
-#define Hadrons_Meson_hpp_
+#ifndef Hadrons_MContraction_Meson_hpp_
+#define Hadrons_MContraction_Meson_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -36,32 +38,56 @@ See the full license in the file "LICENSE" in the top level distribution directo
 
 BEGIN_HADRONS_NAMESPACE
 
+/*
+ 
+ Meson contractions
+ -----------------------------
+ 
+ * options:
+ - q1: input propagator 1 (string)
+ - q2: input propagator 2 (string)
+ - gammas: gamma products to insert at sink & source, pairs of gamma matrices 
+           (space-separated strings) in angled brackets (i.e. <g_sink g_src>),
+           in a sequence (e.g. "<Gamma5 Gamma5><Gamma5 GammaT>").
+
+           Special values: "all" - perform all possible contractions.
+ - mom: momentum insertion, space-separated float sequence (e.g ".1 .2 1. 0."),
+        given as multiples of (2*pi) / L.
+*/
+
 /******************************************************************************
  *                                TMeson                                       *
  ******************************************************************************/
 BEGIN_MODULE_NAMESPACE(MContraction)
 
+typedef std::pair<Gamma::Algebra, Gamma::Algebra> GammaPair;
+
 class MesonPar: Serializable
 {
 public:
     GRID_SERIALIZABLE_CLASS_MEMBERS(MesonPar,
-                                    std::string,    q1,
-                                    std::string,    q2,
-                                    std::string,    output,
-                                    Gamma::Algebra, gammaSource,
-                                    Gamma::Algebra, gammaSink);
+                                    std::string, q1,
+                                    std::string, q2,
+                                    std::string, gammas,
+                                    std::string, sink,
+                                    std::string, output);
 };
 
 template <typename FImpl1, typename FImpl2>
 class TMeson: public Module<MesonPar>
 {
 public:
-    TYPE_ALIASES(FImpl1, 1);
-    TYPE_ALIASES(FImpl2, 2);
+    FERM_TYPE_ALIASES(FImpl1, 1);
+    FERM_TYPE_ALIASES(FImpl2, 2);
+    FERM_TYPE_ALIASES(ScalarImplCR, Scalar);
+    SINK_TYPE_ALIASES(Scalar);
     class Result: Serializable
     {
     public:
-        GRID_SERIALIZABLE_CLASS_MEMBERS(Result, std::vector<Complex>, corr);
+        GRID_SERIALIZABLE_CLASS_MEMBERS(Result,
+                                        Gamma::Algebra, gamma_snk,
+                                        Gamma::Algebra, gamma_src,
+                                        std::vector<Complex>, corr);
     };
 public:
     // constructor
@@ -71,6 +97,7 @@ public:
     // dependencies/products
     virtual std::vector<std::string> getInput(void);
     virtual std::vector<std::string> getOutput(void);
+    virtual void parseGammaString(std::vector<GammaPair> &gammaList);
     // execution
     virtual void execute(void);
 };
@@ -90,7 +117,7 @@ TMeson<FImpl1, FImpl2>::TMeson(const std::string name)
 template <typename FImpl1, typename FImpl2>
 std::vector<std::string> TMeson<FImpl1, FImpl2>::getInput(void)
 {
-    std::vector<std::string> input = {par().q1, par().q2};
+    std::vector<std::string> input = {par().q1, par().q2, par().sink};
     
     return input;
 }
@@ -103,7 +130,35 @@ std::vector<std::string> TMeson<FImpl1, FImpl2>::getOutput(void)
     return output;
 }
 
+template <typename FImpl1, typename FImpl2>
+void TMeson<FImpl1, FImpl2>::parseGammaString(std::vector<GammaPair> &gammaList)
+{
+    gammaList.clear();
+    // Determine gamma matrices to insert at source/sink.
+    if (par().gammas.compare("all") == 0)
+    {
+        // Do all contractions.
+        for (unsigned int i = 1; i < Gamma::nGamma; i += 2)
+        {
+            for (unsigned int j = 1; j < Gamma::nGamma; j += 2)
+            {
+                gammaList.push_back(std::make_pair((Gamma::Algebra)i, 
+                                                   (Gamma::Algebra)j));
+            }
+        }
+    }
+    else
+    {
+        // Parse individual contractions from input string.
+        gammaList = strToVec<GammaPair>(par().gammas);
+    }
+}
+
+
 // execution ///////////////////////////////////////////////////////////////////
+#define mesonConnected(q1, q2, gSnk, gSrc) \
+(g5*(gSnk))*(q1)*(adj(gSrc)*g5)*adj(q2)
+
 template <typename FImpl1, typename FImpl2>
 void TMeson<FImpl1, FImpl2>::execute(void)
 {
@@ -111,21 +166,73 @@ void TMeson<FImpl1, FImpl2>::execute(void)
                  << " quarks '" << par().q1 << "' and '" << par().q2 << "'"
                  << std::endl;
     
-    XmlWriter             writer(par().output);
-    PropagatorField1      &q1 = *env().template getObject<PropagatorField1>(par().q1);
-    PropagatorField2      &q2 = *env().template getObject<PropagatorField2>(par().q2);
-    LatticeComplex        c(env().getGrid());
-    Gamma                 gSrc(par().gammaSource), gSnk(par().gammaSink);
-    Gamma                 g5(Gamma::Algebra::Gamma5);
-    std::vector<TComplex> buf;
-    Result                result;
+    CorrWriter             writer(par().output);
+    std::vector<TComplex>  buf;
+    std::vector<Result>    result;
+    Gamma                  g5(Gamma::Algebra::Gamma5);
+    std::vector<GammaPair> gammaList;
+    int                    nt = env().getDim(Tp);
     
-    c = trace(gSnk*q1*adj(gSrc)*g5*adj(q2)*g5);
-    sliceSum(c, buf, Tp);
-    result.corr.resize(buf.size());
-    for (unsigned int t = 0; t < buf.size(); ++t)
+    parseGammaString(gammaList);
+    result.resize(gammaList.size());
+    for (unsigned int i = 0; i < result.size(); ++i)
     {
-        result.corr[t] = TensorRemove(buf[t]);
+        result[i].gamma_snk = gammaList[i].first;
+        result[i].gamma_src = gammaList[i].second;
+        result[i].corr.resize(nt);
+    }
+    if (env().template isObjectOfType<SlicedPropagator1>(par().q1) and
+        env().template isObjectOfType<SlicedPropagator2>(par().q2))
+    {
+        SlicedPropagator1 &q1 = *env().template getObject<SlicedPropagator1>(par().q1);
+        SlicedPropagator2 &q2 = *env().template getObject<SlicedPropagator2>(par().q2);
+        
+        LOG(Message) << "(propagator already sinked)" << std::endl;
+        for (unsigned int i = 0; i < result.size(); ++i)
+        {
+            Gamma gSnk(gammaList[i].first);
+            Gamma gSrc(gammaList[i].second);
+            
+            for (unsigned int t = 0; t < buf.size(); ++t)
+            {
+                result[i].corr[t] = TensorRemove(trace(mesonConnected(q1[t], q2[t], gSnk, gSrc)));
+            }
+        }
+    }
+    else
+    {
+        PropagatorField1 &q1   = *env().template getObject<PropagatorField1>(par().q1);
+        PropagatorField2 &q2   = *env().template getObject<PropagatorField2>(par().q2);
+        LatticeComplex   c(env().getGrid());
+        
+        LOG(Message) << "(using sink '" << par().sink << "')" << std::endl;
+        for (unsigned int i = 0; i < result.size(); ++i)
+        {
+            Gamma       gSnk(gammaList[i].first);
+            Gamma       gSrc(gammaList[i].second);
+            std::string ns;
+                
+            ns = env().getModuleNamespace(env().getObjectModule(par().sink));
+            if (ns == "MSource")
+            {
+                PropagatorField1 &sink =
+                    *env().template getObject<PropagatorField1>(par().sink);
+                
+                c = trace(mesonConnected(q1, q2, gSnk, gSrc)*sink);
+                sliceSum(c, buf, Tp);
+            }
+            else if (ns == "MSink")
+            {
+                SinkFnScalar &sink = *env().template getObject<SinkFnScalar>(par().sink);
+                
+                c   = trace(mesonConnected(q1, q2, gSnk, gSrc));
+                buf = sink(c);
+            }
+            for (unsigned int t = 0; t < buf.size(); ++t)
+            {
+                result[i].corr[t] = TensorRemove(buf[t]);
+            }
+        }
     }
     write(writer, "meson", result);
 }
@@ -134,4 +241,4 @@ END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons_Meson_hpp_
+#endif // Hadrons_MContraction_Meson_hpp_

extras/Hadrons/Modules/MContraction/WeakHamiltonian.hpp

@@ -0,0 +1,114 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MContraction/WeakHamiltonian.hpp
+
+Copyright (C) 2017
+
+Author: Andrew Lawson    <andrew.lawson1991@gmail.com>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef Hadrons_MContraction_WeakHamiltonian_hpp_
+#define Hadrons_MContraction_WeakHamiltonian_hpp_
+
+#include <Grid/Hadrons/Global.hpp>
+#include <Grid/Hadrons/Module.hpp>
+#include <Grid/Hadrons/ModuleFactory.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/******************************************************************************
+ *                         WeakHamiltonian                                    *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MContraction)
+
+/*******************************************************************************
+ * Utilities for contractions involving the Weak Hamiltonian.
+ ******************************************************************************/
+//// Sum and store correlator.
+#define MAKE_DIAG(exp, buf, res, n)\
+sliceSum(exp, buf, Tp);\
+res.name = (n);\
+res.corr.resize(buf.size());\
+for (unsigned int t = 0; t < buf.size(); ++t)\
+{\
+    res.corr[t] = TensorRemove(buf[t]);\
+}
+
+//// Contraction of mu index: use 'mu' variable in exp.
+#define SUM_MU(buf,exp)\
+buf = zero;\
+for (unsigned int mu = 0; mu < ndim; ++mu)\
+{\
+    buf += exp;\
+}
+
+enum 
+{
+  i_V = 0,
+  i_A = 1,
+  n_i = 2
+};
+
+class WeakHamiltonianPar: Serializable
+{
+public:
+    GRID_SERIALIZABLE_CLASS_MEMBERS(WeakHamiltonianPar,
+                                    std::string, q1,
+                                    std::string, q2,
+                                    std::string, q3,
+                                    std::string, q4,
+                                    std::string, output);
+};
+
+#define MAKE_WEAK_MODULE(modname)\
+class T##modname: public Module<WeakHamiltonianPar>\
+{\
+public:\
+    FERM_TYPE_ALIASES(FIMPL,)\
+    class Result: Serializable\
+    {\
+    public:\
+        GRID_SERIALIZABLE_CLASS_MEMBERS(Result,\
+                                        std::string, name,\
+                                        std::vector<Complex>, corr);\
+    };\
+public:\
+    /* constructor */ \
+    T##modname(const std::string name);\
+    /* destructor */ \
+    virtual ~T##modname(void) = default;\
+    /* dependency relation */ \
+    virtual std::vector<std::string> getInput(void);\
+    virtual std::vector<std::string> getOutput(void);\
+    /* setup */ \
+    virtual void setup(void);\
+    /* execution */ \
+    virtual void execute(void);\
+    std::vector<std::string> VA_label = {"V", "A"};\
+};\
+MODULE_REGISTER_NS(modname, T##modname, MContraction);
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MContraction_WeakHamiltonian_hpp_

extras/Hadrons/Modules/MContraction/WeakHamiltonianEye.cc

@@ -0,0 +1,137 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MContraction/WeakHamiltonianEye.cc
+
+Copyright (C) 2017
+
+Author: Andrew Lawson    <andrew.lawson1991@gmail.com>
+
+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/Hadrons/Modules/MContraction/WeakHamiltonianEye.hpp>
+
+using namespace Grid;
+using namespace Hadrons;
+using namespace MContraction;
+
+/*
+ * Weak Hamiltonian current-current contractions, Eye-type.
+ * 
+ * These contractions are generated by the Q1 and Q2 operators in the physical
+ * basis (see e.g. Fig 3 of arXiv:1507.03094).
+ * 
+ * Schematics:        q4                 |                  
+ *                  /-<-¬                |                             
+ *                 /     \               |             q2           q3
+ *                 \     /               |        /----<------*------<----¬                        
+ *            q2    \   /    q3          |       /          /-*-¬          \
+ *       /-----<-----* *-----<----¬      |      /          /     \          \
+ *    i *            H_W           * f   |   i *           \     /  q4      * f
+ *       \                        /      |      \           \->-/          /   
+ *        \                      /       |       \                        /       
+ *         \---------->---------/        |        \----------->----------/        
+ *                   q1                  |                   q1                  
+ *                                       |
+ *                Saucer (S)             |                  Eye (E)
+ * 
+ * S: trace(q3*g5*q1*adj(q2)*g5*gL[mu][p_1]*q4*gL[mu][p_2])
+ * E: trace(q3*g5*q1*adj(q2)*g5*gL[mu][p_1])*trace(q4*gL[mu][p_2])
+ */
+
+/******************************************************************************
+ *                  TWeakHamiltonianEye implementation                        *
+ ******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+TWeakHamiltonianEye::TWeakHamiltonianEye(const std::string name)
+: Module<WeakHamiltonianPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+std::vector<std::string> TWeakHamiltonianEye::getInput(void)
+{
+    std::vector<std::string> in = {par().q1, par().q2, par().q3, par().q4};
+    
+    return in;
+}
+
+std::vector<std::string> TWeakHamiltonianEye::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+    
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+void TWeakHamiltonianEye::setup(void)
+{
+
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+void TWeakHamiltonianEye::execute(void)
+{
+    LOG(Message) << "Computing Weak Hamiltonian (Eye type) contractions '" 
+                 << getName() << "' using quarks '" << par().q1 << "', '" 
+                 << par().q2 << ", '" << par().q3 << "' and '" << par().q4 
+                 << "'." << std::endl;
+
+    CorrWriter             writer(par().output);
+    PropagatorField &q1 = *env().template getObject<PropagatorField>(par().q1);
+    PropagatorField &q2 = *env().template getObject<PropagatorField>(par().q2);
+    PropagatorField &q3 = *env().template getObject<PropagatorField>(par().q3);
+    PropagatorField &q4 = *env().template getObject<PropagatorField>(par().q4);
+    Gamma g5            = Gamma(Gamma::Algebra::Gamma5);
+    LatticeComplex        expbuf(env().getGrid());
+    std::vector<TComplex> corrbuf;
+    std::vector<Result>   result(n_eye_diag);
+    unsigned int ndim   = env().getNd();
+
+    PropagatorField              tmp1(env().getGrid());
+    LatticeComplex               tmp2(env().getGrid());
+    std::vector<PropagatorField> S_body(ndim, tmp1);
+    std::vector<PropagatorField> S_loop(ndim, tmp1);
+    std::vector<LatticeComplex>  E_body(ndim, tmp2);
+    std::vector<LatticeComplex>  E_loop(ndim, tmp2);
+
+    // Setup for S-type contractions.
+    for (int mu = 0; mu < ndim; ++mu)
+    {
+        S_body[mu] = MAKE_SE_BODY(q1, q2, q3, GammaL(Gamma::gmu[mu]));
+        S_loop[mu] = MAKE_SE_LOOP(q4, GammaL(Gamma::gmu[mu]));
+    }
+
+    // Perform S-type contractions.    
+    SUM_MU(expbuf, trace(S_body[mu]*S_loop[mu]))
+    MAKE_DIAG(expbuf, corrbuf, result[S_diag], "HW_S")
+
+    // Recycle sub-expressions for E-type contractions.
+    for (unsigned int mu = 0; mu < ndim; ++mu)
+    {
+        E_body[mu] = trace(S_body[mu]);
+        E_loop[mu] = trace(S_loop[mu]);
+    }
+
+    // Perform E-type contractions.
+    SUM_MU(expbuf, E_body[mu]*E_loop[mu])
+    MAKE_DIAG(expbuf, corrbuf, result[E_diag], "HW_E")
+
+    write(writer, "HW_Eye", result);
+}

extras/Hadrons/Modules/MContraction/WeakHamiltonianEye.hpp

@@ -0,0 +1,58 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MContraction/WeakHamiltonianEye.hpp
+
+Copyright (C) 2017
+
+Author: Andrew Lawson    <andrew.lawson1991@gmail.com>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef Hadrons_MContraction_WeakHamiltonianEye_hpp_
+#define Hadrons_MContraction_WeakHamiltonianEye_hpp_
+
+#include <Grid/Hadrons/Modules/MContraction/WeakHamiltonian.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/******************************************************************************
+ *                         WeakHamiltonianEye                                 *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MContraction)
+
+enum
+{
+    S_diag = 0,
+    E_diag = 1,
+    n_eye_diag = 2
+};
+
+// Saucer and Eye subdiagram contractions.
+#define MAKE_SE_BODY(Q_1, Q_2, Q_3, gamma) (Q_3*g5*Q_1*adj(Q_2)*g5*gamma)
+#define MAKE_SE_LOOP(Q_loop, gamma) (Q_loop*gamma)
+
+MAKE_WEAK_MODULE(WeakHamiltonianEye)
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MContraction_WeakHamiltonianEye_hpp_

extras/Hadrons/Modules/MContraction/WeakHamiltonianNonEye.cc

@@ -0,0 +1,139 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MContraction/WeakHamiltonianNonEye.cc
+
+Copyright (C) 2017
+
+Author: Andrew Lawson    <andrew.lawson1991@gmail.com>
+
+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/Hadrons/Modules/MContraction/WeakHamiltonianNonEye.hpp>
+
+using namespace Grid;
+using namespace Hadrons;
+using namespace MContraction;
+
+/*
+ * Weak Hamiltonian current-current contractions, Non-Eye-type.
+ * 
+ * These contractions are generated by the Q1 and Q2 operators in the physical
+ * basis (see e.g. Fig 3 of arXiv:1507.03094).
+ * 
+ * Schematic:     
+ *            q2             q3          |           q2              q3
+ *          /--<--¬       /--<--¬        |        /--<--¬         /--<--¬       
+ *         /       \     /       \       |       /       \       /       \      
+ *        /         \   /         \      |      /         \     /         \     
+ *       /           \ /           \     |     /           \   /           \    
+ *    i *             * H_W         *  f |  i *             * * H_W         * f 
+ *      \             *             |    |     \           /   \           /
+ *       \           / \           /     |      \         /     \         /    
+ *        \         /   \         /      |       \       /       \       /  
+ *         \       /     \       /       |        \-->--/         \-->--/      
+ *          \-->--/       \-->--/        |          q1               q4 
+ *            q1             q4          |
+ *                Connected (C)          |                 Wing (W)
+ *
+ * C: trace(q1*adj(q2)*g5*gL[mu]*q3*adj(q4)*g5*gL[mu])
+ * W: trace(q1*adj(q2)*g5*gL[mu])*trace(q3*adj(q4)*g5*gL[mu])
+ * 
+ */
+
+/******************************************************************************
+ *                  TWeakHamiltonianNonEye implementation                     *
+ ******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+TWeakHamiltonianNonEye::TWeakHamiltonianNonEye(const std::string name)
+: Module<WeakHamiltonianPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+std::vector<std::string> TWeakHamiltonianNonEye::getInput(void)
+{
+    std::vector<std::string> in = {par().q1, par().q2, par().q3, par().q4};
+    
+    return in;
+}
+
+std::vector<std::string> TWeakHamiltonianNonEye::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+    
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+void TWeakHamiltonianNonEye::setup(void)
+{
+
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+void TWeakHamiltonianNonEye::execute(void)
+{
+    LOG(Message) << "Computing Weak Hamiltonian (Non-Eye type) contractions '" 
+                 << getName() << "' using quarks '" << par().q1 << "', '" 
+                 << par().q2 << ", '" << par().q3 << "' and '" << par().q4 
+                 << "'." << std::endl;
+    
+    CorrWriter             writer(par().output);
+    PropagatorField &q1 = *env().template getObject<PropagatorField>(par().q1);
+    PropagatorField &q2 = *env().template getObject<PropagatorField>(par().q2);
+    PropagatorField &q3 = *env().template getObject<PropagatorField>(par().q3);
+    PropagatorField &q4 = *env().template getObject<PropagatorField>(par().q4);
+    Gamma g5            = Gamma(Gamma::Algebra::Gamma5);
+    LatticeComplex        expbuf(env().getGrid());
+    std::vector<TComplex> corrbuf;
+    std::vector<Result>   result(n_noneye_diag); 
+    unsigned int ndim   = env().getNd();
+
+    PropagatorField              tmp1(env().getGrid());
+    LatticeComplex               tmp2(env().getGrid());
+    std::vector<PropagatorField> C_i_side_loop(ndim, tmp1);
+    std::vector<PropagatorField> C_f_side_loop(ndim, tmp1);
+    std::vector<LatticeComplex>  W_i_side_loop(ndim, tmp2);
+    std::vector<LatticeComplex>  W_f_side_loop(ndim, tmp2);
+
+    // Setup for C-type contractions.
+    for (int mu = 0; mu < ndim; ++mu)
+    {
+        C_i_side_loop[mu] = MAKE_CW_SUBDIAG(q1, q2, GammaL(Gamma::gmu[mu]));
+        C_f_side_loop[mu] = MAKE_CW_SUBDIAG(q3, q4, GammaL(Gamma::gmu[mu]));
+    }
+
+    // Perform C-type contractions.    
+    SUM_MU(expbuf, trace(C_i_side_loop[mu]*C_f_side_loop[mu]))
+    MAKE_DIAG(expbuf, corrbuf, result[C_diag], "HW_C")
+
+    // Recycle sub-expressions for W-type contractions.
+    for (unsigned int mu = 0; mu < ndim; ++mu)
+    {
+        W_i_side_loop[mu] = trace(C_i_side_loop[mu]);
+        W_f_side_loop[mu] = trace(C_f_side_loop[mu]);
+    }
+
+    // Perform W-type contractions.
+    SUM_MU(expbuf, W_i_side_loop[mu]*W_f_side_loop[mu])
+    MAKE_DIAG(expbuf, corrbuf, result[W_diag], "HW_W")
+
+    write(writer, "HW_NonEye", result);
+}

extras/Hadrons/Modules/MContraction/WeakHamiltonianNonEye.hpp

@@ -0,0 +1,57 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MContraction/WeakHamiltonianNonEye.hpp
+
+Copyright (C) 2017
+
+Author: Andrew Lawson    <andrew.lawson1991@gmail.com>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef Hadrons_MContraction_WeakHamiltonianNonEye_hpp_
+#define Hadrons_MContraction_WeakHamiltonianNonEye_hpp_
+
+#include <Grid/Hadrons/Modules/MContraction/WeakHamiltonian.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/******************************************************************************
+ *                         WeakHamiltonianNonEye                              *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MContraction)
+
+enum
+{
+    W_diag = 0,
+    C_diag = 1,
+    n_noneye_diag = 2
+};
+
+// Wing and Connected subdiagram contractions
+#define MAKE_CW_SUBDIAG(Q_1, Q_2, gamma) (Q_1*adj(Q_2)*g5*gamma)
+
+MAKE_WEAK_MODULE(WeakHamiltonianNonEye)
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MContraction_WeakHamiltonianNonEye_hpp_

extras/Hadrons/Modules/MContraction/WeakNeutral4ptDisc.cc

@@ -0,0 +1,135 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MContraction/WeakNeutral4ptDisc.cc
+
+Copyright (C) 2017
+
+Author: Andrew Lawson    <andrew.lawson1991@gmail.com>
+
+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/Hadrons/Modules/MContraction/WeakNeutral4ptDisc.hpp>
+
+using namespace Grid;
+using namespace Hadrons;
+using namespace MContraction;
+
+/*
+ * Weak Hamiltonian + current contractions, disconnected topology for neutral 
+ * mesons.
+ * 
+ * These contractions are generated by operators Q_1,...,10 of the dS=1 Weak
+ * Hamiltonian in the physical basis and an additional current J (see e.g. 
+ * Fig 11 of arXiv:1507.03094).
+ * 
+ * Schematic:
+ *                        
+ *           q2          q4             q3
+ *       /--<--¬     /---<--¬       /---<--¬
+ *     /         \ /         \     /        \
+ *  i *           * H_W      |  J *          * f
+ *     \         / \         /     \        /
+ *      \--->---/   \-------/       \------/
+ *          q1 
+ * 
+ * options
+ * - q1: input propagator 1 (string)
+ * - q2: input propagator 2 (string)
+ * - q3: input propagator 3 (string), assumed to be sequential propagator 
+ * - q4: input propagator 4 (string), assumed to be a loop
+ * 
+ * type 1: trace(q1*adj(q2)*g5*gL[mu])*trace(loop*gL[mu])*trace(q3*g5)
+ * type 2: trace(q1*adj(q2)*g5*gL[mu]*loop*gL[mu])*trace(q3*g5)
+ */
+
+/*******************************************************************************
+ *                  TWeakNeutral4ptDisc implementation                         *
+ ******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+TWeakNeutral4ptDisc::TWeakNeutral4ptDisc(const std::string name)
+: Module<WeakHamiltonianPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+std::vector<std::string> TWeakNeutral4ptDisc::getInput(void)
+{
+    std::vector<std::string> in = {par().q1, par().q2, par().q3, par().q4};
+    
+    return in;
+}
+
+std::vector<std::string> TWeakNeutral4ptDisc::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+    
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+void TWeakNeutral4ptDisc::setup(void)
+{
+
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+void TWeakNeutral4ptDisc::execute(void)
+{
+    LOG(Message) << "Computing Weak Hamiltonian neutral disconnected contractions '" 
+                 << getName() << "' using quarks '" << par().q1 << "', '" 
+                 << par().q2 << ", '" << par().q3 << "' and '" << par().q4 
+                 << "'." << std::endl;
+
+    CorrWriter             writer(par().output);
+    PropagatorField &q1 = *env().template getObject<PropagatorField>(par().q1);
+    PropagatorField &q2 = *env().template getObject<PropagatorField>(par().q2);
+    PropagatorField &q3 = *env().template getObject<PropagatorField>(par().q3);
+    PropagatorField &q4 = *env().template getObject<PropagatorField>(par().q4);
+    Gamma g5            = Gamma(Gamma::Algebra::Gamma5);
+    LatticeComplex        expbuf(env().getGrid());
+    std::vector<TComplex> corrbuf;
+    std::vector<Result>   result(n_neut_disc_diag);
+    unsigned int ndim   = env().getNd();
+
+    PropagatorField              tmp(env().getGrid());
+    std::vector<PropagatorField> meson(ndim, tmp);
+    std::vector<PropagatorField> loop(ndim, tmp);
+    LatticeComplex               curr(env().getGrid());
+
+    // Setup for type 1 contractions.
+    for (int mu = 0; mu < ndim; ++mu)
+    {
+        meson[mu] = MAKE_DISC_MESON(q1, q2, GammaL(Gamma::gmu[mu]));
+        loop[mu] = MAKE_DISC_LOOP(q4, GammaL(Gamma::gmu[mu]));
+    }
+    curr = MAKE_DISC_CURR(q3, GammaL(Gamma::Algebra::Gamma5));
+
+    // Perform type 1 contractions.    
+    SUM_MU(expbuf, trace(meson[mu]*loop[mu]))
+    expbuf *= curr;
+    MAKE_DIAG(expbuf, corrbuf, result[neut_disc_1_diag], "HW_disc0_1")
+
+    // Perform type 2 contractions.
+    SUM_MU(expbuf, trace(meson[mu])*trace(loop[mu]))
+    expbuf *= curr;
+    MAKE_DIAG(expbuf, corrbuf, result[neut_disc_2_diag], "HW_disc0_2")
+
+    write(writer, "HW_disc0", result);
+}

extras/Hadrons/Modules/MContraction/WeakNeutral4ptDisc.hpp

@@ -0,0 +1,59 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MContraction/WeakNeutral4ptDisc.hpp
+
+Copyright (C) 2017
+
+Author: Andrew Lawson    <andrew.lawson1991@gmail.com>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef Hadrons_MContraction_WeakNeutral4ptDisc_hpp_
+#define Hadrons_MContraction_WeakNeutral4ptDisc_hpp_
+
+#include <Grid/Hadrons/Modules/MContraction/WeakHamiltonian.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/******************************************************************************
+ *                         WeakNeutral4ptDisc                                 *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MContraction)
+
+enum
+{
+    neut_disc_1_diag = 0,
+    neut_disc_2_diag = 1,
+    n_neut_disc_diag = 2
+};
+
+// Neutral 4pt disconnected subdiagram contractions.
+#define MAKE_DISC_MESON(Q_1, Q_2, gamma) (Q_1*adj(Q_2)*g5*gamma)
+#define MAKE_DISC_LOOP(Q_LOOP, gamma) (Q_LOOP*gamma)
+#define MAKE_DISC_CURR(Q_c, gamma) (trace(Q_c*gamma))
+
+MAKE_WEAK_MODULE(WeakNeutral4ptDisc)
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MContraction_WeakNeutral4ptDisc_hpp_

extras/Hadrons/Modules/MFermion/GaugeProp.hpp

@@ -1,34 +1,5 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid 
-
-Source file: extras/Hadrons/Modules/Quark.hpp
-
-Copyright (C) 2015
-Copyright (C) 2016
-
-Author: Antonin Portelli <antonin.portelli@me.com>
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution directory
-*************************************************************************************/
-/*  END LEGAL */
-
-#ifndef Hadrons_Quark_hpp_
-#define Hadrons_Quark_hpp_
+#ifndef Hadrons_MFermion_GaugeProp_hpp_
+#define Hadrons_MFermion_GaugeProp_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -37,27 +8,29 @@ See the full license in the file "LICENSE" in the top level distribution directo
 BEGIN_HADRONS_NAMESPACE
 
 /******************************************************************************
- *                               TQuark                                       *
+ *                                GaugeProp                                   *
  ******************************************************************************/
-class QuarkPar: Serializable
+BEGIN_MODULE_NAMESPACE(MFermion)
+
+class GaugePropPar: Serializable
 {
 public:
-    GRID_SERIALIZABLE_CLASS_MEMBERS(QuarkPar,
+    GRID_SERIALIZABLE_CLASS_MEMBERS(GaugePropPar,
                                     std::string, source,
                                     std::string, solver);
 };
 
 template <typename FImpl>
-class TQuark: public Module<QuarkPar>
+class TGaugeProp: public Module<GaugePropPar>
 {
 public:
-    TYPE_ALIASES(FImpl,);
+    FGS_TYPE_ALIASES(FImpl,);
 public:
     // constructor
-    TQuark(const std::string name);
+    TGaugeProp(const std::string name);
     // destructor
-    virtual ~TQuark(void) = default;
-    // dependencies/products
+    virtual ~TGaugeProp(void) = default;
+    // dependency relation
     virtual std::vector<std::string> getInput(void);
     virtual std::vector<std::string> getOutput(void);
     // setup
@@ -69,20 +42,20 @@ private:
     SolverFn     *solver_{nullptr};
 };
 
-MODULE_REGISTER(Quark, TQuark<FIMPL>);
+MODULE_REGISTER_NS(GaugeProp, TGaugeProp<FIMPL>, MFermion);
 
 /******************************************************************************
- *                          TQuark implementation                             *
+ *                      TGaugeProp implementation                             *
  ******************************************************************************/
 // constructor /////////////////////////////////////////////////////////////////
 template <typename FImpl>
-TQuark<FImpl>::TQuark(const std::string name)
-: Module(name)
+TGaugeProp<FImpl>::TGaugeProp(const std::string name)
+: Module<GaugePropPar>(name)
 {}
 
 // dependencies/products ///////////////////////////////////////////////////////
 template <typename FImpl>
-std::vector<std::string> TQuark<FImpl>::getInput(void)
+std::vector<std::string> TGaugeProp<FImpl>::getInput(void)
 {
     std::vector<std::string> in = {par().source, par().solver};
     
@@ -90,7 +63,7 @@ std::vector<std::string> TQuark<FImpl>::getInput(void)
 }
 
 template <typename FImpl>
-std::vector<std::string> TQuark<FImpl>::getOutput(void)
+std::vector<std::string> TGaugeProp<FImpl>::getOutput(void)
 {
     std::vector<std::string> out = {getName(), getName() + "_5d"};
     
@@ -99,7 +72,7 @@ std::vector<std::string> TQuark<FImpl>::getOutput(void)
 
 // setup ///////////////////////////////////////////////////////////////////////
 template <typename FImpl>
-void TQuark<FImpl>::setup(void)
+void TGaugeProp<FImpl>::setup(void)
 {
     Ls_ = env().getObjectLs(par().solver);
     env().template registerLattice<PropagatorField>(getName());
@@ -111,13 +84,13 @@ void TQuark<FImpl>::setup(void)
 
 // execution ///////////////////////////////////////////////////////////////////
 template <typename FImpl>
-void TQuark<FImpl>::execute(void)
+void TGaugeProp<FImpl>::execute(void)
 {
     LOG(Message) << "Computing quark propagator '" << getName() << "'"
-                 << std::endl;
+    << std::endl;
     
     FermionField    source(env().getGrid(Ls_)), sol(env().getGrid(Ls_)),
-                    tmp(env().getGrid());
+    tmp(env().getGrid());
     std::string     propName = (Ls_ == 1) ? getName() : (getName() + "_5d");
     PropagatorField &prop    = *env().template createLattice<PropagatorField>(propName);
     PropagatorField &fullSrc = *env().template getObject<PropagatorField>(par().source);
@@ -128,7 +101,7 @@ void TQuark<FImpl>::execute(void)
     }
     
     LOG(Message) << "Inverting using solver '" << par().solver
-                 << "' on source '" << par().source << "'" << std::endl;
+    << "' on source '" << par().source << "'" << std::endl;
     for (unsigned int s = 0; s < Ns; ++s)
     for (unsigned int c = 0; c < Nc; ++c)
     {
@@ -170,16 +143,18 @@ void TQuark<FImpl>::execute(void)
         if (Ls_ > 1)
         {
             PropagatorField &p4d =
-                *env().template getObject<PropagatorField>(getName());
+            *env().template getObject<PropagatorField>(getName());
             
             axpby_ssp_pminus(sol, 0., sol, 1., sol, 0, 0);
-            axpby_ssp_pplus(sol, 0., sol, 1., sol, 0, Ls_-1);
+            axpby_ssp_pplus(sol, 1., sol, 1., sol, 0, Ls_-1);
             ExtractSlice(tmp, sol, 0, 0);
             FermToProp(p4d, tmp, s, c);
         }
     }
 }
 
+END_MODULE_NAMESPACE
+
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons_Quark_hpp_
+#endif // Hadrons_MFermion_GaugeProp_hpp_

extras/Hadrons/Modules/MGauge/Load.cc

@@ -65,7 +65,7 @@ void TLoad::setup(void)
 // execution ///////////////////////////////////////////////////////////////////
 void TLoad::execute(void)
 {
-    NerscField  header;
+    FieldMetaData  header;
     std::string fileName = par().file + "."
                            + std::to_string(env().getTrajectory());
     
@@ -74,5 +74,5 @@ void TLoad::execute(void)
     LatticeGaugeField &U = *env().createLattice<LatticeGaugeField>(getName());
     NerscIO::readConfiguration(U, header, fileName);
     LOG(Message) << "NERSC header:" << std::endl;
-    dump_nersc_header(header, LOG(Message));
+    dump_meta_data(header, LOG(Message));
 }

extras/Hadrons/Modules/MGauge/Load.hpp

@@ -27,8 +27,8 @@ See the full license in the file "LICENSE" in the top level distribution directo
 *************************************************************************************/
 /*  END LEGAL */
 
-#ifndef Hadrons_Load_hpp_
-#define Hadrons_Load_hpp_
+#ifndef Hadrons_MGauge_Load_hpp_
+#define Hadrons_MGauge_Load_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -70,4 +70,4 @@ END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons_Load_hpp_
+#endif // Hadrons_MGauge_Load_hpp_

extras/Hadrons/Modules/MGauge/Random.hpp

@@ -27,8 +27,8 @@ See the full license in the file "LICENSE" in the top level distribution directo
 *************************************************************************************/
 /*  END LEGAL */
 
-#ifndef Hadrons_Random_hpp_
-#define Hadrons_Random_hpp_
+#ifndef Hadrons_MGauge_Random_hpp_
+#define Hadrons_MGauge_Random_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -63,4 +63,4 @@ END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons_Random_hpp_
+#endif // Hadrons_MGauge_Random_hpp_

extras/Hadrons/Modules/MGauge/StochEm.cc

@@ -0,0 +1,88 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MGauge/StochEm.cc
+
+Copyright (C) 2015
+Copyright (C) 2016
+
+
+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/Hadrons/Modules/MGauge/StochEm.hpp>
+
+using namespace Grid;
+using namespace Hadrons;
+using namespace MGauge;
+
+/******************************************************************************
+*                  TStochEm implementation                             *
+******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+TStochEm::TStochEm(const std::string name)
+: Module<StochEmPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+std::vector<std::string> TStochEm::getInput(void)
+{
+    std::vector<std::string> in;
+    
+    return in;
+}
+
+std::vector<std::string> TStochEm::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+    
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+void TStochEm::setup(void)
+{
+    if (!env().hasRegisteredObject("_" + getName() + "_weight"))
+    {
+        env().registerLattice<EmComp>("_" + getName() + "_weight");
+    }
+    env().registerLattice<EmField>(getName());
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+void TStochEm::execute(void)
+{
+    PhotonR photon(par().gauge, par().zmScheme);
+    EmField &a = *env().createLattice<EmField>(getName());
+    EmComp  *w;
+    
+    if (!env().hasCreatedObject("_" + getName() + "_weight"))
+    {
+        LOG(Message) << "Caching stochatic EM potential weight (gauge: "
+                     << par().gauge << ", zero-mode scheme: "
+                     << par().zmScheme << ")..." << std::endl;
+        w = env().createLattice<EmComp>("_" + getName() + "_weight");
+        photon.StochasticWeight(*w);
+    }
+    else
+    {
+        w = env().getObject<EmComp>("_" + getName() + "_weight");
+    }
+    LOG(Message) << "Generating stochatic EM potential..." << std::endl;
+    photon.StochasticField(a, *env().get4dRng(), *w);
+}

extras/Hadrons/Modules/MGauge/StochEm.hpp

@@ -0,0 +1,75 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MGauge/StochEm.hpp
+
+Copyright (C) 2015
+Copyright (C) 2016
+
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef Hadrons_MGauge_StochEm_hpp_
+#define Hadrons_MGauge_StochEm_hpp_
+
+#include <Grid/Hadrons/Global.hpp>
+#include <Grid/Hadrons/Module.hpp>
+#include <Grid/Hadrons/ModuleFactory.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/******************************************************************************
+ *                         StochEm                                 *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MGauge)
+
+class StochEmPar: Serializable
+{
+public:
+    GRID_SERIALIZABLE_CLASS_MEMBERS(StochEmPar,
+                                    PhotonR::Gauge,    gauge,
+                                    PhotonR::ZmScheme, zmScheme);
+};
+
+class TStochEm: public Module<StochEmPar>
+{
+public:
+    typedef PhotonR::GaugeField     EmField;
+    typedef PhotonR::GaugeLinkField EmComp;
+public:
+    // constructor
+    TStochEm(const std::string name);
+    // destructor
+    virtual ~TStochEm(void) = default;
+    // dependency relation
+    virtual std::vector<std::string> getInput(void);
+    virtual std::vector<std::string> getOutput(void);
+    // setup
+    virtual void setup(void);
+    // execution
+    virtual void execute(void);
+};
+
+MODULE_REGISTER_NS(StochEm, TStochEm, MGauge);
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MGauge_StochEm_hpp_

extras/Hadrons/Modules/MGauge/Unit.hpp

@@ -27,8 +27,8 @@ See the full license in the file "LICENSE" in the top level distribution directo
 *************************************************************************************/
 /*  END LEGAL */
 
-#ifndef Hadrons_Unit_hpp_
-#define Hadrons_Unit_hpp_
+#ifndef Hadrons_MGauge_Unit_hpp_
+#define Hadrons_MGauge_Unit_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -63,4 +63,4 @@ END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons_Unit_hpp_
+#endif // Hadrons_MGauge_Unit_hpp_

extras/Hadrons/Modules/MLoop/NoiseLoop.hpp

@@ -0,0 +1,132 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MLoop/NoiseLoop.hpp
+
+Copyright (C) 2016
+
+Author: Andrew Lawson <andrew.lawson1991@gmail.com>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef Hadrons_MLoop_NoiseLoop_hpp_
+#define Hadrons_MLoop_NoiseLoop_hpp_
+
+#include <Grid/Hadrons/Global.hpp>
+#include <Grid/Hadrons/Module.hpp>
+#include <Grid/Hadrons/ModuleFactory.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/*
+ 
+ Noise loop propagator
+ -----------------------------
+ * loop_x = q_x * adj(eta_x)
+ 
+ * options:
+ - q = Result of inversion on noise source.
+ - eta = noise source.
+
+ */
+
+
+/******************************************************************************
+ *                         NoiseLoop                                          *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MLoop)
+
+class NoiseLoopPar: Serializable
+{
+public:
+    GRID_SERIALIZABLE_CLASS_MEMBERS(NoiseLoopPar,
+                                    std::string, q,
+                                    std::string, eta);
+};
+
+template <typename FImpl>
+class TNoiseLoop: public Module<NoiseLoopPar>
+{
+public:
+    FERM_TYPE_ALIASES(FImpl,);
+public:
+    // constructor
+    TNoiseLoop(const std::string name);
+    // destructor
+    virtual ~TNoiseLoop(void) = default;
+    // dependency relation
+    virtual std::vector<std::string> getInput(void);
+    virtual std::vector<std::string> getOutput(void);
+    // setup
+    virtual void setup(void);
+    // execution
+    virtual void execute(void);
+};
+
+MODULE_REGISTER_NS(NoiseLoop, TNoiseLoop<FIMPL>, MLoop);
+
+/******************************************************************************
+ *                 TNoiseLoop implementation                                  *
+ ******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+template <typename FImpl>
+TNoiseLoop<FImpl>::TNoiseLoop(const std::string name)
+: Module<NoiseLoopPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+template <typename FImpl>
+std::vector<std::string> TNoiseLoop<FImpl>::getInput(void)
+{
+    std::vector<std::string> in = {par().q, par().eta};
+    
+    return in;
+}
+
+template <typename FImpl>
+std::vector<std::string> TNoiseLoop<FImpl>::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+    
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+template <typename FImpl>
+void TNoiseLoop<FImpl>::setup(void)
+{
+    env().template registerLattice<PropagatorField>(getName());
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+template <typename FImpl>
+void TNoiseLoop<FImpl>::execute(void)
+{
+    PropagatorField &loop = *env().template createLattice<PropagatorField>(getName());
+    PropagatorField &q    = *env().template getObject<PropagatorField>(par().q);
+    PropagatorField &eta  = *env().template getObject<PropagatorField>(par().eta);
+    loop = q*adj(eta);
+}
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MLoop_NoiseLoop_hpp_

extras/Hadrons/Modules/MScalar/ChargedProp.cc

@@ -0,0 +1,226 @@
+#include <Grid/Hadrons/Modules/MScalar/ChargedProp.hpp>
+#include <Grid/Hadrons/Modules/MScalar/Scalar.hpp>
+
+using namespace Grid;
+using namespace Hadrons;
+using namespace MScalar;
+
+/******************************************************************************
+*                     TChargedProp implementation                             *
+******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+TChargedProp::TChargedProp(const std::string name)
+: Module<ChargedPropPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+std::vector<std::string> TChargedProp::getInput(void)
+{
+    std::vector<std::string> in = {par().source, par().emField};
+    
+    return in;
+}
+
+std::vector<std::string> TChargedProp::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+    
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+void TChargedProp::setup(void)
+{
+    freeMomPropName_ = FREEMOMPROP(par().mass);
+    phaseName_.clear();
+    for (unsigned int mu = 0; mu < env().getNd(); ++mu)
+    {
+        phaseName_.push_back("_shiftphase_" + std::to_string(mu));
+    }
+    GFSrcName_ = "_" + getName() + "_DinvSrc";
+    if (!env().hasRegisteredObject(freeMomPropName_))
+    {
+        env().registerLattice<ScalarField>(freeMomPropName_);
+    }
+    if (!env().hasRegisteredObject(phaseName_[0]))
+    {
+        for (unsigned int mu = 0; mu < env().getNd(); ++mu)
+        {
+            env().registerLattice<ScalarField>(phaseName_[mu]);
+        }
+    }
+    if (!env().hasRegisteredObject(GFSrcName_))
+    {
+        env().registerLattice<ScalarField>(GFSrcName_);
+    }
+    env().registerLattice<ScalarField>(getName());
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+void TChargedProp::execute(void)
+{
+    // CACHING ANALYTIC EXPRESSIONS
+    ScalarField &source = *env().getObject<ScalarField>(par().source);
+    Complex     ci(0.0,1.0);
+    FFT         fft(env().getGrid());
+    
+    // cache free scalar propagator
+    if (!env().hasCreatedObject(freeMomPropName_))
+    {
+        LOG(Message) << "Caching momentum space free scalar propagator"
+                     << " (mass= " << par().mass << ")..." << std::endl;
+        freeMomProp_ = env().createLattice<ScalarField>(freeMomPropName_);
+        SIMPL::MomentumSpacePropagator(*freeMomProp_, par().mass);
+    }
+    else
+    {
+        freeMomProp_ = env().getObject<ScalarField>(freeMomPropName_);
+    }
+    // cache G*F*src
+    if (!env().hasCreatedObject(GFSrcName_))
+        
+    {
+        GFSrc_ = env().createLattice<ScalarField>(GFSrcName_);
+        fft.FFT_all_dim(*GFSrc_, source, FFT::forward);
+        *GFSrc_ = (*freeMomProp_)*(*GFSrc_);
+    }
+    else
+    {
+        GFSrc_ = env().getObject<ScalarField>(GFSrcName_);
+    }
+    // cache phases
+    if (!env().hasCreatedObject(phaseName_[0]))
+    {
+        std::vector<int> &l = env().getGrid()->_fdimensions;
+        
+        LOG(Message) << "Caching shift phases..." << std::endl;
+        for (unsigned int mu = 0; mu < env().getNd(); ++mu)
+        {
+            Real    twoPiL = M_PI*2./l[mu];
+            
+            phase_.push_back(env().createLattice<ScalarField>(phaseName_[mu]));
+            LatticeCoordinate(*(phase_[mu]), mu);
+            *(phase_[mu]) = exp(ci*twoPiL*(*(phase_[mu])));
+        }
+    }
+    else
+    {
+        for (unsigned int mu = 0; mu < env().getNd(); ++mu)
+        {
+            phase_.push_back(env().getObject<ScalarField>(phaseName_[mu]));
+        }
+    }
+
+    // PROPAGATOR CALCULATION
+    LOG(Message) << "Computing charged scalar propagator"
+                 << " (mass= " << par().mass
+                 << ", charge= " << par().charge << ")..." << std::endl;
+    
+    ScalarField &prop   = *env().createLattice<ScalarField>(getName());
+    ScalarField buf(env().getGrid());
+    ScalarField &GFSrc = *GFSrc_, &G = *freeMomProp_;
+    double      q = par().charge;
+    
+    // G*F*Src
+    prop = GFSrc;
+
+    // - q*G*momD1*G*F*Src (momD1 = F*D1*Finv)
+    buf = GFSrc;
+    momD1(buf, fft);
+    buf = G*buf;
+    prop = prop - q*buf;
+
+    // + q^2*G*momD1*G*momD1*G*F*Src (here buf = G*momD1*G*F*Src)
+    momD1(buf, fft);
+    prop = prop + q*q*G*buf;
+
+    // - q^2*G*momD2*G*F*Src (momD2 = F*D2*Finv)
+    buf = GFSrc;
+    momD2(buf, fft);
+    prop = prop - q*q*G*buf;
+
+    // final FT
+    fft.FFT_all_dim(prop, prop, FFT::backward);
+    
+    // OUTPUT IF NECESSARY
+    if (!par().output.empty())
+    {
+        std::string           filename = par().output + "." +
+                                         std::to_string(env().getTrajectory());
+        
+        LOG(Message) << "Saving zero-momentum projection to '"
+                     << filename << "'..." << std::endl;
+        
+        CorrWriter            writer(filename);
+        std::vector<TComplex> vecBuf;
+        std::vector<Complex>  result;
+        
+        sliceSum(prop, vecBuf, Tp);
+        result.resize(vecBuf.size());
+        for (unsigned int t = 0; t < vecBuf.size(); ++t)
+        {
+            result[t] = TensorRemove(vecBuf[t]);
+        }
+        write(writer, "charge", q);
+        write(writer, "prop", result);
+    }
+}
+
+void TChargedProp::momD1(ScalarField &s, FFT &fft)
+{
+    EmField     &A = *env().getObject<EmField>(par().emField);
+    ScalarField buf(env().getGrid()), result(env().getGrid()),
+                Amu(env().getGrid());
+    Complex     ci(0.0,1.0);
+
+    result = zero;
+
+    for (unsigned int mu = 0; mu < env().getNd(); ++mu)
+    {
+        Amu = peekLorentz(A, mu);
+        buf = (*phase_[mu])*s;
+        fft.FFT_all_dim(buf, buf, FFT::backward);
+        buf = Amu*buf;
+        fft.FFT_all_dim(buf, buf, FFT::forward);
+        result = result - ci*buf;
+    }
+    fft.FFT_all_dim(s, s, FFT::backward);
+    for (unsigned int mu = 0; mu < env().getNd(); ++mu)
+    {
+        Amu = peekLorentz(A, mu);
+        buf = Amu*s;
+        fft.FFT_all_dim(buf, buf, FFT::forward);
+        result = result + ci*adj(*phase_[mu])*buf;
+    }
+
+    s = result;
+}
+
+void TChargedProp::momD2(ScalarField &s, FFT &fft)
+{
+    EmField     &A = *env().getObject<EmField>(par().emField);
+    ScalarField buf(env().getGrid()), result(env().getGrid()),
+                Amu(env().getGrid());
+
+    result = zero;
+    
+    for (unsigned int mu = 0; mu < env().getNd(); ++mu)
+    {
+        Amu = peekLorentz(A, mu);
+        buf = (*phase_[mu])*s;
+        fft.FFT_all_dim(buf, buf, FFT::backward);
+        buf = Amu*Amu*buf;
+        fft.FFT_all_dim(buf, buf, FFT::forward);
+        result = result + .5*buf;
+    }
+    fft.FFT_all_dim(s, s, FFT::backward);
+    for (unsigned int mu = 0; mu < env().getNd(); ++mu)
+    {
+        Amu = peekLorentz(A, mu);        
+        buf = Amu*Amu*s;
+        fft.FFT_all_dim(buf, buf, FFT::forward);
+        result = result + .5*adj(*phase_[mu])*buf;
+    }
+
+    s = result;
+}

extras/Hadrons/Modules/MScalar/ChargedProp.hpp

@@ -0,0 +1,61 @@
+#ifndef Hadrons_MScalar_ChargedProp_hpp_
+#define Hadrons_MScalar_ChargedProp_hpp_
+
+#include <Grid/Hadrons/Global.hpp>
+#include <Grid/Hadrons/Module.hpp>
+#include <Grid/Hadrons/ModuleFactory.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/******************************************************************************
+ *                       Charged scalar propagator                            *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MScalar)
+
+class ChargedPropPar: Serializable
+{
+public:
+    GRID_SERIALIZABLE_CLASS_MEMBERS(ChargedPropPar,
+                                    std::string, emField,
+                                    std::string, source,
+                                    double,      mass,
+                                    double,      charge,
+                                    std::string, output);
+};
+
+class TChargedProp: public Module<ChargedPropPar>
+{
+public:
+    SCALAR_TYPE_ALIASES(SIMPL,);
+    typedef PhotonR::GaugeField     EmField;
+    typedef PhotonR::GaugeLinkField EmComp;
+public:
+    // constructor
+    TChargedProp(const std::string name);
+    // destructor
+    virtual ~TChargedProp(void) = default;
+    // dependency relation
+    virtual std::vector<std::string> getInput(void);
+    virtual std::vector<std::string> getOutput(void);
+    // setup
+    virtual void setup(void);
+    // execution
+    virtual void execute(void);
+private:
+    void momD1(ScalarField &s, FFT &fft);
+    void momD2(ScalarField &s, FFT &fft);
+private:
+    std::string                freeMomPropName_, GFSrcName_;
+    std::vector<std::string>   phaseName_;
+    ScalarField                *freeMomProp_, *GFSrc_;
+    std::vector<ScalarField *> phase_;
+    EmField                    *A;
+};
+
+MODULE_REGISTER_NS(ChargedProp, TChargedProp, MScalar);
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MScalar_ChargedProp_hpp_

extras/Hadrons/Modules/MScalar/FreeProp.cc

@@ -0,0 +1,79 @@
+#include <Grid/Hadrons/Modules/MScalar/FreeProp.hpp>
+#include <Grid/Hadrons/Modules/MScalar/Scalar.hpp>
+
+using namespace Grid;
+using namespace Hadrons;
+using namespace MScalar;
+
+/******************************************************************************
+*                        TFreeProp implementation                             *
+******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+TFreeProp::TFreeProp(const std::string name)
+: Module<FreePropPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+std::vector<std::string> TFreeProp::getInput(void)
+{
+    std::vector<std::string> in = {par().source};
+    
+    return in;
+}
+
+std::vector<std::string> TFreeProp::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+    
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+void TFreeProp::setup(void)
+{
+    freeMomPropName_ = FREEMOMPROP(par().mass);
+    
+    if (!env().hasRegisteredObject(freeMomPropName_))
+    {
+        env().registerLattice<ScalarField>(freeMomPropName_);
+    }
+    env().registerLattice<ScalarField>(getName());
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+void TFreeProp::execute(void)
+{
+    ScalarField &prop   = *env().createLattice<ScalarField>(getName());
+    ScalarField &source = *env().getObject<ScalarField>(par().source);
+    ScalarField *freeMomProp;
+
+    if (!env().hasCreatedObject(freeMomPropName_))
+    {
+        LOG(Message) << "Caching momentum space free scalar propagator"
+                     << " (mass= " << par().mass << ")..." << std::endl;
+        freeMomProp = env().createLattice<ScalarField>(freeMomPropName_);
+        SIMPL::MomentumSpacePropagator(*freeMomProp, par().mass);
+    }
+    else
+    {
+        freeMomProp = env().getObject<ScalarField>(freeMomPropName_);
+    }
+    LOG(Message) << "Computing free scalar propagator..." << std::endl;
+    SIMPL::FreePropagator(source, prop, *freeMomProp);
+    
+    if (!par().output.empty())
+    {
+        TextWriter            writer(par().output + "." +
+                                     std::to_string(env().getTrajectory()));
+        std::vector<TComplex> buf;
+        std::vector<Complex>  result;
+        
+        sliceSum(prop, buf, Tp);
+        result.resize(buf.size());
+        for (unsigned int t = 0; t < buf.size(); ++t)
+        {
+            result[t] = TensorRemove(buf[t]);
+        }
+        write(writer, "prop", result);
+    }
+}

extras/Hadrons/Modules/MScalar/FreeProp.hpp

@@ -0,0 +1,50 @@
+#ifndef Hadrons_MScalar_FreeProp_hpp_
+#define Hadrons_MScalar_FreeProp_hpp_
+
+#include <Grid/Hadrons/Global.hpp>
+#include <Grid/Hadrons/Module.hpp>
+#include <Grid/Hadrons/ModuleFactory.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/******************************************************************************
+ *                               FreeProp                                     *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MScalar)
+
+class FreePropPar: Serializable
+{
+public:
+    GRID_SERIALIZABLE_CLASS_MEMBERS(FreePropPar,
+                                    std::string, source,
+                                    double,      mass,
+                                    std::string, output);
+};
+
+class TFreeProp: public Module<FreePropPar>
+{
+public:
+    SCALAR_TYPE_ALIASES(SIMPL,);
+public:
+    // constructor
+    TFreeProp(const std::string name);
+    // destructor
+    virtual ~TFreeProp(void) = default;
+    // dependency relation
+    virtual std::vector<std::string> getInput(void);
+    virtual std::vector<std::string> getOutput(void);
+    // setup
+    virtual void setup(void);
+    // execution
+    virtual void execute(void);
+private:
+    std::string freeMomPropName_;
+};
+
+MODULE_REGISTER_NS(FreeProp, TFreeProp, MScalar);
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MScalar_FreeProp_hpp_

extras/Hadrons/Modules/MScalar/Scalar.hpp

@@ -0,0 +1,6 @@
+#ifndef Hadrons_Scalar_hpp_
+#define Hadrons_Scalar_hpp_
+
+#define FREEMOMPROP(m) "_scalar_mom_prop_" + std::to_string(m)
+
+#endif // Hadrons_Scalar_hpp_

extras/Hadrons/Modules/MSink/Point.hpp

@@ -0,0 +1,114 @@
+#ifndef Hadrons_MSink_Point_hpp_
+#define Hadrons_MSink_Point_hpp_
+
+#include <Grid/Hadrons/Global.hpp>
+#include <Grid/Hadrons/Module.hpp>
+#include <Grid/Hadrons/ModuleFactory.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/******************************************************************************
+ *                                   Point                                    *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MSink)
+
+class PointPar: Serializable
+{
+public:
+    GRID_SERIALIZABLE_CLASS_MEMBERS(PointPar,
+                                    std::string, mom);
+};
+
+template <typename FImpl>
+class TPoint: public Module<PointPar>
+{
+public:
+    FERM_TYPE_ALIASES(FImpl,);
+    SINK_TYPE_ALIASES();
+public:
+    // constructor
+    TPoint(const std::string name);
+    // destructor
+    virtual ~TPoint(void) = default;
+    // dependency relation
+    virtual std::vector<std::string> getInput(void);
+    virtual std::vector<std::string> getOutput(void);
+    // setup
+    virtual void setup(void);
+    // execution
+    virtual void execute(void);
+};
+
+MODULE_REGISTER_NS(Point,       TPoint<FIMPL>,        MSink);
+MODULE_REGISTER_NS(ScalarPoint, TPoint<ScalarImplCR>, MSink);
+
+/******************************************************************************
+ *                          TPoint implementation                             *
+ ******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+template <typename FImpl>
+TPoint<FImpl>::TPoint(const std::string name)
+: Module<PointPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+template <typename FImpl>
+std::vector<std::string> TPoint<FImpl>::getInput(void)
+{
+    std::vector<std::string> in;
+    
+    return in;
+}
+
+template <typename FImpl>
+std::vector<std::string> TPoint<FImpl>::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+    
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+template <typename FImpl>
+void TPoint<FImpl>::setup(void)
+{
+    unsigned int size;
+    
+    size = env().template lattice4dSize<LatticeComplex>();
+    env().registerObject(getName(), size);
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+template <typename FImpl>
+void TPoint<FImpl>::execute(void)
+{
+    std::vector<Real> p = strToVec<Real>(par().mom);
+    LatticeComplex    ph(env().getGrid()), coor(env().getGrid());
+    Complex           i(0.0,1.0);
+    
+    LOG(Message) << "Setting up point sink function for momentum ["
+                 << par().mom << "]" << std::endl;
+    ph = zero;
+    for(unsigned int mu = 0; mu < env().getNd(); mu++)
+    {
+        LatticeCoordinate(coor, mu);
+        ph = ph + (p[mu]/env().getGrid()->_fdimensions[mu])*coor;
+    }
+    ph = exp((Real)(2*M_PI)*i*ph);
+    auto sink = [ph](const PropagatorField &field)
+    {
+        SlicedPropagator res;
+        PropagatorField  tmp = ph*field;
+        
+        sliceSum(tmp, res, Tp);
+        
+        return res;
+    };
+    env().setObject(getName(), new SinkFn(sink));
+}
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MSink_Point_hpp_

extras/Hadrons/Modules/MSolver/RBPrecCG.hpp

@@ -27,8 +27,8 @@ See the full license in the file "LICENSE" in the top level distribution directo
 *************************************************************************************/
 /*  END LEGAL */
 
-#ifndef Hadrons_RBPrecCG_hpp_
-#define Hadrons_RBPrecCG_hpp_
+#ifndef Hadrons_MSolver_RBPrecCG_hpp_
+#define Hadrons_MSolver_RBPrecCG_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -53,7 +53,7 @@ template <typename FImpl>
 class TRBPrecCG: public Module<RBPrecCGPar>
 {
 public:
-    TYPE_ALIASES(FImpl,);
+    FGS_TYPE_ALIASES(FImpl,);
 public:
     // constructor
     TRBPrecCG(const std::string name);
@@ -129,4 +129,4 @@ END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons_RBPrecCG_hpp_
+#endif // Hadrons_MSolver_RBPrecCG_hpp_

extras/Hadrons/Modules/MSource/Point.hpp

@@ -27,8 +27,8 @@ See the full license in the file "LICENSE" in the top level distribution directo
 *************************************************************************************/
 /*  END LEGAL */
 
-#ifndef Hadrons_Point_hpp_
-#define Hadrons_Point_hpp_
+#ifndef Hadrons_MSource_Point_hpp_
+#define Hadrons_MSource_Point_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -63,7 +63,7 @@ template <typename FImpl>
 class TPoint: public Module<PointPar>
 {
 public:
-    TYPE_ALIASES(FImpl,);
+    FERM_TYPE_ALIASES(FImpl,);
 public:
     // constructor
     TPoint(const std::string name);
@@ -78,7 +78,8 @@ public:
     virtual void execute(void);
 };
 
-MODULE_REGISTER_NS(Point, TPoint<FIMPL>, MSource);
+MODULE_REGISTER_NS(Point,       TPoint<FIMPL>,        MSource);
+MODULE_REGISTER_NS(ScalarPoint, TPoint<ScalarImplCR>, MSource);
 
 /******************************************************************************
  *                       TPoint template implementation                       *
@@ -132,4 +133,4 @@ END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons_Point_hpp_
+#endif // Hadrons_MSource_Point_hpp_

extras/Hadrons/Modules/MSource/SeqGamma.hpp

@@ -6,6 +6,7 @@ Source file: extras/Hadrons/Modules/MSource/SeqGamma.hpp
 
 Copyright (C) 2015
 Copyright (C) 2016
+Copyright (C) 2017
 
 Author: Antonin Portelli <antonin.portelli@me.com>
 
@@ -27,8 +28,8 @@ See the full license in the file "LICENSE" in the top level distribution directo
 *************************************************************************************/
 /*  END LEGAL */
 
-#ifndef Hadrons_SeqGamma_hpp_
-#define Hadrons_SeqGamma_hpp_
+#ifndef Hadrons_MSource_SeqGamma_hpp_
+#define Hadrons_MSource_SeqGamma_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -71,7 +72,7 @@ template <typename FImpl>
 class TSeqGamma: public Module<SeqGammaPar>
 {
 public:
-    TYPE_ALIASES(FImpl,);
+    FGS_TYPE_ALIASES(FImpl,);
 public:
     // constructor
     TSeqGamma(const std::string name);
@@ -149,9 +150,9 @@ void TSeqGamma<FImpl>::execute(void)
     for(unsigned int mu = 0; mu < env().getNd(); mu++)
     {
         LatticeCoordinate(coor, mu);
-        ph = ph + p[mu]*coor;
+        ph = ph + p[mu]*coor*((1./(env().getGrid()->_fdimensions[mu])));
     }
-    ph = exp(i*ph);
+    ph = exp((Real)(2*M_PI)*i*ph);
     LatticeCoordinate(t, Tp);
     src = where((t >= par().tA) and (t <= par().tB), ph*(g*q), 0.*q);
 }
@@ -160,4 +161,4 @@ END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons_SeqGamma_hpp_
+#endif // Hadrons_MSource_SeqGamma_hpp_

extras/Hadrons/Modules/MSource/Wall.hpp

@@ -0,0 +1,147 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MSource/Wall.hpp
+
+Copyright (C) 2017
+
+Author: Andrew Lawson <andrew.lawson1991@gmail.com>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef Hadrons_MSource_WallSource_hpp_
+#define Hadrons_MSource_WallSource_hpp_
+
+#include <Grid/Hadrons/Global.hpp>
+#include <Grid/Hadrons/Module.hpp>
+#include <Grid/Hadrons/ModuleFactory.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/*
+ 
+ Wall source
+ -----------------------------
+ * src_x = delta(x_3 - tW) * exp(i x.mom)
+ 
+ * options:
+ - tW: source timeslice (integer)
+ - mom: momentum insertion, space-separated float sequence (e.g ".1 .2 1. 0.")
+ 
+ */
+
+/******************************************************************************
+ *                         Wall                                               *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MSource)
+
+class WallPar: Serializable
+{
+public:
+    GRID_SERIALIZABLE_CLASS_MEMBERS(WallPar,
+                                    unsigned int, tW,
+                                    std::string, mom);
+};
+
+template <typename FImpl>
+class TWall: public Module<WallPar>
+{
+public:
+    FERM_TYPE_ALIASES(FImpl,);
+public:
+    // constructor
+    TWall(const std::string name);
+    // destructor
+    virtual ~TWall(void) = default;
+    // dependency relation
+    virtual std::vector<std::string> getInput(void);
+    virtual std::vector<std::string> getOutput(void);
+    // setup
+    virtual void setup(void);
+    // execution
+    virtual void execute(void);
+};
+
+MODULE_REGISTER_NS(Wall, TWall<FIMPL>, MSource);
+
+/******************************************************************************
+ *                 TWall implementation                                       *
+ ******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+template <typename FImpl>
+TWall<FImpl>::TWall(const std::string name)
+: Module<WallPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+template <typename FImpl>
+std::vector<std::string> TWall<FImpl>::getInput(void)
+{
+    std::vector<std::string> in;
+    
+    return in;
+}
+
+template <typename FImpl>
+std::vector<std::string> TWall<FImpl>::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+    
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+template <typename FImpl>
+void TWall<FImpl>::setup(void)
+{
+    env().template registerLattice<PropagatorField>(getName());
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+template <typename FImpl>
+void TWall<FImpl>::execute(void)
+{    
+    LOG(Message) << "Generating wall source at t = " << par().tW 
+                 << " with momentum " << par().mom << std::endl;
+    
+    PropagatorField &src = *env().template createLattice<PropagatorField>(getName());
+    Lattice<iScalar<vInteger>> t(env().getGrid());
+    LatticeComplex             ph(env().getGrid()), coor(env().getGrid());
+    std::vector<Real>          p;
+    Complex                    i(0.0,1.0);
+    
+    p  = strToVec<Real>(par().mom);
+    ph = zero;
+    for(unsigned int mu = 0; mu < Nd; mu++)
+    {
+        LatticeCoordinate(coor, mu);
+        ph = ph + p[mu]*coor*((1./(env().getGrid()->_fdimensions[mu])));
+    }
+    ph = exp((Real)(2*M_PI)*i*ph);
+    LatticeCoordinate(t, Tp);
+    src = 1.;
+    src = where((t == par().tW), src*ph, 0.*src);
+}
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MSource_WallSource_hpp_

extras/Hadrons/Modules/MSource/Z2.hpp

@@ -27,8 +27,8 @@ See the full license in the file "LICENSE" in the top level distribution directo
 *************************************************************************************/
 /*  END LEGAL */
 
-#ifndef Hadrons_Z2_hpp_
-#define Hadrons_Z2_hpp_
+#ifndef Hadrons_MSource_Z2_hpp_
+#define Hadrons_MSource_Z2_hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -67,7 +67,7 @@ template <typename FImpl>
 class TZ2: public Module<Z2Par>
 {
 public:
-    TYPE_ALIASES(FImpl,);
+    FERM_TYPE_ALIASES(FImpl,);
 public:
     // constructor
     TZ2(const std::string name);
@@ -82,7 +82,8 @@ public:
     virtual void execute(void);
 };
 
-MODULE_REGISTER_NS(Z2, TZ2<FIMPL>, MSource);
+MODULE_REGISTER_NS(Z2,       TZ2<FIMPL>,        MSource);
+MODULE_REGISTER_NS(ScalarZ2, TZ2<ScalarImplCR>, MSource);
 
 /******************************************************************************
  *                       TZ2 template implementation                          *
@@ -148,4 +149,4 @@ END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons_Z2_hpp_
+#endif // Hadrons_MSource_Z2_hpp_

extras/Hadrons/Modules/templates/Module_in_NS.hpp.template

@@ -1,5 +1,5 @@
-#ifndef Hadrons____FILEBASENAME____hpp_
-#define Hadrons____FILEBASENAME____hpp_
+#ifndef Hadrons____NAMESPACE_______FILEBASENAME____hpp_
+#define Hadrons____NAMESPACE_______FILEBASENAME____hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -41,4 +41,4 @@ END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons____FILEBASENAME____hpp_
+#endif // Hadrons____NAMESPACE_______FILEBASENAME____hpp_

extras/Hadrons/Modules/templates/Module_tmp_in_NS.hpp.template

@@ -1,5 +1,5 @@
-#ifndef Hadrons____FILEBASENAME____hpp_
-#define Hadrons____FILEBASENAME____hpp_
+#ifndef Hadrons____NAMESPACE_______FILEBASENAME____hpp_
+#define Hadrons____NAMESPACE_______FILEBASENAME____hpp_
 
 #include <Grid/Hadrons/Global.hpp>
 #include <Grid/Hadrons/Module.hpp>
@@ -82,4 +82,4 @@ END_MODULE_NAMESPACE
 
 END_HADRONS_NAMESPACE
 
-#endif // Hadrons____FILEBASENAME____hpp_
+#endif // Hadrons____NAMESPACE_______FILEBASENAME____hpp_

extras/Hadrons/modules.inc

@@ -1,19 +1,38 @@
 modules_cc =\
+  Modules/MContraction/WeakHamiltonianEye.cc \
+  Modules/MContraction/WeakHamiltonianNonEye.cc \
+  Modules/MContraction/WeakNeutral4ptDisc.cc \
   Modules/MGauge/Load.cc \
   Modules/MGauge/Random.cc \
-  Modules/MGauge/Unit.cc
+  Modules/MGauge/StochEm.cc \
+  Modules/MGauge/Unit.cc \
+  Modules/MScalar/ChargedProp.cc \
+  Modules/MScalar/FreeProp.cc
 
 modules_hpp =\
   Modules/MAction/DWF.hpp \
   Modules/MAction/Wilson.hpp \
   Modules/MContraction/Baryon.hpp \
+  Modules/MContraction/DiscLoop.hpp \
+  Modules/MContraction/Gamma3pt.hpp \
   Modules/MContraction/Meson.hpp \
+  Modules/MContraction/WeakHamiltonian.hpp \
+  Modules/MContraction/WeakHamiltonianEye.hpp \
+  Modules/MContraction/WeakHamiltonianNonEye.hpp \
+  Modules/MContraction/WeakNeutral4ptDisc.hpp \
+  Modules/MFermion/GaugeProp.hpp \
   Modules/MGauge/Load.hpp \
   Modules/MGauge/Random.hpp \
+  Modules/MGauge/StochEm.hpp \
   Modules/MGauge/Unit.hpp \
+  Modules/MLoop/NoiseLoop.hpp \
+  Modules/MScalar/ChargedProp.hpp \
+  Modules/MScalar/FreeProp.hpp \
+  Modules/MScalar/Scalar.hpp \
+  Modules/MSink/Point.hpp \
   Modules/MSolver/RBPrecCG.hpp \
   Modules/MSource/Point.hpp \
   Modules/MSource/SeqGamma.hpp \
-  Modules/MSource/Z2.hpp \
-  Modules/Quark.hpp
+  Modules/MSource/Wall.hpp \
+  Modules/MSource/Z2.hpp
 

extras/qed-fvol/Global.cc

@@ -0,0 +1,11 @@
+#include <qed-fvol/Global.hpp>
+
+using namespace Grid;
+using namespace QCD;
+using namespace QedFVol;
+
+QedFVolLogger QedFVol::QedFVolLogError(1,"Error");
+QedFVolLogger QedFVol::QedFVolLogWarning(1,"Warning");
+QedFVolLogger QedFVol::QedFVolLogMessage(1,"Message");
+QedFVolLogger QedFVol::QedFVolLogIterative(1,"Iterative");
+QedFVolLogger QedFVol::QedFVolLogDebug(1,"Debug");

extras/qed-fvol/Global.hpp

@@ -0,0 +1,42 @@
+#ifndef QedFVol_Global_hpp_
+#define QedFVol_Global_hpp_
+
+#include <Grid/Grid.h>
+
+#define BEGIN_QEDFVOL_NAMESPACE \
+namespace Grid {\
+using namespace QCD;\
+namespace QedFVol {\
+using Grid::operator<<;
+#define END_QEDFVOL_NAMESPACE }}
+
+/* the 'using Grid::operator<<;' statement prevents a very nasty compilation
+ * error with GCC (clang compiles fine without it).
+ */
+
+BEGIN_QEDFVOL_NAMESPACE
+
+class QedFVolLogger: public Logger
+{
+public:
+    QedFVolLogger(int on, std::string nm): Logger("QedFVol", on, nm,
+                                                  GridLogColours, "BLACK"){};
+};
+
+#define LOG(channel) std::cout << QedFVolLog##channel
+#define QEDFVOL_ERROR(msg)\
+LOG(Error) << msg << " (" << __FUNCTION__ << " at " << __FILE__ << ":"\
+           << __LINE__ << ")" << std::endl;\
+abort();
+
+#define DEBUG_VAR(var) LOG(Debug) << #var << "= " << (var) << std::endl;
+
+extern QedFVolLogger QedFVolLogError;
+extern QedFVolLogger QedFVolLogWarning;
+extern QedFVolLogger QedFVolLogMessage;
+extern QedFVolLogger QedFVolLogIterative;
+extern QedFVolLogger QedFVolLogDebug;
+
+END_QEDFVOL_NAMESPACE
+
+#endif // QedFVol_Global_hpp_

extras/qed-fvol/Makefile.am

@@ -0,0 +1,9 @@
+AM_CXXFLAGS += -I$(top_srcdir)/extras
+
+bin_PROGRAMS = qed-fvol
+
+qed_fvol_SOURCES =   \
+    qed-fvol.cc      \
+    Global.cc
+
+qed_fvol_LDADD   = -lGrid

extras/qed-fvol/WilsonLoops.h

@@ -0,0 +1,265 @@
+#ifndef QEDFVOL_WILSONLOOPS_H
+#define QEDFVOL_WILSONLOOPS_H
+
+#include <Global.hpp>
+
+BEGIN_QEDFVOL_NAMESPACE
+
+template <class Gimpl> class NewWilsonLoops : public Gimpl {
+public:
+  INHERIT_GIMPL_TYPES(Gimpl);
+
+  typedef typename Gimpl::GaugeLinkField GaugeMat;
+  typedef typename Gimpl::GaugeField GaugeLorentz;
+
+  //////////////////////////////////////////////////
+  // directed plaquette oriented in mu,nu plane
+  //////////////////////////////////////////////////
+  static void dirPlaquette(GaugeMat &plaq, const std::vector<GaugeMat> &U,
+                           const int mu, const int nu) {
+    // Annoyingly, must use either scope resolution to find dependent base
+    // class,
+    // or this-> ; there is no "this" in a static method. This forces explicit
+    // Gimpl scope
+    // resolution throughout the usage in this file, and rather defeats the
+    // purpose of deriving
+    // from Gimpl.
+    plaq = Gimpl::CovShiftBackward(
+        U[mu], mu, Gimpl::CovShiftBackward(
+                       U[nu], nu, Gimpl::CovShiftForward(U[mu], mu, U[nu])));
+  }
+  //////////////////////////////////////////////////
+  // trace of directed plaquette oriented in mu,nu plane
+  //////////////////////////////////////////////////
+  static void traceDirPlaquette(LatticeComplex &plaq,
+                                const std::vector<GaugeMat> &U, const int mu,
+                                const int nu) {
+    GaugeMat sp(U[0]._grid);
+    dirPlaquette(sp, U, mu, nu);
+    plaq = trace(sp);
+  }
+  //////////////////////////////////////////////////
+  // sum over all planes of plaquette
+  //////////////////////////////////////////////////
+  static void sitePlaquette(LatticeComplex &Plaq,
+                            const std::vector<GaugeMat> &U) {
+    LatticeComplex sitePlaq(U[0]._grid);
+    Plaq = zero;
+    for (int mu = 1; mu < U[0]._grid->_ndimension; mu++) {
+      for (int nu = 0; nu < mu; nu++) {
+        traceDirPlaquette(sitePlaq, U, mu, nu);
+        Plaq = Plaq + sitePlaq;
+      }
+    }
+  }
+  //////////////////////////////////////////////////
+  // sum over all x,y,z,t and over all planes of plaquette
+  //////////////////////////////////////////////////
+  static Real sumPlaquette(const GaugeLorentz &Umu) {
+    std::vector<GaugeMat> U(4, Umu._grid);
+
+    for (int mu = 0; mu < Umu._grid->_ndimension; mu++) {
+      U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
+    }
+
+    LatticeComplex Plaq(Umu._grid);
+
+    sitePlaquette(Plaq, U);
+
+    TComplex Tp = sum(Plaq);
+    Complex p = TensorRemove(Tp);
+    return p.real();
+  }
+  //////////////////////////////////////////////////
+  // average over all x,y,z,t and over all planes of plaquette
+  //////////////////////////////////////////////////
+  static Real avgPlaquette(const GaugeLorentz &Umu) {
+    int ndim = Umu._grid->_ndimension;
+    Real sumplaq = sumPlaquette(Umu);
+    Real vol = Umu._grid->gSites();
+    Real faces = (1.0 * ndim * (ndim - 1)) / 2.0;
+    return sumplaq / vol / faces / Nc; // Nc dependent... FIXME
+  }
+
+  //////////////////////////////////////////////////
+  // Wilson loop of size (R1, R2), oriented in mu,nu plane
+  //////////////////////////////////////////////////
+  static void wilsonLoop(GaugeMat &wl, const std::vector<GaugeMat> &U,
+                           const int Rmu, const int Rnu,
+                           const int mu, const int nu) {
+    wl = U[nu];
+
+    for(int i = 0; i < Rnu-1; i++){
+      wl = Gimpl::CovShiftForward(U[nu], nu, wl);
+    }
+
+    for(int i = 0; i < Rmu; i++){
+      wl = Gimpl::CovShiftForward(U[mu], mu, wl);
+    }
+
+    for(int i = 0; i < Rnu; i++){
+      wl = Gimpl::CovShiftBackward(U[nu], nu, wl);
+    }
+
+    for(int i = 0; i < Rmu; i++){
+      wl = Gimpl::CovShiftBackward(U[mu], mu, wl);
+    }
+  }
+  //////////////////////////////////////////////////
+  // trace of Wilson Loop oriented in mu,nu plane
+  //////////////////////////////////////////////////
+  static void traceWilsonLoop(LatticeComplex &wl,
+                                const std::vector<GaugeMat> &U,
+                                const int Rmu, const int Rnu,
+                                const int mu, const int nu) {
+    GaugeMat sp(U[0]._grid);
+    wilsonLoop(sp, U, Rmu, Rnu, mu, nu);
+    wl = trace(sp);
+  }
+  //////////////////////////////////////////////////
+  // sum over all planes of Wilson loop
+  //////////////////////////////////////////////////
+  static void siteWilsonLoop(LatticeComplex &Wl,
+                            const std::vector<GaugeMat> &U,
+                            const int R1, const int R2) {
+    LatticeComplex siteWl(U[0]._grid);
+    Wl = zero;
+    for (int mu = 1; mu < U[0]._grid->_ndimension; mu++) {
+      for (int nu = 0; nu < mu; nu++) {
+        traceWilsonLoop(siteWl, U, R1, R2, mu, nu);
+        Wl = Wl + siteWl;
+        traceWilsonLoop(siteWl, U, R2, R1, mu, nu);
+        Wl = Wl + siteWl;
+      }
+    }
+  }
+  //////////////////////////////////////////////////
+  // sum over planes of Wilson loop with length R1
+  // in the time direction
+  //////////////////////////////////////////////////
+  static void siteTimelikeWilsonLoop(LatticeComplex &Wl,
+                            const std::vector<GaugeMat> &U,
+                            const int R1, const int R2) {
+    LatticeComplex siteWl(U[0]._grid);
+
+    int ndim = U[0]._grid->_ndimension;
+
+    Wl = zero;
+    for (int nu = 0; nu < ndim - 1; nu++) {
+      traceWilsonLoop(siteWl, U, R1, R2, ndim-1, nu);
+      Wl = Wl + siteWl;
+    }
+  }
+  //////////////////////////////////////////////////
+  // sum Wilson loop over all planes orthogonal to the time direction
+  //////////////////////////////////////////////////
+  static void siteSpatialWilsonLoop(LatticeComplex &Wl,
+                            const std::vector<GaugeMat> &U,
+                            const int R1, const int R2) {
+    LatticeComplex siteWl(U[0]._grid);
+
+    Wl = zero;
+    for (int mu = 1; mu < U[0]._grid->_ndimension - 1; mu++) {
+      for (int nu = 0; nu < mu; nu++) {
+        traceWilsonLoop(siteWl, U, R1, R2, mu, nu);
+        Wl = Wl + siteWl;
+        traceWilsonLoop(siteWl, U, R2, R1, mu, nu);
+        Wl = Wl + siteWl;
+      }
+    }
+  }
+  //////////////////////////////////////////////////
+  // sum over all x,y,z,t and over all planes of Wilson loop
+  //////////////////////////////////////////////////
+  static Real sumWilsonLoop(const GaugeLorentz &Umu,
+                            const int R1, const int R2) {
+    std::vector<GaugeMat> U(4, Umu._grid);
+
+    for (int mu = 0; mu < Umu._grid->_ndimension; mu++) {
+      U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
+    }
+
+    LatticeComplex Wl(Umu._grid);
+
+    siteWilsonLoop(Wl, U, R1, R2);
+
+    TComplex Tp = sum(Wl);
+    Complex p = TensorRemove(Tp);
+    return p.real();
+  }
+  //////////////////////////////////////////////////
+  // sum over all x,y,z,t and over all planes of timelike Wilson loop
+  //////////////////////////////////////////////////
+  static Real sumTimelikeWilsonLoop(const GaugeLorentz &Umu,
+                            const int R1, const int R2) {
+    std::vector<GaugeMat> U(4, Umu._grid);
+
+    for (int mu = 0; mu < Umu._grid->_ndimension; mu++) {
+      U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
+    }
+
+    LatticeComplex Wl(Umu._grid);
+
+    siteTimelikeWilsonLoop(Wl, U, R1, R2);
+
+    TComplex Tp = sum(Wl);
+    Complex p = TensorRemove(Tp);
+    return p.real();
+  }
+  //////////////////////////////////////////////////
+  // sum over all x,y,z,t and over all planes of spatial Wilson loop
+  //////////////////////////////////////////////////
+  static Real sumSpatialWilsonLoop(const GaugeLorentz &Umu,
+                            const int R1, const int R2) {
+    std::vector<GaugeMat> U(4, Umu._grid);
+
+    for (int mu = 0; mu < Umu._grid->_ndimension; mu++) {
+      U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
+    }
+
+    LatticeComplex Wl(Umu._grid);
+
+    siteSpatialWilsonLoop(Wl, U, R1, R2);
+
+    TComplex Tp = sum(Wl);
+    Complex p = TensorRemove(Tp);
+    return p.real();
+  }
+  //////////////////////////////////////////////////
+  // average over all x,y,z,t and over all planes of Wilson loop
+  //////////////////////////////////////////////////
+  static Real avgWilsonLoop(const GaugeLorentz &Umu,
+                            const int R1, const int R2) {
+    int ndim = Umu._grid->_ndimension;
+    Real sumWl = sumWilsonLoop(Umu, R1, R2);
+    Real vol = Umu._grid->gSites();
+    Real faces = 1.0 * ndim * (ndim - 1);
+    return sumWl / vol / faces / Nc; // Nc dependent... FIXME
+  }
+  //////////////////////////////////////////////////
+  // average over all x,y,z,t and over all planes of timelike Wilson loop
+  //////////////////////////////////////////////////
+  static Real avgTimelikeWilsonLoop(const GaugeLorentz &Umu,
+                            const int R1, const int R2) {
+    int ndim = Umu._grid->_ndimension;
+    Real sumWl = sumTimelikeWilsonLoop(Umu, R1, R2);
+    Real vol = Umu._grid->gSites();
+    Real faces = 1.0 * (ndim - 1);
+    return sumWl / vol / faces / Nc; // Nc dependent... FIXME
+  }
+  //////////////////////////////////////////////////
+  // average over all x,y,z,t and over all planes of spatial Wilson loop
+  //////////////////////////////////////////////////
+  static Real avgSpatialWilsonLoop(const GaugeLorentz &Umu,
+                            const int R1, const int R2) {
+    int ndim = Umu._grid->_ndimension;
+    Real sumWl = sumSpatialWilsonLoop(Umu, R1, R2);
+    Real vol = Umu._grid->gSites();
+    Real faces = 1.0 * (ndim - 1) * (ndim - 2);
+    return sumWl / vol / faces / Nc; // Nc dependent... FIXME
+  }
+};
+
+END_QEDFVOL_NAMESPACE
+
+#endif // QEDFVOL_WILSONLOOPS_H

extras/qed-fvol/qed-fvol.cc

@@ -0,0 +1,88 @@
+#include <Global.hpp>
+#include <WilsonLoops.h>
+
+using namespace Grid;
+using namespace QCD;
+using namespace QedFVol;
+
+typedef PeriodicGaugeImpl<QedGimplR>    QedPeriodicGimplR;
+typedef PhotonR::GaugeField             EmField;
+typedef PhotonR::GaugeLinkField         EmComp;
+
+const int NCONFIGS = 10;
+const int NWILSON = 10;
+
+int main(int argc, char *argv[])
+{
+    // parse command line
+    std::string parameterFileName;
+    
+    if (argc < 2)
+    {
+        std::cerr << "usage: " << argv[0] << " <parameter file> [Grid options]";
+        std::cerr << std::endl;
+        std::exit(EXIT_FAILURE);
+    }
+    parameterFileName = argv[1];
+    
+    // initialization
+    Grid_init(&argc, &argv);
+    QedFVolLogError.Active(GridLogError.isActive());
+    QedFVolLogWarning.Active(GridLogWarning.isActive());
+    QedFVolLogMessage.Active(GridLogMessage.isActive());
+    QedFVolLogIterative.Active(GridLogIterative.isActive());
+    QedFVolLogDebug.Active(GridLogDebug.isActive());
+    LOG(Message) << "Grid initialized" << std::endl;
+    
+    // QED stuff
+    std::vector<int> latt_size   = GridDefaultLatt();
+    std::vector<int> simd_layout = GridDefaultSimd(4, vComplex::Nsimd());
+    std::vector<int> mpi_layout  = GridDefaultMpi();
+    GridCartesian    grid(latt_size,simd_layout,mpi_layout);
+    GridParallelRNG  pRNG(&grid);
+    PhotonR          photon(PhotonR::Gauge::feynman,
+                            PhotonR::ZmScheme::qedL);
+    EmField          a(&grid);
+    EmField          expA(&grid);
+
+    Complex imag_unit(0, 1);
+
+    Real wlA;
+    std::vector<Real> logWlAvg(NWILSON, 0.0), logWlTime(NWILSON, 0.0), logWlSpace(NWILSON, 0.0);
+
+    pRNG.SeedRandomDevice();
+
+    LOG(Message) << "Wilson loop calculation beginning" << std::endl;
+    for(int ic = 0; ic < NCONFIGS; ic++){
+        LOG(Message) << "Configuration " << ic <<std::endl;
+        photon.StochasticField(a, pRNG);
+
+        // Exponentiate photon field
+        expA = exp(imag_unit*a);
+
+        // Calculate Wilson loops
+        for(int iw=1; iw<=NWILSON; iw++){
+            wlA = NewWilsonLoops<QedPeriodicGimplR>::avgWilsonLoop(expA, iw, iw) * 3;
+            logWlAvg[iw-1] -= 2*log(wlA);
+            wlA = NewWilsonLoops<QedPeriodicGimplR>::avgTimelikeWilsonLoop(expA, iw, iw) * 3;
+            logWlTime[iw-1] -= 2*log(wlA);
+            wlA = NewWilsonLoops<QedPeriodicGimplR>::avgSpatialWilsonLoop(expA, iw, iw) * 3;
+            logWlSpace[iw-1] -= 2*log(wlA);
+        }
+    }
+    LOG(Message) << "Wilson loop calculation completed" << std::endl;
+    
+    // Calculate Wilson loops
+    for(int iw=1; iw<=10; iw++){
+        LOG(Message) << iw << 'x' << iw << " Wilson loop" << std::endl;
+        LOG(Message) << "-2log(W) average: " << logWlAvg[iw-1]/NCONFIGS << std::endl;
+        LOG(Message) << "-2log(W) timelike: " << logWlTime[iw-1]/NCONFIGS << std::endl;
+        LOG(Message) << "-2log(W) spatial: " << logWlSpace[iw-1]/NCONFIGS << std::endl;
+    }
+
+    // epilogue
+    LOG(Message) << "Grid is finalizing now" << std::endl;
+    Grid_finalize();
+    
+    return EXIT_SUCCESS;
+}

gcc-bug-report/README

@@ -20,4 +20,17 @@ The simple testcase in this directory is the submitted bug report that encapsula
 problem. The test case works with icpc and with clang++, but fails consistently on g++
 current variants.
 
-Peter
+Peter
+
+
+************
+
+Second GCC bug reported, see Issue 100.
+
+https://wandbox.org/permlink/tzssJza6R9XnqANw
+https://gcc.gnu.org/bugzilla/show_bug.cgi?id=80652
+
+Getting Travis fails under gcc-5 for Test_simd, now that I added more comprehensive testing to the
+CI test suite. The limitations of Travis runtime limits & weak cores are being shown.
+
+Travis uses 5.4.1 for g++-5.

grid-config.in

@@ -0,0 +1,86 @@
+#! /bin/sh
+
+prefix=@prefix@
+exec_prefix=@exec_prefix@
+includedir=@includedir@
+
+usage()
+{
+  cat <<EOF
+Usage: grid-config [OPTION]
+
+Known values for OPTION are:
+
+  --prefix     show Grid installation prefix
+  --cxxflags   print pre-processor and compiler flags
+  --ldflags    print library linking flags
+  --libs       print library linking information
+  --summary    print full build summary
+  --help       display this help and exit
+  --version    output version information
+  --git        print git revision
+
+EOF
+  
+  exit $1
+}
+
+if test $# -eq 0; then
+  usage 1
+fi
+
+cflags=false
+libs=false
+
+while test $# -gt 0; do
+  case "$1" in
+    -*=*) optarg=`echo "$1" | sed 's/[-_a-zA-Z0-9]*=//'` ;;
+    *) optarg= ;;
+  esac
+  
+  case "$1" in
+    --prefix)
+      echo $prefix
+    ;;
+    
+    --version)
+      echo @VERSION@
+      exit 0
+    ;;
+    
+    --git)
+      echo "@GRID_BRANCH@ @GRID_SHA@"
+      exit 0
+    ;;
+    
+    --help)
+      usage 0
+    ;;
+    
+    --cxxflags)
+      echo @GRID_CXXFLAGS@
+    ;;
+    
+    --ldflags)
+      echo @GRID_LDFLAGS@
+    ;;
+    
+    --libs)
+      echo @GRID_LIBS@
+    ;;
+    
+    --summary)
+      echo ""
+      echo "@GRID_SUMMARY@"
+      echo ""
+    ;;
+    
+    *)
+      usage
+      exit 1
+    ;;
+  esac
+  shift
+done
+
+exit 0

lib/AlignedAllocator.cc

@@ -1,65 +0,0 @@
-
-
-
-#include <Grid/Grid.h>
-
-namespace Grid {
-
-int PointerCache::victim;
-
-  PointerCache::PointerCacheEntry PointerCache::Entries[PointerCache::Ncache];
-
-void *PointerCache::Insert(void *ptr,size_t bytes) {
-
-  if (bytes < 4096 ) return NULL;
-
-#ifdef _OPENMP
-  assert(omp_in_parallel()==0);
-#endif 
-  void * ret = NULL;
-  int v = -1;
-
-  for(int e=0;e<Ncache;e++) {
-    if ( Entries[e].valid==0 ) {
-      v=e; 
-      break;
-    }
-  }
-
-  if ( v==-1 ) {
-    v=victim;
-    victim = (victim+1)%Ncache;
-  }
-
-  if ( Entries[v].valid ) {
-    ret = Entries[v].address;
-    Entries[v].valid = 0;
-    Entries[v].address = NULL;
-    Entries[v].bytes = 0;
-  }
-
-  Entries[v].address=ptr;
-  Entries[v].bytes  =bytes;
-  Entries[v].valid  =1;
-
-  return ret;
-}
-
-void *PointerCache::Lookup(size_t bytes) {
-
- if (bytes < 4096 ) return NULL;
-
-#ifdef _OPENMP
-  assert(omp_in_parallel()==0);
-#endif 
-
-  for(int e=0;e<Ncache;e++){
-    if ( Entries[e].valid && ( Entries[e].bytes == bytes ) ) {
-      Entries[e].valid = 0;
-      return Entries[e].address;
-    }
-  }
-  return NULL;
-}
-
-}

lib/DisableWarnings.h

@@ -0,0 +1,37 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/DisableWarnings.h
+
+Copyright (C) 2016
+
+Author: Guido Cossu <guido.cossu@ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef DISABLE_WARNINGS_H
+#define DISABLE_WARNINGS_H
+
+ //disables and intel compiler specific warning (in json.hpp)
+#pragma warning disable 488  
+
+
+#endif

lib/Grid.h

@@ -38,52 +38,12 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #ifndef GRID_H
 #define GRID_H
 
-///////////////////
-// Std C++ dependencies
-///////////////////
-#include <cassert>
-#include <complex>
-#include <vector>
-#include <iostream>
-#include <iomanip>
-#include <random>
-#include <functional>
-#include <stdio.h>
-#include <stdlib.h>
-#include <stdio.h>
-#include <signal.h>
-#include <ctime>
-#include <sys/time.h>
-#include <chrono>
-
-///////////////////
-// Grid headers
-///////////////////
-#include "Config.h"
-#include <Grid/Timer.h>
-#include <Grid/PerfCount.h>
-#include <Grid/Log.h>
-#include <Grid/AlignedAllocator.h>
-#include <Grid/Simd.h>
-#include <Grid/serialisation/Serialisation.h>
-#include <Grid/Threads.h>
-#include <Grid/Lexicographic.h>
-#include <Grid/Init.h>
-#include <Grid/Communicator.h> 
-#include <Grid/Cartesian.h>    
-#include <Grid/Tensors.h>      
-#include <Grid/Lattice.h>      
-#include <Grid/Cshift.h>       
-#include <Grid/Stencil.h>      
-#include <Grid/Algorithms.h>   
-#include <Grid/parallelIO/BinaryIO.h>
-#include <Grid/FFT.h>
-
-#include <Grid/qcd/QCD.h>
-#include <Grid/parallelIO/NerscIO.h>
-#include <Grid/qcd/hmc/NerscCheckpointer.h>
-#include <Grid/qcd/hmc/HmcRunner.h>
-
-
+#include <Grid/GridCore.h>
+#include <Grid/GridQCDcore.h>
+#include <Grid/qcd/action/Action.h>
+#include <Grid/qcd/utils/GaugeFix.h>
+#include <Grid/qcd/smearing/Smearing.h>
+#include <Grid/parallelIO/MetaData.h>
+#include <Grid/qcd/hmc/HMC_aggregate.h>
 
 #endif

lib/GridCore.h

@@ -2,11 +2,13 @@
 
     Grid physics library, www.github.com/paboyle/Grid 
 
-    Source file: ./lib/algorithms/iterative/MatrixUtils.h
+    Source file: ./lib/Grid.h
 
     Copyright (C) 2015
 
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: azusayamaguchi <ayamaguc@YAMAKAZE.local>
+Author: paboyle <paboyle@ph.ed.ac.uk>
 
     This program is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
@@ -25,51 +27,34 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#ifndef GRID_MATRIX_UTILS_H
-#define GRID_MATRIX_UTILS_H
+//
+//  Grid.h
+//  simd
+//
+//  Created by Peter Boyle on 09/05/2014.
+//  Copyright (c) 2014 University of Edinburgh. All rights reserved.
+//
 
-namespace Grid {
+#ifndef GRID_BASE_H
+#define GRID_BASE_H
 
-  namespace MatrixUtils { 
+#include <Grid/GridStd.h>
 
-    template<class T> inline void Size(Matrix<T>& A,int &N,int &M){
-      N=A.size(); assert(N>0);
-      M=A[0].size();
-      for(int i=0;i<N;i++){
-	assert(A[i].size()==M);
-      }
-    }
+#include <Grid/perfmon/Timer.h>
+#include <Grid/perfmon/PerfCount.h>
+#include <Grid/log/Log.h>
+#include <Grid/allocator/AlignedAllocator.h>
+#include <Grid/simd/Simd.h>
+#include <Grid/serialisation/Serialisation.h>
+#include <Grid/threads/Threads.h>
+#include <Grid/util/Util.h>
+#include <Grid/communicator/Communicator.h> 
+#include <Grid/cartesian/Cartesian.h>    
+#include <Grid/tensors/Tensors.h>      
+#include <Grid/lattice/Lattice.h>      
+#include <Grid/cshift/Cshift.h>       
+#include <Grid/stencil/Stencil.h>      
+#include <Grid/parallelIO/BinaryIO.h>
+#include <Grid/algorithms/Algorithms.h>   
 
-    template<class T> inline void SizeSquare(Matrix<T>& A,int &N)
-    {
-      int M;
-      Size(A,N,M);
-      assert(N==M);
-    }
-
-    template<class T> inline void Fill(Matrix<T>& A,T & val)
-    { 
-      int N,M;
-      Size(A,N,M);
-      for(int i=0;i<N;i++){
-      for(int j=0;j<M;j++){
-	A[i][j]=val;
-      }}
-    }
-    template<class T> inline void Diagonal(Matrix<T>& A,T & val)
-    { 
-      int N;
-      SizeSquare(A,N);
-      for(int i=0;i<N;i++){
-	A[i][i]=val;
-      }
-    }
-    template<class T> inline void Identity(Matrix<T>& A)
-    {
-      Fill(A,0.0);
-      Diagonal(A,1.0);
-    }
-
-  };
-}
 #endif

lib/GridQCDcore.h

@@ -2,12 +2,12 @@
 
     Grid physics library, www.github.com/paboyle/Grid 
 
-    Source file: ./lib/qcd/hmc/HMC.cc
+    Source file: ./lib/Grid.h
 
     Copyright (C) 2015
 
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: neo <cossu@post.kek.jp>
+Author: azusayamaguchi <ayamaguc@YAMAKAZE.local>
 Author: paboyle <paboyle@ph.ed.ac.uk>
 
     This program is free software; you can redistribute it and/or modify
@@ -27,10 +27,16 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#include <Grid/Grid.h>
+#ifndef GRID_QCD_CORE_H
+#define GRID_QCD_CORE_H
 
-namespace Grid{
-  namespace QCD{
+/////////////////////////
+// Core Grid QCD headers
+/////////////////////////
+#include <Grid/GridCore.h>
+#include <Grid/qcd/QCD.h>
+#include <Grid/qcd/spin/Spin.h>
+#include <Grid/qcd/utils/Utils.h>
+#include <Grid/qcd/representations/Representations.h>
 
-  }
-}
+#endif

lib/GridStd.h

@@ -0,0 +1,29 @@
+#ifndef GRID_STD_H
+#define GRID_STD_H
+
+///////////////////
+// Std C++ dependencies
+///////////////////
+#include <cassert>
+#include <complex>
+#include <vector>
+#include <string>
+#include <iostream>
+#include <iomanip>
+#include <random>
+#include <functional>
+#include <stdio.h>
+#include <stdlib.h>
+#include <stdio.h>
+#include <signal.h>
+#include <ctime>
+#include <sys/time.h>
+#include <chrono>
+#include <zlib.h>
+
+///////////////////
+// Grid config
+///////////////////
+#include "Config.h"
+
+#endif /* GRID_STD_H */

lib/Grid_Eigen_Dense.h

@@ -0,0 +1,9 @@
+#pragma once
+#if defined __GNUC__
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wdeprecated-declarations"
+#endif
+#include <Grid/Eigen/Dense>
+#if defined __GNUC__
+#pragma GCC diagnostic pop
+#endif

lib/Lexicographic.h

@@ -1,32 +0,0 @@
-#ifndef GRID_LEXICOGRAPHIC_H
-#define GRID_LEXICOGRAPHIC_H
-
-
-namespace Grid{
-
-  class Lexicographic {
-  public:
-
-    static inline void CoorFromIndex (std::vector<int>& coor,int index,std::vector<int> &dims){
-      int nd= dims.size();
-      coor.resize(nd);
-      for(int d=0;d<nd;d++){
-	coor[d] = index % dims[d];
-	index   = index / dims[d];
-      }
-    }
-
-    static inline void IndexFromCoor (std::vector<int>& coor,int &index,std::vector<int> &dims){
-      int nd=dims.size();
-      int stride=1;
-      index=0;
-      for(int d=0;d<nd;d++){
-	index = index+stride*coor[d];
-	stride=stride*dims[d];
-      }
-    }
-
-  };
-
-}
-#endif

lib/Makefile.am

@@ -10,8 +10,8 @@ if BUILD_COMMS_MPI3
   extra_sources+=communicator/Communicator_base.cc
 endif
 
-if BUILD_COMMS_MPI3L
-  extra_sources+=communicator/Communicator_mpi3_leader.cc
+if BUILD_COMMS_MPIT
+  extra_sources+=communicator/Communicator_mpit.cc
   extra_sources+=communicator/Communicator_base.cc
 endif
 

lib/Old/Tensor_peek.h

@@ -1,154 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/Old/Tensor_peek.h
-
-    Copyright (C) 2015
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END LEGAL */
-#ifndef GRID_MATH_PEEK_H
-#define GRID_MATH_PEEK_H
-namespace Grid {
-
-//////////////////////////////////////////////////////////////////////////////
-// Peek on a specific index; returns a scalar in that index, tensor inherits rest
-//////////////////////////////////////////////////////////////////////////////
-// If we hit the right index, return scalar with no further recursion
-
-//template<int Level> inline ComplexF peekIndex(const ComplexF arg) { return arg;}
-//template<int Level> inline ComplexD peekIndex(const ComplexD arg) { return arg;}
-//template<int Level> inline RealF peekIndex(const RealF arg) { return arg;}
-//template<int Level> inline RealD peekIndex(const RealD arg) { return arg;}
-#if 0
-// Scalar peek, no indices
-template<int Level,class vtype,typename std::enable_if< iScalar<vtype>::TensorLevel == Level >::type * =nullptr> inline 
-  auto peekIndex(const iScalar<vtype> &arg) ->  iScalar<vtype> 
-{
-  return arg;
-}
-// Vector peek, one index
-template<int Level,class vtype,int N,typename std::enable_if< iScalar<vtype>::TensorLevel == Level >::type * =nullptr> inline 
-  auto peekIndex(const iVector<vtype,N> &arg,int i) -> iScalar<vtype> // Index matches
-{
-  iScalar<vtype> ret;                              // return scalar
-  ret._internal = arg._internal[i];
-  return ret;
-}
-// Matrix peek, two indices
-template<int Level,class vtype,int N,typename std::enable_if< iScalar<vtype>::TensorLevel == Level >::type * =nullptr> inline 
-  auto peekIndex(const iMatrix<vtype,N> &arg,int i,int j) ->  iScalar<vtype>
-{
-  iScalar<vtype> ret;                              // return scalar
-  ret._internal = arg._internal[i][j];
-  return ret;
-}
-
-/////////////
-// No match peek for scalar,vector,matrix must forward on either 0,1,2 args. Must have 9 routines with notvalue
-/////////////
-// scalar
-template<int Level,class vtype,typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  auto peekIndex(const iScalar<vtype> &arg) -> iScalar<decltype(peekIndex<Level>(arg._internal))>
-{
-  iScalar<decltype(peekIndex<Level>(arg._internal))> ret;
-  ret._internal= peekIndex<Level>(arg._internal);
-  return ret;
-}
-template<int Level,class vtype, typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  auto peekIndex(const iScalar<vtype> &arg,int i) ->  iScalar<decltype(peekIndex<Level>(arg._internal,i))> 
-{
-  iScalar<decltype(peekIndex<Level>(arg._internal,i))> ret;
-  ret._internal=peekIndex<Level>(arg._internal,i);
-  return ret;
-}
-template<int Level,class vtype, typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  auto peekIndex(const iScalar<vtype> &arg,int i,int j) ->  iScalar<decltype(peekIndex<Level>(arg._internal,i,j))>
-{
-  iScalar<decltype(peekIndex<Level>(arg._internal,i,j))> ret;
-  ret._internal=peekIndex<Level>(arg._internal,i,j);
-  return ret;
-}
-// vector
-template<int Level,class vtype,int N, typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-auto peekIndex(const iVector<vtype,N> &arg) ->   iVector<decltype(peekIndex<Level>(arg._internal[0])),N>
-{
-  iVector<decltype(peekIndex<Level>(arg._internal[0])),N> ret;
-  for(int ii=0;ii<N;ii++){
-    ret._internal[ii]=peekIndex<Level>(arg._internal[ii]);
-  }
-  return ret;
-}
-template<int Level,class vtype,int N, typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  auto peekIndex(const iVector<vtype,N> &arg,int i) ->  iVector<decltype(peekIndex<Level>(arg._internal[0],i)),N>
-{
-  iVector<decltype(peekIndex<Level>(arg._internal[0],i)),N> ret;
-  for(int ii=0;ii<N;ii++){
-    ret._internal[ii]=peekIndex<Level>(arg._internal[ii],i);
-  }
-  return ret;
-}
-template<int Level,class vtype,int N, typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  auto peekIndex(const iVector<vtype,N> &arg,int i,int j) ->  iVector<decltype(peekIndex<Level>(arg._internal[0],i,j)),N> 
-{
-  iVector<decltype(peekIndex<Level>(arg._internal[0],i,j)),N> ret;
-  for(int ii=0;ii<N;ii++){
-    ret._internal[ii]=peekIndex<Level>(arg._internal[ii],i,j);
-  }
-  return ret;
-}
-
-// matrix
-template<int Level,class vtype,int N, typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-auto peekIndex(const iMatrix<vtype,N> &arg) ->   iMatrix<decltype(peekIndex<Level>(arg._internal[0][0])),N> 
-{
-  iMatrix<decltype(peekIndex<Level>(arg._internal[0][0])),N> ret;
-  for(int ii=0;ii<N;ii++){
-  for(int jj=0;jj<N;jj++){
-    ret._internal[ii][jj]=peekIndex<Level>(arg._internal[ii][jj]);// Could avoid this because peeking a scalar is dumb
-  }}
-  return ret;
-}
-template<int Level,class vtype,int N, typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  auto peekIndex(const iMatrix<vtype,N> &arg,int i) ->   iMatrix<decltype(peekIndex<Level>(arg._internal[0][0],i)),N>
-{
-  iMatrix<decltype(peekIndex<Level>(arg._internal[0][0],i)),N> ret;
-  for(int ii=0;ii<N;ii++){
-  for(int jj=0;jj<N;jj++){
-    ret._internal[ii][jj]=peekIndex<Level>(arg._internal[ii][jj],i);
-  }}
-  return ret;
-}
-template<int Level,class vtype,int N, typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  auto peekIndex(const iMatrix<vtype,N> &arg,int i,int j) ->   iMatrix<decltype(peekIndex<Level>(arg._internal[0][0],i,j)),N>
-{
-  iMatrix<decltype(peekIndex<Level>(arg._internal[0][0],i,j)),N> ret;
-  for(int ii=0;ii<N;ii++){
-  for(int jj=0;jj<N;jj++){
-    ret._internal[ii][jj]=peekIndex<Level>(arg._internal[ii][jj],i,j);
-  }}
-  return ret;
-}
-#endif
-
-
-}
-#endif

lib/Old/Tensor_poke.h

@@ -1,127 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/Old/Tensor_poke.h
-
-    Copyright (C) 2015
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END LEGAL */
-#ifndef GRID_MATH_POKE_H
-#define GRID_MATH_POKE_H
-namespace Grid {
-
-//////////////////////////////////////////////////////////////////////////////
-// Poke a specific index; 
-//////////////////////////////////////////////////////////////////////////////
-#if 0
-// Scalar poke
-template<int Level,class vtype,typename std::enable_if< iScalar<vtype>::TensorLevel == Level >::type * =nullptr> inline 
-  void pokeIndex(iScalar<vtype> &ret, const iScalar<vtype> &arg)
-{
-  ret._internal = arg._internal;
-}
-// Vector poke, one index
-template<int Level,class vtype,int N,typename std::enable_if< iScalar<vtype>::TensorLevel == Level >::type * =nullptr> inline 
-  void pokeIndex(iVector<vtype,N> &ret, const iScalar<vtype> &arg,int i)
-{
-  ret._internal[i] = arg._internal;
-}
-//Matrix poke, two indices
-template<int Level,class vtype,int N,typename std::enable_if< iScalar<vtype>::TensorLevel == Level >::type * =nullptr> inline 
-  void pokeIndex(iMatrix<vtype,N> &ret, const iScalar<vtype> &arg,int i,int j)
-{
-  ret._internal[i][j] = arg._internal;
-}
-
-/////////////
-// No match poke for scalar,vector,matrix must forward on either 0,1,2 args. Must have 9 routines with notvalue
-/////////////
-// scalar
-template<int Level,class vtype,typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-void pokeIndex(iScalar<vtype> &ret, const iScalar<decltype(peekIndex<Level>(ret._internal))>  &arg)
-{
-  pokeIndex<Level>(ret._internal,arg._internal);
-}
-template<int Level,class vtype,typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  void pokeIndex(iScalar<vtype> &ret, const iScalar<decltype(peekIndex<Level>(ret._internal,0))> &arg, int i)
-		 
-{
-  pokeIndex<Level>(ret._internal,arg._internal,i);
-}
-template<int Level,class vtype,typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  void pokeIndex(iScalar<vtype> &ret, const iScalar<decltype(peekIndex<Level>(ret._internal,0,0))> &arg,int i,int j)
-{
-  pokeIndex<Level>(ret._internal,arg._internal,i,j);
-}
-
-// Vector
-template<int Level,class vtype,int N,typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  void pokeIndex(iVector<vtype,N> &ret, iVector<decltype(peekIndex<Level>(ret._internal)),N>  &arg)
-{
-  for(int ii=0;ii<N;ii++){
-    pokeIndex<Level>(ret._internal[ii],arg._internal[ii]);
-  }
-}
-template<int Level,class vtype,int N,typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  void pokeIndex(iVector<vtype,N> &ret, const iVector<decltype(peekIndex<Level>(ret._internal,0)),N> &arg,int i)
-{
-  for(int ii=0;ii<N;ii++){
-    pokeIndex<Level>(ret._internal[ii],arg._internal[ii],i);
-  }
-}
-template<int Level,class vtype,int N,typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  void pokeIndex(iVector<vtype,N> &ret, const iVector<decltype(peekIndex<Level>(ret._internal,0,0)),N> &arg,int i,int j)
-{
-  for(int ii=0;ii<N;ii++){
-    pokeIndex<Level>(ret._internal[ii],arg._internal[ii],i,j);
-  }
-}
-
-// Matrix
-template<int Level,class vtype,int N,typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  void pokeIndex(iMatrix<vtype,N> &ret, const iMatrix<decltype(peekIndex<Level>(ret._internal)),N> &arg)		 
-{
-  for(int ii=0;ii<N;ii++){
-  for(int jj=0;jj<N;jj++){
-    pokeIndex<Level>(ret._internal[ii][jj],arg._internal[ii][jj]);
-  }}
-}
-template<int Level,class vtype,int N,typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  void pokeIndex(iMatrix<vtype,N> &ret, const iMatrix<decltype(peekIndex<Level>(ret._internal,0)),N> &arg,int i)
-{
-  for(int ii=0;ii<N;ii++){
-  for(int jj=0;jj<N;jj++){
-    pokeIndex<Level>(ret._internal[ii][jj],arg._internal[ii][jj],i);
-  }}
-}
-template<int Level,class vtype,int N,typename std::enable_if< iScalar<vtype>::TensorLevel != Level >::type * =nullptr> inline 
-  void pokeIndex(iMatrix<vtype,N> &ret, const iMatrix<decltype(peekIndex<Level>(ret._internal,0,0)),N> &arg, int i,int j)
-{
-  for(int ii=0;ii<N;ii++){
-  for(int jj=0;jj<N;jj++){
-    pokeIndex<Level>(ret._internal[ii][jj],arg._internal[ii][jj],i,j);
-  }}
-}
-#endif
-
-}
-#endif

lib/algorithms/Algorithms.h

@@ -1,6 +1,6 @@
     /*************************************************************************************
 
-    Grid physics library, www.github.com/paboyle/Grid 
+    Grid physics library, www.github.com/paboyle/Grid
 
     Source file: ./lib/Algorithms.h
 
@@ -37,39 +37,24 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/algorithms/approx/Chebyshev.h>
 #include <Grid/algorithms/approx/Remez.h>
 #include <Grid/algorithms/approx/MultiShiftFunction.h>
+#include <Grid/algorithms/approx/Forecast.h>
 
 #include <Grid/algorithms/iterative/ConjugateGradient.h>
-#include <Grid/algorithms/iterative/ConjugateGradientShifted.h>
 #include <Grid/algorithms/iterative/ConjugateResidual.h>
 #include <Grid/algorithms/iterative/NormalEquations.h>
 #include <Grid/algorithms/iterative/SchurRedBlack.h>
-
 #include <Grid/algorithms/iterative/ConjugateGradientMultiShift.h>
 #include <Grid/algorithms/iterative/ConjugateGradientMixedPrec.h>
-
-// Lanczos support
-#include <Grid/algorithms/iterative/MatrixUtils.h>
+#include <Grid/algorithms/iterative/BlockConjugateGradient.h>
+#include <Grid/algorithms/iterative/ConjugateGradientReliableUpdate.h>
 #include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
-
 #include <Grid/algorithms/CoarsenedMatrix.h>
+#include <Grid/algorithms/FFT.h>
 
-// Eigen/lanczos
 // EigCg
-// MCR
 // Pcg
-// Multishift CG
 // Hdcg
 // GCR
 // etc..
 
-// integrator/Leapfrog
-// integrator/Omelyan
-// integrator/ForceGradient
-
-// montecarlo/hmc
-// montecarlo/rhmc
-// montecarlo/metropolis
-// etc...
-
-
 #endif

lib/algorithms/CoarsenedMatrix.h

@@ -103,29 +103,32 @@ namespace Grid {
     GridBase *CoarseGrid;
     GridBase *FineGrid;
     std::vector<Lattice<Fobj> > subspace;
+    int checkerboard;
 
-    Aggregation(GridBase *_CoarseGrid,GridBase *_FineGrid) : 
-      CoarseGrid(_CoarseGrid),
+  Aggregation(GridBase *_CoarseGrid,GridBase *_FineGrid,int _checkerboard) : 
+    CoarseGrid(_CoarseGrid),
       FineGrid(_FineGrid),
-      subspace(nbasis,_FineGrid)
+      subspace(nbasis,_FineGrid),
+      checkerboard(_checkerboard)
 	{
 	};
   
     void Orthogonalise(void){
       CoarseScalar InnerProd(CoarseGrid); 
+      std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
       blockOrthogonalise(InnerProd,subspace);
+      std::cout << GridLogMessage <<" Gramm-Schmidt pass 2"<<std::endl;
+      blockOrthogonalise(InnerProd,subspace);
+      //      std::cout << GridLogMessage <<" Gramm-Schmidt checking orthogonality"<<std::endl;
+      //      CheckOrthogonal();
     } 
     void CheckOrthogonal(void){
       CoarseVector iProj(CoarseGrid); 
       CoarseVector eProj(CoarseGrid); 
-      Lattice<CComplex> pokey(CoarseGrid);
-
-      
       for(int i=0;i<nbasis;i++){
 	blockProject(iProj,subspace[i],subspace);
-
 	eProj=zero; 
-	for(int ss=0;ss<CoarseGrid->oSites();ss++){
+	parallel_for(int ss=0;ss<CoarseGrid->oSites();ss++){
 	  eProj._odata[ss](i)=CComplex(1.0);
 	}
 	eProj=eProj - iProj;
@@ -137,6 +140,7 @@ namespace Grid {
       blockProject(CoarseVec,FineVec,subspace);
     }
     void PromoteFromSubspace(const CoarseVector &CoarseVec,FineField &FineVec){
+      FineVec.checkerboard = subspace[0].checkerboard;
       blockPromote(CoarseVec,FineVec,subspace);
     }
     void CreateSubspaceRandom(GridParallelRNG &RNG){
@@ -147,6 +151,7 @@ namespace Grid {
       Orthogonalise();
     }
 
+    /*
     virtual void CreateSubspaceLanczos(GridParallelRNG  &RNG,LinearOperatorBase<FineField> &hermop,int nn=nbasis) 
     {
       // Run a Lanczos with sloppy convergence
@@ -195,7 +200,7 @@ namespace Grid {
 	  std::cout << GridLogMessage <<"subspace["<<b<<"] = "<<norm2(subspace[b])<<std::endl;
 	}
     }
-
+    */
     virtual void CreateSubspace(GridParallelRNG  &RNG,LinearOperatorBase<FineField> &hermop,int nn=nbasis) {
 
       RealD scale;
@@ -267,8 +272,7 @@ namespace Grid {
       SimpleCompressor<siteVector> compressor;
       Stencil.HaloExchange(in,compressor);
 
-PARALLEL_FOR_LOOP
-      for(int ss=0;ss<Grid()->oSites();ss++){
+      parallel_for(int ss=0;ss<Grid()->oSites();ss++){
         siteVector res = zero;
 	siteVector nbr;
 	int ptype;
@@ -380,8 +384,7 @@ PARALLEL_FOR_LOOP
 	  Subspace.ProjectToSubspace(oProj,oblock);
 	  //	  blockProject(iProj,iblock,Subspace.subspace);
 	  //	  blockProject(oProj,oblock,Subspace.subspace);
-PARALLEL_FOR_LOOP
-	  for(int ss=0;ss<Grid()->oSites();ss++){
+	  parallel_for(int ss=0;ss<Grid()->oSites();ss++){
 	    for(int j=0;j<nbasis;j++){
 	      if( disp!= 0 ) {
 		A[p]._odata[ss](j,i) = oProj._odata[ss](j);
@@ -427,7 +430,7 @@ PARALLEL_FOR_LOOP
 	A[p]=zero;
       }
 
-      GridParallelRNG  RNG(Grid()); RNG.SeedRandomDevice();
+      GridParallelRNG  RNG(Grid()); RNG.SeedFixedIntegers(std::vector<int>({55,72,19,17,34}));
       Lattice<iScalar<CComplex> > val(Grid()); random(RNG,val);
 
       Complex one(1.0);

lib/algorithms/FFT.h

@@ -230,6 +230,7 @@ namespace Grid {
       // Barrel shift and collect global pencil
       std::vector<int> lcoor(Nd), gcoor(Nd);
       result = source;
+      int pc = processor_coor[dim];
       for(int p=0;p<processors[dim];p++) {
         PARALLEL_REGION
         {
@@ -240,7 +241,8 @@ namespace Grid {
           for(int idx=0;idx<sgrid->lSites();idx++) {
             sgrid->LocalIndexToLocalCoor(idx,cbuf);
             peekLocalSite(s,result,cbuf);
-            cbuf[dim]+=p*L;
+	    cbuf[dim]+=((pc+p) % processors[dim])*L;
+	    //            cbuf[dim]+=p*L;
             pokeLocalSite(s,pgbuf,cbuf);
           }
         }
@@ -278,7 +280,6 @@ namespace Grid {
       flops+= flops_call*NN;
       
       // writing out result
-      int pc = processor_coor[dim];
       PARALLEL_REGION
       {
         std::vector<int> clbuf(Nd), cgbuf(Nd);

lib/algorithms/LinearOperator.h

@@ -162,15 +162,10 @@ namespace Grid {
 	_Mat.M(in,out);
       }
       void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-	ComplexD dot;
-
 	_Mat.M(in,out);
 	
-	dot= innerProduct(in,out);
-	n1=real(dot);
-
-	dot = innerProduct(out,out);
-	n2=real(dot);
+	ComplexD dot= innerProduct(in,out); n1=real(dot);
+	n2=norm2(out);
       }
       void HermOp(const Field &in, Field &out){
 	_Mat.M(in,out);
@@ -192,10 +187,10 @@ namespace Grid {
 	ni=Mpc(in,tmp);
 	no=MpcDag(tmp,out);
       }
-      void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
+      virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
 	MpcDagMpc(in,out,n1,n2);
       }
-      void HermOp(const Field &in, Field &out){
+      virtual void HermOp(const Field &in, Field &out){
 	RealD n1,n2;
 	HermOpAndNorm(in,out,n1,n2);
       }
@@ -212,7 +207,6 @@ namespace Grid {
       void OpDir  (const Field &in, Field &out,int dir,int disp) {
 	assert(0);
       }
-
     };
     template<class Matrix,class Field>
       class SchurDiagMooeeOperator :  public SchurOperatorBase<Field> {
@@ -235,7 +229,7 @@ namespace Grid {
 	Field tmp(in._grid);
 
 	_Mat.MeooeDag(in,tmp);
-	_Mat.MooeeInvDag(tmp,out);
+        _Mat.MooeeInvDag(tmp,out);
 	_Mat.MeooeDag(out,tmp);
 
 	_Mat.MooeeDag(in,out);
@@ -270,7 +264,6 @@ namespace Grid {
 	return axpy_norm(out,-1.0,tmp,in);
       }
     };
-
     template<class Matrix,class Field>
       class SchurDiagTwoOperator :  public SchurOperatorBase<Field> {
     protected:
@@ -299,6 +292,45 @@ namespace Grid {
 	return axpy_norm(out,-1.0,tmp,in);
       }
     };
+    ///////////////////////////////////////////////////////////////////////////////////////////////////
+    // Left  handed Moo^-1 ; (Moo - Moe Mee^-1 Meo) psi = eta  -->  ( 1 - Moo^-1 Moe Mee^-1 Meo ) psi = Moo^-1 eta
+    // Right handed Moo^-1 ; (Moo - Moe Mee^-1 Meo) Moo^-1 Moo psi = eta  -->  ( 1 - Moe Mee^-1 Meo ) Moo^-1 phi=eta ; psi = Moo^-1 phi
+    ///////////////////////////////////////////////////////////////////////////////////////////////////
+    template<class Matrix,class Field> using SchurDiagOneRH = SchurDiagTwoOperator<Matrix,Field> ;
+    template<class Matrix,class Field> using SchurDiagOneLH = SchurDiagOneOperator<Matrix,Field> ;
+    ///////////////////////////////////////////////////////////////////////////////////////////////////
+    //  Staggered use
+    ///////////////////////////////////////////////////////////////////////////////////////////////////
+    template<class Matrix,class Field>
+      class SchurStaggeredOperator :  public SchurOperatorBase<Field> {
+    protected:
+      Matrix &_Mat;
+    public:
+      SchurStaggeredOperator (Matrix &Mat): _Mat(Mat){};
+      virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
+	n2 = Mpc(in,out);
+	ComplexD dot= innerProduct(in,out);
+	n1 = real(dot);
+      }
+      virtual void HermOp(const Field &in, Field &out){
+	Mpc(in,out);
+      }
+      virtual  RealD Mpc      (const Field &in, Field &out) {
+	Field tmp(in._grid);
+	_Mat.Meooe(in,tmp);
+	_Mat.MooeeInv(tmp,out);
+	_Mat.Meooe(out,tmp);
+	_Mat.Mooee(in,out);
+        return axpy_norm(out,-1.0,tmp,out);
+      }
+      virtual  RealD MpcDag   (const Field &in, Field &out){
+	return Mpc(in,out);
+      }
+      virtual void MpcDagMpc(const Field &in, Field &out,RealD &ni,RealD &no) {
+	assert(0);// Never need with staggered
+      }
+    };
+    template<class Matrix,class Field> using SchurStagOperator = SchurStaggeredOperator<Matrix,Field>;
 
 
     /////////////////////////////////////////////////////////////
@@ -314,6 +346,14 @@ namespace Grid {
       virtual void operator() (const Field &in, Field &out) = 0;
     };
 
+    template<class Field> class IdentityLinearFunction : public LinearFunction<Field> {
+    public:
+      void operator() (const Field &in, Field &out){
+	out = in;
+      };
+    };
+
+
     /////////////////////////////////////////////////////////////
     // Base classes for Multishift solvers for operators
     /////////////////////////////////////////////////////////////
@@ -336,6 +376,64 @@ namespace Grid {
      };
     */
 
+  ////////////////////////////////////////////////////////////////////////////////////////////
+  // Hermitian operator Linear function and operator function
+  ////////////////////////////////////////////////////////////////////////////////////////////
+    template<class Field>
+      class HermOpOperatorFunction : public OperatorFunction<Field> {
+      void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
+	Linop.HermOp(in,out);
+      };
+    };
+
+    template<typename Field>
+      class PlainHermOp : public LinearFunction<Field> {
+    public:
+      LinearOperatorBase<Field> &_Linop;
+      
+      PlainHermOp(LinearOperatorBase<Field>& linop) : _Linop(linop) 
+      {}
+      
+      void operator()(const Field& in, Field& out) {
+	_Linop.HermOp(in,out);
+      }
+    };
+
+    template<typename Field>
+    class FunctionHermOp : public LinearFunction<Field> {
+    public:
+      OperatorFunction<Field>   & _poly;
+      LinearOperatorBase<Field> &_Linop;
+      
+      FunctionHermOp(OperatorFunction<Field> & poly,LinearOperatorBase<Field>& linop) 
+	: _poly(poly), _Linop(linop) {};
+      
+      void operator()(const Field& in, Field& out) {
+	_poly(_Linop,in,out);
+      }
+    };
+
+  template<class Field>
+  class Polynomial : public OperatorFunction<Field> {
+  private:
+    std::vector<RealD> Coeffs;
+  public:
+    Polynomial(std::vector<RealD> &_Coeffs) : Coeffs(_Coeffs) { };
+
+    // Implement the required interface
+    void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
+
+      Field AtoN(in._grid);
+      Field Mtmp(in._grid);
+      AtoN = in;
+      out = AtoN*Coeffs[0];
+      for(int n=1;n<Coeffs.size();n++){
+	Mtmp = AtoN;
+	Linop.HermOp(Mtmp,AtoN);
+	out=out+AtoN*Coeffs[n];
+      }
+    };
+  };
 
 }
 

lib/algorithms/approx/Chebyshev.h

@@ -8,6 +8,7 @@
 
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 Author: paboyle <paboyle@ph.ed.ac.uk>
+Author: Christoph Lehner <clehner@bnl.gov>
 
     This program is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
@@ -33,41 +34,12 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 
 namespace Grid {
 
-  ////////////////////////////////////////////////////////////////////////////////////////////
-  // Simple general polynomial with user supplied coefficients
-  ////////////////////////////////////////////////////////////////////////////////////////////
-  template<class Field>
-  class HermOpOperatorFunction : public OperatorFunction<Field> {
-    void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
-      Linop.HermOp(in,out);
-    };
-  };
-
-  template<class Field>
-  class Polynomial : public OperatorFunction<Field> {
-  private:
-    std::vector<RealD> Coeffs;
-  public:
-    Polynomial(std::vector<RealD> &_Coeffs) : Coeffs(_Coeffs) { };
-
-    // Implement the required interface
-    void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
-
-      Field AtoN(in._grid);
-      Field Mtmp(in._grid);
-      AtoN = in;
-      out = AtoN*Coeffs[0];
-//            std::cout <<"Poly in " <<norm2(in)<<" size "<< Coeffs.size()<<std::endl;
-//            std::cout <<"Coeffs[0]= "<<Coeffs[0]<< " 0 " <<norm2(out)<<std::endl;
-      for(int n=1;n<Coeffs.size();n++){
-	Mtmp = AtoN;
-	Linop.HermOp(Mtmp,AtoN);
-	out=out+AtoN*Coeffs[n];
-//            std::cout <<"Coeffs "<<n<<"= "<< Coeffs[n]<< " 0 " <<std::endl;
-//		std::cout << n<<" " <<norm2(out)<<std::endl;
-      }
-    };
-  };
+struct ChebyParams : Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(ChebyParams,
+				  RealD, alpha,  
+				  RealD, beta,   
+				  int, Npoly);
+};
 
   ////////////////////////////////////////////////////////////////////////////////////////////
   // Generic Chebyshev approximations
@@ -82,8 +54,10 @@ namespace Grid {
 
   public:
     void csv(std::ostream &out){
-	RealD diff = hi-lo;
-      for (RealD x=lo-0.2*diff; x<hi+0.2*diff; x+=(hi-lo)/1000) {
+      RealD diff = hi-lo;
+      RealD delta = (hi-lo)*1.0e-9;
+      for (RealD x=lo; x<hi; x+=delta) {
+	delta*=1.1;
 	RealD f = approx(x);
 	out<< x<<" "<<f<<std::endl;
       }
@@ -99,6 +73,7 @@ namespace Grid {
     };
 
     Chebyshev(){};
+    Chebyshev(ChebyParams p){ Init(p.alpha,p.beta,p.Npoly);};
     Chebyshev(RealD _lo,RealD _hi,int _order, RealD (* func)(RealD) ) {Init(_lo,_hi,_order,func);};
     Chebyshev(RealD _lo,RealD _hi,int _order) {Init(_lo,_hi,_order);};
 
@@ -193,12 +168,54 @@ namespace Grid {
       return sum;
     };
 
+    RealD approxD(RealD x)
+    {
+      RealD Un;
+      RealD Unm;
+      RealD Unp;
+      
+      RealD y=( x-0.5*(hi+lo))/(0.5*(hi-lo));
+      
+      RealD U0=1;
+      RealD U1=2*y;
+      
+      RealD sum;
+      sum = Coeffs[1]*U0;
+      sum+= Coeffs[2]*U1*2.0;
+      
+      Un =U1;
+      Unm=U0;
+      for(int i=2;i<order-1;i++){
+	Unp=2*y*Un-Unm;
+	Unm=Un;
+	Un =Unp;
+	sum+= Un*Coeffs[i+1]*(i+1.0);
+      }
+      return sum/(0.5*(hi-lo));
+    };
+    
+    RealD approxInv(RealD z, RealD x0, int maxiter, RealD resid) {
+      RealD x = x0;
+      RealD eps;
+      
+      int i;
+      for (i=0;i<maxiter;i++) {
+	eps = approx(x) - z;
+	if (fabs(eps / z) < resid)
+	  return x;
+	x = x - eps / approxD(x);
+      }
+      
+      return std::numeric_limits<double>::quiet_NaN();
+    }
+    
     // Implement the required interface
     void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
 
       GridBase *grid=in._grid;
-//std::cout << "Chevyshef(): in._grid="<<in._grid<<std::endl;
-//<<" Linop.Grid()="<<Linop.Grid()<<"Linop.RedBlackGrid()="<<Linop.RedBlackGrid()<<std::endl;
+
+      // std::cout << "Chevyshef(): in._grid="<<in._grid<<std::endl;
+      //std::cout <<" Linop.Grid()="<<Linop.Grid()<<"Linop.RedBlackGrid()="<<Linop.RedBlackGrid()<<std::endl;
 
       int vol=grid->gSites();
 

lib/algorithms/approx/Forecast.h

@@ -0,0 +1,152 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/approx/Forecast.h
+
+Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+Author: David Murphy <dmurphy@phys.columbia.edu>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef INCLUDED_FORECAST_H
+#define INCLUDED_FORECAST_H
+
+namespace Grid {
+
+  // Abstract base class.
+  // Takes a matrix (Mat), a source (phi), and a vector of Fields (chi)
+  // and returns a forecasted solution to the system D*psi = phi (psi).
+  template<class Matrix, class Field>
+  class Forecast
+  {
+    public:
+      virtual Field operator()(Matrix &Mat, const Field& phi, const std::vector<Field>& chi) = 0;
+  };
+
+  // Implementation of Brower et al.'s chronological inverter (arXiv:hep-lat/9509012),
+  // used to forecast solutions across poles of the EOFA heatbath.
+  //
+  // Modified from CPS (cps_pp/src/util/dirac_op/d_op_base/comsrc/minresext.C)
+  template<class Matrix, class Field>
+  class ChronoForecast : public Forecast<Matrix,Field>
+  {
+    public:
+      Field operator()(Matrix &Mat, const Field& phi, const std::vector<Field>& prev_solns)
+      {
+        int degree = prev_solns.size();
+        Field chi(phi); // forecasted solution
+
+        // Trivial cases
+        if(degree == 0){ chi = zero; return chi; }
+        else if(degree == 1){ return prev_solns[0]; }
+
+        RealD dot;
+        ComplexD xp;
+        Field r(phi); // residual
+        Field Mv(phi);
+        std::vector<Field> v(prev_solns); // orthonormalized previous solutions
+        std::vector<Field> MdagMv(degree,phi);
+
+        // Array to hold the matrix elements
+        std::vector<std::vector<ComplexD>> G(degree, std::vector<ComplexD>(degree));
+
+        // Solution and source vectors
+        std::vector<ComplexD> a(degree);
+        std::vector<ComplexD> b(degree);
+
+        // Orthonormalize the vector basis
+        for(int i=0; i<degree; i++){
+          v[i] *= 1.0/std::sqrt(norm2(v[i]));
+          for(int j=i+1; j<degree; j++){ v[j] -= innerProduct(v[i],v[j]) * v[i]; }
+        }
+
+        // Perform sparse matrix multiplication and construct rhs
+        for(int i=0; i<degree; i++){
+          b[i] = innerProduct(v[i],phi);
+          Mat.M(v[i],Mv);
+          Mat.Mdag(Mv,MdagMv[i]);
+          G[i][i] = innerProduct(v[i],MdagMv[i]);
+        }
+
+        // Construct the matrix
+        for(int j=0; j<degree; j++){
+        for(int k=j+1; k<degree; k++){
+          G[j][k] = innerProduct(v[j],MdagMv[k]);
+          G[k][j] = std::conj(G[j][k]);
+        }}
+
+        // Gauss-Jordan elimination with partial pivoting
+        for(int i=0; i<degree; i++){
+
+          // Perform partial pivoting
+          int k = i;
+          for(int j=i+1; j<degree; j++){ if(std::abs(G[j][j]) > std::abs(G[k][k])){ k = j; } }
+          if(k != i){
+            xp = b[k];
+            b[k] = b[i];
+            b[i] = xp;
+            for(int j=0; j<degree; j++){
+              xp = G[k][j];
+              G[k][j] = G[i][j];
+              G[i][j] = xp;
+            }
+          }
+
+          // Convert matrix to upper triangular form
+          for(int j=i+1; j<degree; j++){
+            xp = G[j][i]/G[i][i];
+            b[j] -= xp * b[i];
+            for(int k=0; k<degree; k++){ G[j][k] -= xp*G[i][k]; }
+          }
+        }
+
+        // Use Gaussian elimination to solve equations and calculate initial guess
+        chi = zero;
+        r = phi;
+        for(int i=degree-1; i>=0; i--){
+          a[i] = 0.0;
+          for(int j=i+1; j<degree; j++){ a[i] += G[i][j] * a[j]; }
+          a[i] = (b[i]-a[i])/G[i][i];
+          chi += a[i]*v[i];
+          r -= a[i]*MdagMv[i];
+        }
+
+        RealD true_r(0.0);
+        ComplexD tmp;
+        for(int i=0; i<degree; i++){
+          tmp = -b[i];
+          for(int j=0; j<degree; j++){ tmp += G[i][j]*a[j]; }
+          tmp = std::conj(tmp)*tmp;
+          true_r += std::sqrt(tmp.real());
+        }
+
+        RealD error = std::sqrt(norm2(r)/norm2(phi));
+        std::cout << GridLogMessage << "ChronoForecast: |res|/|src| = " << error << std::endl;
+
+        return chi;
+      };
+  };
+
+}
+
+#endif

lib/algorithms/approx/MultiShiftFunction.cc

@@ -25,7 +25,7 @@ Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#include <Grid/Grid.h>
+#include <Grid/GridCore.h>
 
 namespace Grid {
 double MultiShiftFunction::approx(double x)

lib/algorithms/approx/Remez.h

@@ -16,7 +16,7 @@
 #define INCLUDED_ALG_REMEZ_H
 
 #include <stddef.h>
-#include <Config.h>
+#include <Grid/GridStd.h>
 
 #ifdef HAVE_LIBGMP
 #include "bigfloat.h"

lib/algorithms/iterative/BlockConjugateGradient.h

@@ -0,0 +1,606 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/BlockConjugateGradient.h
+
+Copyright (C) 2017
+
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_BLOCK_CONJUGATE_GRADIENT_H
+#define GRID_BLOCK_CONJUGATE_GRADIENT_H
+
+
+namespace Grid {
+
+enum BlockCGtype { BlockCG, BlockCGrQ, CGmultiRHS };
+
+//////////////////////////////////////////////////////////////////////////
+// Block conjugate gradient. Dimension zero should be the block direction
+//////////////////////////////////////////////////////////////////////////
+template <class Field>
+class BlockConjugateGradient : public OperatorFunction<Field> {
+ public:
+
+
+  typedef typename Field::scalar_type scomplex;
+
+  int blockDim ;
+  int Nblock;
+
+  BlockCGtype CGtype;
+  bool ErrorOnNoConverge;  // throw an assert when the CG fails to converge.
+                           // Defaults true.
+  RealD Tolerance;
+  Integer MaxIterations;
+  Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+  
+  BlockConjugateGradient(BlockCGtype cgtype,int _Orthog,RealD tol, Integer maxit, bool err_on_no_conv = true)
+    : Tolerance(tol), CGtype(cgtype),   blockDim(_Orthog),  MaxIterations(maxit), ErrorOnNoConverge(err_on_no_conv)
+  {};
+
+////////////////////////////////////////////////////////////////////////////////////////////////////
+// Thin QR factorisation (google it)
+////////////////////////////////////////////////////////////////////////////////////////////////////
+void ThinQRfact (Eigen::MatrixXcd &m_rr,
+		 Eigen::MatrixXcd &C,
+		 Eigen::MatrixXcd &Cinv,
+		 Field & Q,
+		 const Field & R)
+{
+  int Orthog = blockDim; // First dimension is block dim; this is an assumption
+  ////////////////////////////////////////////////////////////////////////////////////////////////////
+  //Dimensions
+  // R_{ferm x Nblock} =  Q_{ferm x Nblock} x  C_{Nblock x Nblock} -> ferm x Nblock
+  //
+  // Rdag R = m_rr = Herm = L L^dag        <-- Cholesky decomposition (LLT routine in Eigen)
+  //
+  //   Q  C = R => Q = R C^{-1}
+  //
+  // Want  Ident = Q^dag Q = C^{-dag} R^dag R C^{-1} = C^{-dag} L L^dag C^{-1} = 1_{Nblock x Nblock} 
+  //
+  // Set C = L^{dag}, and then Q^dag Q = ident 
+  //
+  // Checks:
+  // Cdag C = Rdag R ; passes.
+  // QdagQ  = 1      ; passes
+  ////////////////////////////////////////////////////////////////////////////////////////////////////
+  sliceInnerProductMatrix(m_rr,R,R,Orthog);
+
+  // Force manifest hermitian to avoid rounding related
+  m_rr = 0.5*(m_rr+m_rr.adjoint());
+
+#if 0
+  std::cout << " Calling Cholesky  ldlt on m_rr "  << m_rr <<std::endl;
+  Eigen::MatrixXcd L_ldlt = m_rr.ldlt().matrixL(); 
+  std::cout << " Called Cholesky  ldlt on m_rr "  << L_ldlt <<std::endl;
+  auto  D_ldlt = m_rr.ldlt().vectorD(); 
+  std::cout << " Called Cholesky  ldlt on m_rr "  << D_ldlt <<std::endl;
+#endif
+
+  //  std::cout << " Calling Cholesky  llt on m_rr "  <<std::endl;
+  Eigen::MatrixXcd L    = m_rr.llt().matrixL(); 
+  //  std::cout << " Called Cholesky  llt on m_rr "  << L <<std::endl;
+  C    = L.adjoint();
+  Cinv = C.inverse();
+  ////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Q = R C^{-1}
+  //
+  // Q_j  = R_i Cinv(i,j) 
+  //
+  // NB maddMatrix conventions are Right multiplication X[j] a[j,i] already
+  ////////////////////////////////////////////////////////////////////////////////////////////////////
+  sliceMulMatrix(Q,Cinv,R,Orthog);
+}
+////////////////////////////////////////////////////////////////////////////////////////////////////
+// Call one of several implementations
+////////////////////////////////////////////////////////////////////////////////////////////////////
+void operator()(LinearOperatorBase<Field> &Linop, const Field &Src, Field &Psi) 
+{
+  if ( CGtype == BlockCGrQ ) {
+    BlockCGrQsolve(Linop,Src,Psi);
+  } else if (CGtype == BlockCG ) {
+    BlockCGsolve(Linop,Src,Psi);
+  } else if (CGtype == CGmultiRHS ) {
+    CGmultiRHSsolve(Linop,Src,Psi);
+  } else {
+    assert(0);
+  }
+}
+
+////////////////////////////////////////////////////////////////////////////
+// BlockCGrQ implementation:
+//--------------------------
+// X is guess/Solution
+// B is RHS
+// Solve A X_i = B_i    ;        i refers to Nblock index
+////////////////////////////////////////////////////////////////////////////
+void BlockCGrQsolve(LinearOperatorBase<Field> &Linop, const Field &B, Field &X) 
+{
+  int Orthog = blockDim; // First dimension is block dim; this is an assumption
+  Nblock = B._grid->_fdimensions[Orthog];
+
+  std::cout<<GridLogMessage<<" Block Conjugate Gradient : Orthog "<<Orthog<<" Nblock "<<Nblock<<std::endl;
+
+  X.checkerboard = B.checkerboard;
+  conformable(X, B);
+
+  Field tmp(B);
+  Field Q(B);
+  Field D(B);
+  Field Z(B);
+  Field AD(B);
+
+  Eigen::MatrixXcd m_DZ     = Eigen::MatrixXcd::Identity(Nblock,Nblock);
+  Eigen::MatrixXcd m_M      = Eigen::MatrixXcd::Identity(Nblock,Nblock);
+  Eigen::MatrixXcd m_rr     = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+
+  Eigen::MatrixXcd m_C      = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+  Eigen::MatrixXcd m_Cinv   = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+  Eigen::MatrixXcd m_S      = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+  Eigen::MatrixXcd m_Sinv   = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+
+  Eigen::MatrixXcd m_tmp    = Eigen::MatrixXcd::Identity(Nblock,Nblock);
+  Eigen::MatrixXcd m_tmp1   = Eigen::MatrixXcd::Identity(Nblock,Nblock);
+
+  // Initial residual computation & set up
+  std::vector<RealD> residuals(Nblock);
+  std::vector<RealD> ssq(Nblock);
+
+  sliceNorm(ssq,B,Orthog);
+  RealD sssum=0;
+  for(int b=0;b<Nblock;b++) sssum+=ssq[b];
+
+  sliceNorm(residuals,B,Orthog);
+  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
+
+  sliceNorm(residuals,X,Orthog);
+  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
+
+  /************************************************************************
+   * Block conjugate gradient rQ (Sebastien Birk Thesis, after Dubrulle 2001)
+   ************************************************************************
+   * Dimensions:
+   *
+   *   X,B==(Nferm x Nblock)
+   *   A==(Nferm x Nferm)
+   *  
+   * Nferm = Nspin x Ncolour x Ncomplex x Nlattice_site
+   * 
+   * QC = R = B-AX, D = Q     ; QC => Thin QR factorisation (google it)
+   * for k: 
+   *   Z  = AD
+   *   M  = [D^dag Z]^{-1}
+   *   X  = X + D MC
+   *   QS = Q - ZM
+   *   D  = Q + D S^dag
+   *   C  = S C
+   */
+  ///////////////////////////////////////
+  // Initial block: initial search dir is guess
+  ///////////////////////////////////////
+  std::cout << GridLogMessage<<"BlockCGrQ algorithm initialisation " <<std::endl;
+
+  //1.  QC = R = B-AX, D = Q     ; QC => Thin QR factorisation (google it)
+
+  Linop.HermOp(X, AD);
+  tmp = B - AD;  
+  //std::cout << GridLogMessage << " initial tmp " << norm2(tmp)<< std::endl;
+  ThinQRfact (m_rr, m_C, m_Cinv, Q, tmp);
+  //std::cout << GridLogMessage << " initial Q " << norm2(Q)<< std::endl;
+  //std::cout << GridLogMessage << " m_rr " << m_rr<<std::endl;
+  //std::cout << GridLogMessage << " m_C " << m_C<<std::endl;
+  //std::cout << GridLogMessage << " m_Cinv " << m_Cinv<<std::endl;
+  D=Q;
+
+  std::cout << GridLogMessage<<"BlockCGrQ computed initial residual and QR fact " <<std::endl;
+
+  ///////////////////////////////////////
+  // Timers
+  ///////////////////////////////////////
+  GridStopWatch sliceInnerTimer;
+  GridStopWatch sliceMaddTimer;
+  GridStopWatch QRTimer;
+  GridStopWatch MatrixTimer;
+  GridStopWatch SolverTimer;
+  SolverTimer.Start();
+
+  int k;
+  for (k = 1; k <= MaxIterations; k++) {
+
+    //3. Z  = AD
+    MatrixTimer.Start();
+    Linop.HermOp(D, Z);      
+    MatrixTimer.Stop();
+    //std::cout << GridLogMessage << " norm2 Z " <<norm2(Z)<<std::endl;
+
+    //4. M  = [D^dag Z]^{-1}
+    sliceInnerTimer.Start();
+    sliceInnerProductMatrix(m_DZ,D,Z,Orthog);
+    sliceInnerTimer.Stop();
+    m_M       = m_DZ.inverse();
+    //std::cout << GridLogMessage << " m_DZ " <<m_DZ<<std::endl;
+    
+    //5. X  = X + D MC
+    m_tmp     = m_M * m_C;
+    sliceMaddTimer.Start();
+    sliceMaddMatrix(X,m_tmp, D,X,Orthog);     
+    sliceMaddTimer.Stop();
+
+    //6. QS = Q - ZM
+    sliceMaddTimer.Start();
+    sliceMaddMatrix(tmp,m_M,Z,Q,Orthog,-1.0);
+    sliceMaddTimer.Stop();
+    QRTimer.Start();
+    ThinQRfact (m_rr, m_S, m_Sinv, Q, tmp);
+    QRTimer.Stop();
+    
+    //7. D  = Q + D S^dag
+    m_tmp = m_S.adjoint();
+    sliceMaddTimer.Start();
+    sliceMaddMatrix(D,m_tmp,D,Q,Orthog);
+    sliceMaddTimer.Stop();
+
+    //8. C  = S C
+    m_C = m_S*m_C;
+    
+    /*********************
+     * convergence monitor
+     *********************
+     */
+    m_rr = m_C.adjoint() * m_C;
+
+    RealD max_resid=0;
+    RealD rrsum=0;
+    RealD rr;
+
+    for(int b=0;b<Nblock;b++) {
+      rrsum+=real(m_rr(b,b));
+      rr = real(m_rr(b,b))/ssq[b];
+      if ( rr > max_resid ) max_resid = rr;
+    }
+
+    std::cout << GridLogIterative << "\titeration "<<k<<" rr_sum "<<rrsum<<" ssq_sum "<< sssum
+	      <<" ave "<<std::sqrt(rrsum/sssum) << " max "<< max_resid <<std::endl;
+
+    if ( max_resid < Tolerance*Tolerance ) { 
+
+      SolverTimer.Stop();
+
+      std::cout << GridLogMessage<<"BlockCGrQ converged in "<<k<<" iterations"<<std::endl;
+
+      for(int b=0;b<Nblock;b++){
+	std::cout << GridLogMessage<< "\t\tblock "<<b<<" computed resid "
+		  << std::sqrt(real(m_rr(b,b))/ssq[b])<<std::endl;
+      }
+      std::cout << GridLogMessage<<"\tMax residual is "<<std::sqrt(max_resid)<<std::endl;
+
+      Linop.HermOp(X, AD);
+      AD = AD-B;
+      std::cout << GridLogMessage <<"\t True residual is " << std::sqrt(norm2(AD)/norm2(B)) <<std::endl;
+
+      std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
+      std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tInnerProd  " << sliceInnerTimer.Elapsed() <<std::endl;
+      std::cout << GridLogMessage << "\tMaddMatrix " << sliceMaddTimer.Elapsed()  <<std::endl;
+      std::cout << GridLogMessage << "\tThinQRfact " << QRTimer.Elapsed()  <<std::endl;
+	    
+      IterationsToComplete = k;
+      return;
+    }
+
+  }
+  std::cout << GridLogMessage << "BlockConjugateGradient(rQ) did NOT converge" << std::endl;
+
+  if (ErrorOnNoConverge) assert(0);
+  IterationsToComplete = k;
+}
+//////////////////////////////////////////////////////////////////////////
+// Block conjugate gradient; Original O'Leary Dimension zero should be the block direction
+//////////////////////////////////////////////////////////////////////////
+void BlockCGsolve(LinearOperatorBase<Field> &Linop, const Field &Src, Field &Psi) 
+{
+  int Orthog = blockDim; // First dimension is block dim; this is an assumption
+  Nblock = Src._grid->_fdimensions[Orthog];
+
+  std::cout<<GridLogMessage<<" Block Conjugate Gradient : Orthog "<<Orthog<<" Nblock "<<Nblock<<std::endl;
+
+  Psi.checkerboard = Src.checkerboard;
+  conformable(Psi, Src);
+
+  Field P(Src);
+  Field AP(Src);
+  Field R(Src);
+  
+  Eigen::MatrixXcd m_pAp    = Eigen::MatrixXcd::Identity(Nblock,Nblock);
+  Eigen::MatrixXcd m_pAp_inv= Eigen::MatrixXcd::Identity(Nblock,Nblock);
+  Eigen::MatrixXcd m_rr     = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+  Eigen::MatrixXcd m_rr_inv = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+
+  Eigen::MatrixXcd m_alpha      = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+  Eigen::MatrixXcd m_beta   = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+
+  // Initial residual computation & set up
+  std::vector<RealD> residuals(Nblock);
+  std::vector<RealD> ssq(Nblock);
+
+  sliceNorm(ssq,Src,Orthog);
+  RealD sssum=0;
+  for(int b=0;b<Nblock;b++) sssum+=ssq[b];
+
+  sliceNorm(residuals,Src,Orthog);
+  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
+
+  sliceNorm(residuals,Psi,Orthog);
+  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
+
+  // Initial search dir is guess
+  Linop.HermOp(Psi, AP);
+  
+
+  /************************************************************************
+   * Block conjugate gradient (Stephen Pickles, thesis 1995, pp 71, O Leary 1980)
+   ************************************************************************
+   * O'Leary : R = B - A X
+   * O'Leary : P = M R ; preconditioner M = 1
+   * O'Leary : alpha = PAP^{-1} RMR
+   * O'Leary : beta  = RMR^{-1}_old RMR_new
+   * O'Leary : X=X+Palpha
+   * O'Leary : R_new=R_old-AP alpha
+   * O'Leary : P=MR_new+P beta
+   */
+
+  R = Src - AP;  
+  P = R;
+  sliceInnerProductMatrix(m_rr,R,R,Orthog);
+
+  GridStopWatch sliceInnerTimer;
+  GridStopWatch sliceMaddTimer;
+  GridStopWatch MatrixTimer;
+  GridStopWatch SolverTimer;
+  SolverTimer.Start();
+
+  int k;
+  for (k = 1; k <= MaxIterations; k++) {
+
+    RealD rrsum=0;
+    for(int b=0;b<Nblock;b++) rrsum+=real(m_rr(b,b));
+
+    std::cout << GridLogIterative << "\titeration "<<k<<" rr_sum "<<rrsum<<" ssq_sum "<< sssum
+	      <<" / "<<std::sqrt(rrsum/sssum) <<std::endl;
+
+    MatrixTimer.Start();
+    Linop.HermOp(P, AP);
+    MatrixTimer.Stop();
+
+    // Alpha
+    sliceInnerTimer.Start();
+    sliceInnerProductMatrix(m_pAp,P,AP,Orthog);
+    sliceInnerTimer.Stop();
+    m_pAp_inv = m_pAp.inverse();
+    m_alpha   = m_pAp_inv * m_rr ;
+
+    // Psi, R update
+    sliceMaddTimer.Start();
+    sliceMaddMatrix(Psi,m_alpha, P,Psi,Orthog);     // add alpha *  P to psi
+    sliceMaddMatrix(R  ,m_alpha,AP,  R,Orthog,-1.0);// sub alpha * AP to resid
+    sliceMaddTimer.Stop();
+
+    // Beta
+    m_rr_inv = m_rr.inverse();
+    sliceInnerTimer.Start();
+    sliceInnerProductMatrix(m_rr,R,R,Orthog);
+    sliceInnerTimer.Stop();
+    m_beta = m_rr_inv *m_rr;
+
+    // Search update
+    sliceMaddTimer.Start();
+    sliceMaddMatrix(AP,m_beta,P,R,Orthog);
+    sliceMaddTimer.Stop();
+    P= AP;
+
+    /*********************
+     * convergence monitor
+     *********************
+     */
+    RealD max_resid=0;
+    RealD rr;
+    for(int b=0;b<Nblock;b++){
+      rr = real(m_rr(b,b))/ssq[b];
+      if ( rr > max_resid ) max_resid = rr;
+    }
+    
+    if ( max_resid < Tolerance*Tolerance ) { 
+
+      SolverTimer.Stop();
+
+      std::cout << GridLogMessage<<"BlockCG converged in "<<k<<" iterations"<<std::endl;
+      for(int b=0;b<Nblock;b++){
+	std::cout << GridLogMessage<< "\t\tblock "<<b<<" computed resid "
+		  << std::sqrt(real(m_rr(b,b))/ssq[b])<<std::endl;
+      }
+      std::cout << GridLogMessage<<"\tMax residual is "<<std::sqrt(max_resid)<<std::endl;
+
+      Linop.HermOp(Psi, AP);
+      AP = AP-Src;
+      std::cout << GridLogMessage <<"\t True residual is " << std::sqrt(norm2(AP)/norm2(Src)) <<std::endl;
+
+      std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
+      std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tInnerProd  " << sliceInnerTimer.Elapsed() <<std::endl;
+      std::cout << GridLogMessage << "\tMaddMatrix " << sliceMaddTimer.Elapsed()  <<std::endl;
+	    
+      IterationsToComplete = k;
+      return;
+    }
+
+  }
+  std::cout << GridLogMessage << "BlockConjugateGradient did NOT converge" << std::endl;
+
+  if (ErrorOnNoConverge) assert(0);
+  IterationsToComplete = k;
+}
+//////////////////////////////////////////////////////////////////////////
+// multiRHS conjugate gradient. Dimension zero should be the block direction
+// Use this for spread out across nodes
+//////////////////////////////////////////////////////////////////////////
+void CGmultiRHSsolve(LinearOperatorBase<Field> &Linop, const Field &Src, Field &Psi) 
+{
+  int Orthog = blockDim; // First dimension is block dim
+  Nblock = Src._grid->_fdimensions[Orthog];
+
+  std::cout<<GridLogMessage<<"MultiRHS Conjugate Gradient : Orthog "<<Orthog<<" Nblock "<<Nblock<<std::endl;
+
+  Psi.checkerboard = Src.checkerboard;
+  conformable(Psi, Src);
+
+  Field P(Src);
+  Field AP(Src);
+  Field R(Src);
+  
+  std::vector<ComplexD> v_pAp(Nblock);
+  std::vector<RealD> v_rr (Nblock);
+  std::vector<RealD> v_rr_inv(Nblock);
+  std::vector<RealD> v_alpha(Nblock);
+  std::vector<RealD> v_beta(Nblock);
+
+  // Initial residual computation & set up
+  std::vector<RealD> residuals(Nblock);
+  std::vector<RealD> ssq(Nblock);
+
+  sliceNorm(ssq,Src,Orthog);
+  RealD sssum=0;
+  for(int b=0;b<Nblock;b++) sssum+=ssq[b];
+
+  sliceNorm(residuals,Src,Orthog);
+  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
+
+  sliceNorm(residuals,Psi,Orthog);
+  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
+
+  // Initial search dir is guess
+  Linop.HermOp(Psi, AP);
+
+  R = Src - AP;  
+  P = R;
+  sliceNorm(v_rr,R,Orthog);
+
+  GridStopWatch sliceInnerTimer;
+  GridStopWatch sliceMaddTimer;
+  GridStopWatch sliceNormTimer;
+  GridStopWatch MatrixTimer;
+  GridStopWatch SolverTimer;
+
+  SolverTimer.Start();
+  int k;
+  for (k = 1; k <= MaxIterations; k++) {
+
+    RealD rrsum=0;
+    for(int b=0;b<Nblock;b++) rrsum+=real(v_rr[b]);
+
+    std::cout << GridLogIterative << "\titeration "<<k<<" rr_sum "<<rrsum<<" ssq_sum "<< sssum
+	      <<" / "<<std::sqrt(rrsum/sssum) <<std::endl;
+
+    MatrixTimer.Start();
+    Linop.HermOp(P, AP);
+    MatrixTimer.Stop();
+
+    // Alpha
+    sliceInnerTimer.Start();
+    sliceInnerProductVector(v_pAp,P,AP,Orthog);
+    sliceInnerTimer.Stop();
+    for(int b=0;b<Nblock;b++){
+      v_alpha[b] = v_rr[b]/real(v_pAp[b]);
+    }
+
+    // Psi, R update
+    sliceMaddTimer.Start();
+    sliceMaddVector(Psi,v_alpha, P,Psi,Orthog);     // add alpha *  P to psi
+    sliceMaddVector(R  ,v_alpha,AP,  R,Orthog,-1.0);// sub alpha * AP to resid
+    sliceMaddTimer.Stop();
+
+    // Beta
+    for(int b=0;b<Nblock;b++){
+      v_rr_inv[b] = 1.0/v_rr[b];
+    }
+    sliceNormTimer.Start();
+    sliceNorm(v_rr,R,Orthog);
+    sliceNormTimer.Stop();
+    for(int b=0;b<Nblock;b++){
+      v_beta[b] = v_rr_inv[b] *v_rr[b];
+    }
+
+    // Search update
+    sliceMaddTimer.Start();
+    sliceMaddVector(P,v_beta,P,R,Orthog);
+    sliceMaddTimer.Stop();
+
+    /*********************
+     * convergence monitor
+     *********************
+     */
+    RealD max_resid=0;
+    for(int b=0;b<Nblock;b++){
+      RealD rr = v_rr[b]/ssq[b];
+      if ( rr > max_resid ) max_resid = rr;
+    }
+    
+    if ( max_resid < Tolerance*Tolerance ) { 
+
+      SolverTimer.Stop();
+
+      std::cout << GridLogMessage<<"MultiRHS solver converged in " <<k<<" iterations"<<std::endl;
+      for(int b=0;b<Nblock;b++){
+	std::cout << GridLogMessage<< "\t\tBlock "<<b<<" computed resid "<< std::sqrt(v_rr[b]/ssq[b])<<std::endl;
+      }
+      std::cout << GridLogMessage<<"\tMax residual is "<<std::sqrt(max_resid)<<std::endl;
+
+      Linop.HermOp(Psi, AP);
+      AP = AP-Src;
+      std::cout <<GridLogMessage << "\tTrue residual is " << std::sqrt(norm2(AP)/norm2(Src)) <<std::endl;
+
+      std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
+      std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tInnerProd  " << sliceInnerTimer.Elapsed() <<std::endl;
+      std::cout << GridLogMessage << "\tNorm       " << sliceNormTimer.Elapsed() <<std::endl;
+      std::cout << GridLogMessage << "\tMaddMatrix " << sliceMaddTimer.Elapsed()  <<std::endl;
+
+
+      IterationsToComplete = k;
+      return;
+    }
+
+  }
+  std::cout << GridLogMessage << "MultiRHSConjugateGradient did NOT converge" << std::endl;
+
+  if (ErrorOnNoConverge) assert(0);
+  IterationsToComplete = k;
+}
+
+};
+
+}
+#endif

lib/algorithms/iterative/ConjugateGradient.h

@@ -45,13 +45,15 @@ class ConjugateGradient : public OperatorFunction<Field> {
                            // Defaults true.
   RealD Tolerance;
   Integer MaxIterations;
+  Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+  
   ConjugateGradient(RealD tol, Integer maxit, bool err_on_no_conv = true)
       : Tolerance(tol),
         MaxIterations(maxit),
         ErrorOnNoConverge(err_on_no_conv){};
 
-  void operator()(LinearOperatorBase<Field> &Linop, const Field &src,
-                  Field &psi) {
+  void operator()(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi) {
+
     psi.checkerboard = src.checkerboard;
     conformable(psi, src);
 
@@ -76,18 +78,12 @@ class ConjugateGradient : public OperatorFunction<Field> {
     cp = a;
     ssq = norm2(src);
 
-    std::cout << GridLogIterative << std::setprecision(4)
-              << "ConjugateGradient: guess " << guess << std::endl;
-    std::cout << GridLogIterative << std::setprecision(4)
-              << "ConjugateGradient:   src " << ssq << std::endl;
-    std::cout << GridLogIterative << std::setprecision(4)
-              << "ConjugateGradient:    mp " << d << std::endl;
-    std::cout << GridLogIterative << std::setprecision(4)
-              << "ConjugateGradient:   mmp " << b << std::endl;
-    std::cout << GridLogIterative << std::setprecision(4)
-              << "ConjugateGradient:  cp,r " << cp << std::endl;
-    std::cout << GridLogIterative << std::setprecision(4)
-              << "ConjugateGradient:     p " << a << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient: guess " << guess << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:   src " << ssq << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:    mp " << d << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:   mmp " << b << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:  cp,r " << cp << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:     p " << a << std::endl;
 
     RealD rsq = Tolerance * Tolerance * ssq;
 
@@ -96,9 +92,8 @@ class ConjugateGradient : public OperatorFunction<Field> {
       return;
     }
 
-    std::cout << GridLogIterative << std::setprecision(4)
-              << "ConjugateGradient: k=0 residual " << cp << " target " << rsq
-              << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8)
+              << "ConjugateGradient: k=0 residual " << cp << " target " << rsq << std::endl;
 
     GridStopWatch LinalgTimer;
     GridStopWatch MatrixTimer;
@@ -128,8 +123,11 @@ class ConjugateGradient : public OperatorFunction<Field> {
       p = p * b + r;
 
       LinalgTimer.Stop();
+
       std::cout << GridLogIterative << "ConjugateGradient: Iteration " << k
                 << " residual " << cp << " target " << rsq << std::endl;
+      std::cout << GridLogDebug << "a = "<< a << " b_pred = "<< b_pred << "  b = "<< b << std::endl;
+      std::cout << GridLogDebug << "qq = "<< qq << " d = "<< d << "  c = "<< c << std::endl;
 
       // Stopping condition
       if (cp <= rsq) {
@@ -137,31 +135,33 @@ class ConjugateGradient : public OperatorFunction<Field> {
         Linop.HermOpAndNorm(psi, mmp, d, qq);
         p = mmp - src;
 
-        RealD mmpnorm = sqrt(norm2(mmp));
-        RealD psinorm = sqrt(norm2(psi));
         RealD srcnorm = sqrt(norm2(src));
         RealD resnorm = sqrt(norm2(p));
         RealD true_residual = resnorm / srcnorm;
 
-        std::cout << GridLogMessage
-                  << "ConjugateGradient: Converged on iteration " << k << std::endl;
-        std::cout << GridLogMessage << "Computed residual " << sqrt(cp / ssq)
-                  << " true residual " << true_residual << " target "
-                  << Tolerance << std::endl;
-        std::cout << GridLogMessage << "Time elapsed: Iterations "
-                  << SolverTimer.Elapsed() << " Matrix  "
-                  << MatrixTimer.Elapsed() << " Linalg "
-                  << LinalgTimer.Elapsed();
-        std::cout << std::endl;
+        std::cout << GridLogMessage << "ConjugateGradient Converged on iteration " << k << std::endl;
+        std::cout << GridLogMessage << "\tComputed residual " << sqrt(cp / ssq)<<std::endl;
+	std::cout << GridLogMessage << "\tTrue residual " << true_residual<<std::endl;
+	std::cout << GridLogMessage << "\tTarget " << Tolerance << std::endl;
+
+        std::cout << GridLogMessage << "Time breakdown "<<std::endl;
+	std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tLinalg     " << LinalgTimer.Elapsed() <<std::endl;
 
         if (ErrorOnNoConverge) assert(true_residual / Tolerance < 10000.0);
 
+	IterationsToComplete = k;	
+
         return;
       }
     }
     std::cout << GridLogMessage << "ConjugateGradient did NOT converge"
               << std::endl;
+
     if (ErrorOnNoConverge) assert(0);
+    IterationsToComplete = k;
+
   }
 };
 }

lib/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -35,6 +35,7 @@ namespace Grid {
   class MixedPrecisionConjugateGradient : public LinearFunction<FieldD> {
   public:                                                
     RealD   Tolerance;
+    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
     Integer MaxInnerIterations;
     Integer MaxOuterIterations;
     GridBase* SinglePrecGrid; //Grid for single-precision fields
@@ -42,12 +43,16 @@ namespace Grid {
     LinearOperatorBase<FieldF> &Linop_f;
     LinearOperatorBase<FieldD> &Linop_d;
 
+    Integer TotalInnerIterations; //Number of inner CG iterations
+    Integer TotalOuterIterations; //Number of restarts
+    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
+
     //Option to speed up *inner single precision* solves using a LinearFunction that produces a guess
     LinearFunction<FieldF> *guesser;
     
     MixedPrecisionConjugateGradient(RealD tol, Integer maxinnerit, Integer maxouterit, GridBase* _sp_grid, LinearOperatorBase<FieldF> &_Linop_f, LinearOperatorBase<FieldD> &_Linop_d) :
       Linop_f(_Linop_f), Linop_d(_Linop_d),
-      Tolerance(tol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid),
+      Tolerance(tol), InnerTolerance(tol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid),
       OuterLoopNormMult(100.), guesser(NULL){ };
 
     void useGuesser(LinearFunction<FieldF> &g){
@@ -55,9 +60,8 @@ namespace Grid {
     }
   
     void operator() (const FieldD &src_d_in, FieldD &sol_d){
-	(*this)(src_d_in,sol_d,NULL);
-    }
-    void operator() (const FieldD &src_d_in, FieldD &sol_d, RealD *shift){
+      TotalInnerIterations = 0;
+	
       GridStopWatch TotalTimer;
       TotalTimer.Start();
     
@@ -77,7 +81,7 @@ namespace Grid {
       FieldD src_d(DoublePrecGrid);
       src_d = src_d_in; //source for next inner iteration, computed from residual during operation
     
-      RealD inner_tol = Tolerance;
+      RealD inner_tol = InnerTolerance;
     
       FieldF src_f(SinglePrecGrid);
       src_f.checkerboard = cb;
@@ -85,17 +89,18 @@ namespace Grid {
       FieldF sol_f(SinglePrecGrid);
       sol_f.checkerboard = cb;
     
-      ConjugateGradientShifted<FieldF> CG_f(inner_tol, MaxInnerIterations);
+      ConjugateGradient<FieldF> CG_f(inner_tol, MaxInnerIterations);
       CG_f.ErrorOnNoConverge = false;
 
       GridStopWatch InnerCGtimer;
 
       GridStopWatch PrecChangeTimer;
     
-      for(Integer outer_iter = 0; outer_iter < MaxOuterIterations; outer_iter++){
+      Integer &outer_iter = TotalOuterIterations; //so it will be equal to the final iteration count
+      
+      for(outer_iter = 0; outer_iter < MaxOuterIterations; outer_iter++){
 	//Compute double precision rsd and also new RHS vector.
 	Linop_d.HermOp(sol_d, tmp_d);
-	if(shift) axpy(tmp_d,*shift,sol_d,tmp_d);
 	RealD norm = axpy_norm(src_d, -1., tmp_d, src_d_in); //src_d is residual vector
       
 	std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration " <<outer_iter<<" residual "<< norm<< " target "<< stop<<std::endl;
@@ -119,8 +124,9 @@ namespace Grid {
 	//Inner CG
 	CG_f.Tolerance = inner_tol;
 	InnerCGtimer.Start();
-	CG_f(Linop_f, src_f, sol_f,shift);
+	CG_f(Linop_f, src_f, sol_f);
 	InnerCGtimer.Stop();
+	TotalInnerIterations += CG_f.IterationsToComplete;
       
 	//Convert sol back to double and add to double prec solution
 	PrecChangeTimer.Start();
@@ -133,11 +139,13 @@ namespace Grid {
       //Final trial CG
       std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Starting final patch-up double-precision solve"<<std::endl;
     
-      ConjugateGradientShifted<FieldD> CG_d(Tolerance, MaxInnerIterations);
-      CG_d(Linop_d, src_d_in, sol_d,shift);
+      ConjugateGradient<FieldD> CG_d(Tolerance, MaxInnerIterations);
+      CG_d(Linop_d, src_d_in, sol_d);
+      TotalFinalStepIterations = CG_d.IterationsToComplete;
 
       TotalTimer.Stop();
-      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Total " << TotalTimer.Elapsed() << " Precision change " << PrecChangeTimer.Elapsed() << " Inner CG total " << InnerCGtimer.Elapsed() << std::endl;
+      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Inner CG iterations " << TotalInnerIterations << " Restarts " << TotalOuterIterations << " Final CG iterations " << TotalFinalStepIterations << std::endl;
+      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Total time " << TotalTimer.Elapsed() << " Precision change " << PrecChangeTimer.Elapsed() << " Inner CG total " << InnerCGtimer.Elapsed() << std::endl;
     }
   };
 

lib/algorithms/iterative/ConjugateGradientMultiShift.h

@@ -45,7 +45,6 @@ public:
     Integer MaxIterations;
     int verbose;
     MultiShiftFunction shifts;
-    int iter;
 
     ConjugateGradientMultiShift(Integer maxit,MultiShiftFunction &_shifts) : 
 	MaxIterations(maxit),
@@ -61,7 +60,6 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, Field &psi)
   std::vector<Field> results(nshift,grid);
   (*this)(Linop,src,results,psi);
 }
-
 void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector<Field> &results, Field &psi)
 {
   int nshift = shifts.order;
@@ -107,12 +105,11 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
   RealD a,b,c,d;
   RealD cp,bp,qq; //prev
   
-  int cb=src.checkerboard;
   // Matrix mult fields
   Field r(grid);
-  Field p(grid); p.checkerboard = src.checkerboard;
+  Field p(grid);
   Field tmp(grid);
-  Field mmp(grid);mmp.checkerboard = src.checkerboard;
+  Field mmp(grid);
   
   // Check lightest mass
   for(int s=0;s<nshift;s++){
@@ -135,9 +132,6 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
   p=src;
   
   //MdagM+m[0]
-  std::cout << "p.checkerboard " << p.checkerboard
-  << "mmp.checkerboard " << mmp.checkerboard << std::endl;
-
   Linop.HermOpAndNorm(p,mmp,d,qq);
   axpy(mmp,mass[0],p,mmp);
   RealD rn = norm2(p);
@@ -275,7 +269,6 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
 	RealD cn = norm2(src);
 	std::cout<<GridLogMessage<<"CGMultiShift: shift["<<s<<"] true residual "<<std::sqrt(rn/cn)<<std::endl;
       }
-      iter = k;
       return;
     }
   }

lib/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h

@@ -1,404 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h
-
-    Copyright (C) 2015
-
-Author: Chulwoo Jung <chulwoo@quark.phy.bnl.gov>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END/ LEGAL */
-#ifndef GRID_CONJUGATE_GRADIENT_MULTI_MIXED_PREC_H
-#define GRID_CONJUGATE_GRADIENT_MULTI_MIXED_PREC_H
-
-namespace Grid {
-
-  //Mixed precision restarted defect correction CG
-  template<class FieldD,class FieldF
-//, typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0
-//, typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0
-> 
-  class MixedPrecisionConjugateGradientMultiShift : public LinearFunction<FieldD> {
-  public:                                                
-//    RealD   Tolerance;
-    Integer MaxInnerIterations;
-    Integer MaxOuterIterations;
-    GridBase* SinglePrecGrid; //Grid for single-precision fields
-    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
-    LinearOperatorBase<FieldF> &Linop_f;
-    LinearOperatorBase<FieldD> &Linop_d;
-    MultiShiftFunction shifts;
-    Integer iter;
-
-    //Option to speed up *inner single precision* solves using a LinearFunction that produces a guess
-//    LinearFunction<FieldF> *guesser;
-    
-    MixedPrecisionConjugateGradientMultiShift(GridBase* _sp_grid, LinearOperatorBase<FieldF> &_Linop_f, LinearOperatorBase<FieldD> &_Linop_d, 
-Integer maxinnerit,	MultiShiftFunction &_shifts ) :
-      Linop_f(_Linop_f), Linop_d(_Linop_d),
-      MaxInnerIterations(maxinnerit), SinglePrecGrid(_sp_grid),
-      OuterLoopNormMult(100.), shifts(_shifts) {};
-
-  
-    void operator() (const FieldD &src_d_in, FieldD &sol_d){
-	assert(0); // not yet implemented
-    }
-    void operator() (const FieldD &src_d_in, std::vector<FieldD> &sol_d){
-      GridStopWatch TotalTimer;
-      TotalTimer.Start();
-    
-      int cb = src_d_in.checkerboard;
-
-      int nshift = shifts.order;
-      assert(nshift == sol_d.size());
-      for(int i=0;i<nshift;i++) sol_d[i].checkerboard = cb;
-    
-      RealD src_norm = norm2(src_d_in);
-//      RealD stop = src_norm * Tolerance*Tolerance;
-
-      GridBase* DoublePrecGrid = src_d_in._grid;
-      FieldD tmp_d(DoublePrecGrid); tmp_d.checkerboard = cb;
-    
-      FieldD tmp2_d(DoublePrecGrid); tmp2_d.checkerboard = cb;
-    
-      FieldD src_d(DoublePrecGrid);
-      src_d = src_d_in; //source for next inner iteration, computed from residual during operation
-    
-//      RealD inner_tol = Tolerance;
-  	FieldD psi_d(DoublePrecGrid);psi_d.checkerboard = cb;
-    
-      FieldF src_f(SinglePrecGrid);
-      src_f.checkerboard = cb;
-    
-      std::vector<FieldF> sol_f(nshift,SinglePrecGrid);
-      for(int i=0;i<nshift;i++) sol_f[i].checkerboard = cb;
-    
-//      ConjugateGradientShifted<FieldF> CG_f(inner_tol, MaxInnerIterations);
-      ConjugateGradientMultiShift<FieldF> MSCG(MaxInnerIterations,shifts);
-//      CG_f.ErrorOnNoConverge = false;
-
-      GridStopWatch InnerCGtimer;
-
-      GridStopWatch PrecChangeTimer;
-    
-{
-//	std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration " <<outer_iter<<" residual "<< norm<< " target "<< stop<<std::endl;
-
-//	if(norm < OuterLoopNormMult * stop){
-//	  std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration converged on iteration " <<outer_iter <<std::endl;
-//	  break;
-//	}
-//	while(norm * inner_tol * inner_tol < stop) inner_tol *= 2;  // inner_tol = sqrt(stop/norm) ??
-
-	PrecChangeTimer.Start();
-	precisionChange(src_f, src_d);
-	PrecChangeTimer.Stop();
-      
-//	zeroit(sol_f);
-
-
-	//Inner CG
-	InnerCGtimer.Start();
-  int if_relup = 0;
-#if 0
-        MSCG(Linop_f,src_f,sol_f);
-#else
-{
-  
-  GridBase *grid = SinglePrecGrid;
-  
-  ////////////////////////////////////////////////////////////////////////
-  // Convenience references to the info stored in "MultiShiftFunction"
-  ////////////////////////////////////////////////////////////////////////
-  int nshift = shifts.order;
-
-
-  std::vector<RealD> &mass(shifts.poles); // Make references to array in "shifts"
-  std::vector<RealD> &mresidual(shifts.tolerances);
-  std::vector<RealD> alpha(nshift,1.);
-  std::vector<FieldF>   ps(nshift,grid);// Search directions
-
-  assert(sol_f.size()==nshift);
-  assert(mass.size()==nshift);
-  assert(mresidual.size()==nshift);
-  
-  // dynamic sized arrays on stack; 2d is a pain with vector
-  RealD  bs[nshift];
-  RealD  rsq[nshift];
-  RealD  z[nshift][2];
-  int     converged[nshift];
-  
-  const int       primary =0;
-  
-  //Primary shift fields CG iteration
-  RealD a,b,c,d;
-  RealD cp,bp,qq; //prev
-  
-  int cb=src_f.checkerboard;
-  // Matrix mult fields
-  FieldF r(grid); r.checkerboard = src_f.checkerboard;
-  FieldF p(grid); p.checkerboard = src_f.checkerboard;
-  FieldF tmp(grid); tmp.checkerboard = src_f.checkerboard;
-  FieldF mmp(grid);mmp.checkerboard = src_f.checkerboard;
-  FieldF psi(grid);psi.checkerboard = src_f.checkerboard;
-    std::cout.precision(12);
-    std::cout<<GridLogMessage<<"norm2(psi_d)= "<<norm2(psi_d)<<std::endl;
-    std::cout<<GridLogMessage<<"norm2(psi)= "<<norm2(psi)<<std::endl;
-  
-  
-  // Check lightest mass
-  for(int s=0;s<nshift;s++){
-    assert( mass[s]>= mass[primary] );
-    converged[s]=0;
-  }
-  
-  // Wire guess to zero
-  // Residuals "r" are src
-  // First search direction "p" is also src
-  cp = norm2(src_f);
-  Real c_relup = cp;
-  for(int s=0;s<nshift;s++){
-    rsq[s] = cp * mresidual[s] * mresidual[s];
-    std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradientMultiShift: shift "<<s
-	     <<" target resid "<<rsq[s]<<std::endl;
-    ps[s] = src_f;
-  }
-  // r and p for primary
-  r=src_f;
-  p=src_f;
-  
-  //MdagM+m[0]
-  std::cout << "p.checkerboard " << p.checkerboard
-  << "mmp.checkerboard " << mmp.checkerboard << std::endl;
-
-  Linop_f.HermOpAndNorm(p,mmp,d,qq);
-  axpy(mmp,mass[0],p,mmp);
-  RealD rn = norm2(p);
-  d += rn*mass[0];
-  
-  // have verified that inner product of 
-  // p and mmp is equal to d after this since
-  // the d computation is tricky
-  //  qq = real(innerProduct(p,mmp));
-  //  std::cout<<GridLogMessage << "debug equal ?  qq "<<qq<<" d "<< d<<std::endl;
-  
-  b = -cp /d;
-  
-  // Set up the various shift variables
-  int       iz=0;
-  z[0][1-iz] = 1.0;
-  z[0][iz]   = 1.0;
-  bs[0]      = b;
-  for(int s=1;s<nshift;s++){
-    z[s][1-iz] = 1.0;
-    z[s][iz]   = 1.0/( 1.0 - b*(mass[s]-mass[0]));
-    bs[s]      = b*z[s][iz]; 
-  }
-  
-  // r += b[0] A.p[0]
-  // c= norm(r)
-  c=axpy_norm(r,b,mmp,r);
-  
- axpby(psi,0.,-bs[0],src_f,src_f);
-  for(int s=0;s<nshift;s++) {
-    axpby(sol_f[s],0.,-bs[s]*alpha[s],src_f,src_f);
-  }
-  
-  
-  // Iteration loop
-  int k;
- // inefficient zeroing, please replace!
-//  RealD sol_norm = axpy_norm(sol_d[0],-1.,sol_d[0],sol_d[0]);
-  zeroit(sol_d[0]);
-  std::cout<<GridLogMessage<<"norm(sol_d[0])= "<<norm2(sol_d[0])<<std::endl;
-  
-
-  int all_converged = 1;
-	RealD tmp1,tmp2;
-  for (k=1;k<=MaxOuterIterations;k++){
-    
-    a = c /cp;
-    axpy(p,a,p,r);
-    
-    // Note to self - direction ps is iterated seperately
-    // for each shift. Does not appear to have any scope
-    // for avoiding linear algebra in "single" case.
-    // 
-    // However SAME r is used. Could load "r" and update
-    // ALL ps[s]. 2/3 Bandwidth saving
-    // New Kernel: Load r, vector of coeffs, vector of pointers ps
-    for(int s=0;s<nshift;s++){
-      if ( ! converged[s] ) { 
-	if (s==0){
-	  axpy(ps[s],a,ps[s],r);
-	} else{
-	  RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
-	  axpby(ps[s],z[s][iz],as,r,ps[s]);
-	}
-      }
-    }
-    
-    cp=c;
-    
-    Linop_f.HermOpAndNorm(p,mmp,d,qq);
-    axpy(mmp,mass[0],p,mmp);
-    RealD rn = norm2(p);
-    d += rn*mass[0];
-    
-    bp=b;
-    b=-cp/d;
-    
-    c=axpy_norm(r,b,mmp,r);
-
-
-    // Toggle the recurrence history
-    bs[0] = b;
-    iz = 1-iz;
-    for(int s=1;s<nshift;s++){
-      if((!converged[s])){
-	RealD z0 = z[s][1-iz];
-	RealD z1 = z[s][iz];
-	z[s][iz] = z0*z1*bp
-	  / (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b)); 
-	bs[s] = b*z[s][iz]/z0; // NB sign  rel to Mike
-      }
-    }
-    
-    axpy(psi,-bs[0],ps[0],psi);
-    for(int s=0;s<nshift;s++){
-      int ss = s;
-      // Scope for optimisation here in case of "single".
-      // Could load sol_f[0] and pull all ps[s] in.
-      //      if ( single ) ss=primary;
-      // Bandwith saving in single case is Ls * 3 -> 2+Ls, so ~ 3x saving
-      // Pipelined CG gain:
-      //
-      // New Kernel: Load r, vector of coeffs, vector of pointers ps
-      // New Kernel: Load sol_f[0], vector of coeffs, vector of pointers ps
-      // If can predict the coefficient bs then we can fuse these and avoid write reread cyce
-      //  on ps[s].
-      // Before:  3 x npole  + 3 x npole
-      // After :  2 x npole (ps[s])        => 3x speed up of multishift CG.
-      
-      if( (!converged[s]) ) { 
-	axpy(sol_f[ss],-bs[s]*alpha[s],ps[s],sol_f[ss]);
-      }
-    }
-
-
-    if (k%MaxInnerIterations==0){
-//    if (c < 1e-4*c_relup){
-       RealD c_f=c;
-       precisionChange(tmp_d,psi);
-       RealD sol_norm =axpy_norm (psi_d,1.,tmp_d,psi_d);
-       tmp1 = norm2(psi);
-       zeroit(psi);
-       tmp2 = norm2(psi);
-       std::cout<<GridLogMessage<<"k= "<<k<<" norm2(sol)= "<<sol_norm<<" "<<tmp1<<" "<<tmp2<<std::endl;
-//       precisionChange(sol_d[0],sol_f[0]);
-       Linop_d.HermOpAndNorm(psi_d,tmp_d,tmp1,tmp2);
-       axpy(tmp2_d,mass[0],psi_d,tmp_d);
-       axpy(tmp_d,-1.,tmp2_d,src_d);
-       precisionChange(r,tmp_d);
-	c_relup = norm2(r);
-       std::cout<<GridLogMessage<<"k= "<<k<<" norm2(r)= "<<c<<" "<<c_relup<<" "<<c_f<<std::endl;
-	if_relup=1;
-    }
-    
-    // Convergence checks
-  all_converged=1;
-    for(int s=0;s<nshift;s++){
-      
-      if ( (!converged[s]) ){
-	
-	RealD css  = c * z[s][iz]* z[s][iz];
-	
-	if(css<rsq[s]){
-	  if ( ! converged[s] )
-	    std::cout<<GridLogMessage<<"ConjugateGradientMultiShift k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
-	      converged[s]=1;
-	} else {
-		if (k%MaxInnerIterations==0)
-	    std::cout<<GridLogMessage<<"ConjugateGradientMultiShift k="<<k<<" Shift "<<s<<" has not converged "<<css<<"<"<<rsq[s]<<std::endl;
-	  all_converged=0;
-	}
-
-      }
-    }
-    
-#if 0
-    if ( all_converged ){
-      std::cout<<GridLogMessage<< "CGMultiShift: All shifts have converged iteration "<<k<<std::endl;
-#else
-    if ( converged[0] ){
-      std::cout<<GridLogMessage<< "CGMultiShift: Shift 0 have converged iteration, terminating  "<<k<<std::endl;
-#endif
-      
-#if 1
-      for(int s=1; s < nshift; s++) { 
-	Linop_f.HermOpAndNorm(sol_f[s],mmp,d,qq);
-	axpy(tmp,mass[s],sol_f[s],mmp);
-	axpy(r,-alpha[s],src_f,tmp);
-	RealD rn = norm2(r);
-	RealD cn = norm2(src_f);
-	std::cout<<GridLogMessage<<"CGMultiShift: shift["<<s<<"] true residual "<<std::sqrt(rn/cn)<<std::endl;
-      }
-#endif
-     iter = k;
-      break;
-    }
-  }
-  // ugly hack
-  if ( !all_converged )
-  std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
-//  assert(0);
-}
-	
-#endif
-	InnerCGtimer.Stop();
-      
-	//Convert sol back to double and add to double prec solution
-	PrecChangeTimer.Start();
-	sol_d[0]=psi_d;
-	for(int i=1;i<nshift;i++)precisionChange(sol_d[i], sol_f[i]);
-      std::cout<<GridLogMessage<< "CGMultiShift: Checking solutions"<<std::endl;
-      // Check answers 
-      for(int s=0; s < nshift; s++) { 
-	RealD tmp1,tmp2;
-       Linop_d.HermOpAndNorm(sol_d[s],tmp_d,tmp1,tmp2);
-       axpy(tmp2_d,shifts.poles[s],sol_d[s],tmp_d);
-       axpy(tmp_d,-1.,src_d,tmp2_d);
-	std::cout<<GridLogMessage<<"CGMultiShift: shift["<<s<<"] true residual "<<std::sqrt(norm2(tmp_d)/norm2(src_d))<<std::endl;
-      }
-	PrecChangeTimer.Stop();
-      
-}
-    
-      //Final trial CG
- //     std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Starting final patch-up double-precision solve"<<std::endl;
-    
-      TotalTimer.Stop();
-      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Total " << TotalTimer.Elapsed() << " Precision change " << PrecChangeTimer.Elapsed() << " Inner CG total " << InnerCGtimer.Elapsed() << std::endl;
-    }
-  };
-
-}
-
-#endif

lib/algorithms/iterative/ConjugateGradientReliableUpdate.h

@@ -0,0 +1,256 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ConjugateGradientReliableUpdate.h
+
+    Copyright (C) 2015
+
+Author: Christopher Kelly <ckelly@phys.columbia.edu>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef GRID_CONJUGATE_GRADIENT_RELIABLE_UPDATE_H
+#define GRID_CONJUGATE_GRADIENT_RELIABLE_UPDATE_H
+
+namespace Grid {
+
+  template<class FieldD,class FieldF, typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
+  class ConjugateGradientReliableUpdate : public LinearFunction<FieldD> {
+  public:
+    bool ErrorOnNoConverge;  // throw an assert when the CG fails to converge.
+    // Defaults true.
+    RealD Tolerance;
+    Integer MaxIterations;
+    Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+    Integer ReliableUpdatesPerformed;
+
+    bool DoFinalCleanup; //Final DP cleanup, defaults to true
+    Integer IterationsToCleanup; //Final DP cleanup step iterations
+    
+    LinearOperatorBase<FieldF> &Linop_f;
+    LinearOperatorBase<FieldD> &Linop_d;
+    GridBase* SinglePrecGrid;
+    RealD Delta; //reliable update parameter
+
+    //Optional ability to switch to a different linear operator once the tolerance reaches a certain point. Useful for single/half -> single/single
+    LinearOperatorBase<FieldF> *Linop_fallback;
+    RealD fallback_transition_tol;
+
+    
+    ConjugateGradientReliableUpdate(RealD tol, Integer maxit, RealD _delta, GridBase* _sp_grid, LinearOperatorBase<FieldF> &_Linop_f, LinearOperatorBase<FieldD> &_Linop_d, bool err_on_no_conv = true)
+      : Tolerance(tol),
+        MaxIterations(maxit),
+	Delta(_delta),
+	Linop_f(_Linop_f),
+	Linop_d(_Linop_d),
+	SinglePrecGrid(_sp_grid),
+        ErrorOnNoConverge(err_on_no_conv),
+	DoFinalCleanup(true),
+	Linop_fallback(NULL)
+    {};
+
+    void setFallbackLinop(LinearOperatorBase<FieldF> &_Linop_fallback, const RealD _fallback_transition_tol){
+      Linop_fallback = &_Linop_fallback;
+      fallback_transition_tol = _fallback_transition_tol;      
+    }
+    
+    void operator()(const FieldD &src, FieldD &psi) {
+      LinearOperatorBase<FieldF> *Linop_f_use = &Linop_f;
+      bool using_fallback = false;
+      
+      psi.checkerboard = src.checkerboard;
+      conformable(psi, src);
+
+      RealD cp, c, a, d, b, ssq, qq, b_pred;
+
+      FieldD p(src);
+      FieldD mmp(src);
+      FieldD r(src);
+
+      // Initial residual computation & set up
+      RealD guess = norm2(psi);
+      assert(std::isnan(guess) == 0);
+    
+      Linop_d.HermOpAndNorm(psi, mmp, d, b);
+    
+      r = src - mmp;
+      p = r;
+
+      a = norm2(p);
+      cp = a;
+      ssq = norm2(src);
+
+      std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate: guess " << guess << std::endl;
+      std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate:   src " << ssq << std::endl;
+      std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate:    mp " << d << std::endl;
+      std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate:   mmp " << b << std::endl;
+      std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate:  cp,r " << cp << std::endl;
+      std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate:     p " << a << std::endl;
+
+      RealD rsq = Tolerance * Tolerance * ssq;
+
+      // Check if guess is really REALLY good :)
+      if (cp <= rsq) {
+	std::cout << GridLogMessage << "ConjugateGradientReliableUpdate guess was REALLY good\n";
+	std::cout << GridLogMessage << "\tComputed residual " << sqrt(cp / ssq)<<std::endl;
+	return;
+      }
+
+      //Single prec initialization
+      FieldF r_f(SinglePrecGrid);
+      r_f.checkerboard = r.checkerboard;
+      precisionChange(r_f, r);
+
+      FieldF psi_f(r_f);
+      psi_f = zero;
+
+      FieldF p_f(r_f);
+      FieldF mmp_f(r_f);
+
+      RealD MaxResidSinceLastRelUp = cp; //initial residual    
+    
+      std::cout << GridLogIterative << std::setprecision(4)
+		<< "ConjugateGradient: k=0 residual " << cp << " target " << rsq << std::endl;
+
+      GridStopWatch LinalgTimer;
+      GridStopWatch MatrixTimer;
+      GridStopWatch SolverTimer;
+
+      SolverTimer.Start();
+      int k = 0;
+      int l = 0;
+    
+      for (k = 1; k <= MaxIterations; k++) {
+	c = cp;
+
+	MatrixTimer.Start();
+	Linop_f_use->HermOpAndNorm(p_f, mmp_f, d, qq);
+	MatrixTimer.Stop();
+
+	LinalgTimer.Start();
+
+	a = c / d;
+	b_pred = a * (a * qq - d) / c;
+
+	cp = axpy_norm(r_f, -a, mmp_f, r_f);
+	b = cp / c;
+
+	// Fuse these loops ; should be really easy
+	psi_f = a * p_f + psi_f;
+	//p_f = p_f * b + r_f;
+
+	LinalgTimer.Stop();
+
+	std::cout << GridLogIterative << "ConjugateGradientReliableUpdate: Iteration " << k
+		  << " residual " << cp << " target " << rsq << std::endl;
+	std::cout << GridLogDebug << "a = "<< a << " b_pred = "<< b_pred << "  b = "<< b << std::endl;
+	std::cout << GridLogDebug << "qq = "<< qq << " d = "<< d << "  c = "<< c << std::endl;
+
+	if(cp > MaxResidSinceLastRelUp){
+	  std::cout << GridLogIterative << "ConjugateGradientReliableUpdate: updating MaxResidSinceLastRelUp : " << MaxResidSinceLastRelUp << " -> " << cp << std::endl;
+	  MaxResidSinceLastRelUp = cp;
+	}
+	  
+	// Stopping condition
+	if (cp <= rsq) {
+	  //Although not written in the paper, I assume that I have to add on the final solution
+	  precisionChange(mmp, psi_f);
+	  psi = psi + mmp;
+	
+	
+	  SolverTimer.Stop();
+	  Linop_d.HermOpAndNorm(psi, mmp, d, qq);
+	  p = mmp - src;
+
+	  RealD srcnorm = sqrt(norm2(src));
+	  RealD resnorm = sqrt(norm2(p));
+	  RealD true_residual = resnorm / srcnorm;
+
+	  std::cout << GridLogMessage << "ConjugateGradientReliableUpdate Converged on iteration " << k << " after " << l << " reliable updates" << std::endl;
+	  std::cout << GridLogMessage << "\tComputed residual " << sqrt(cp / ssq)<<std::endl;
+	  std::cout << GridLogMessage << "\tTrue residual " << true_residual<<std::endl;
+	  std::cout << GridLogMessage << "\tTarget " << Tolerance << std::endl;
+
+	  std::cout << GridLogMessage << "Time breakdown "<<std::endl;
+	  std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed() <<std::endl;
+	  std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed() <<std::endl;
+	  std::cout << GridLogMessage << "\tLinalg     " << LinalgTimer.Elapsed() <<std::endl;
+
+	  IterationsToComplete = k;	
+	  ReliableUpdatesPerformed = l;
+	  
+	  if(DoFinalCleanup){
+	    //Do a final CG to cleanup
+	    std::cout << GridLogMessage << "ConjugateGradientReliableUpdate performing final cleanup.\n";
+	    ConjugateGradient<FieldD> CG(Tolerance,MaxIterations);
+	    CG.ErrorOnNoConverge = ErrorOnNoConverge;
+	    CG(Linop_d,src,psi);
+	    IterationsToCleanup = CG.IterationsToComplete;
+	  }
+	  else if (ErrorOnNoConverge) assert(true_residual / Tolerance < 10000.0);
+
+	  std::cout << GridLogMessage << "ConjugateGradientReliableUpdate complete.\n";
+	  return;
+	}
+	else if(cp < Delta * MaxResidSinceLastRelUp) { //reliable update
+	  std::cout << GridLogMessage << "ConjugateGradientReliableUpdate "
+		    << cp << "(residual) < " << Delta << "(Delta) * " << MaxResidSinceLastRelUp << "(MaxResidSinceLastRelUp) on iteration " << k << " : performing reliable update\n";
+	  precisionChange(mmp, psi_f);
+	  psi = psi + mmp;
+
+	  Linop_d.HermOpAndNorm(psi, mmp, d, qq);
+	  r = src - mmp;
+
+	  psi_f = zero;
+	  precisionChange(r_f, r);
+	  cp = norm2(r);
+	  MaxResidSinceLastRelUp = cp;
+
+	  b = cp/c;
+	  
+	  std::cout << GridLogMessage << "ConjugateGradientReliableUpdate new residual " << cp << std::endl;
+	  
+	  l = l+1;
+	}
+
+	p_f = p_f * b + r_f; //update search vector after reliable update appears to help convergence
+
+	if(!using_fallback && Linop_fallback != NULL && cp < fallback_transition_tol){
+	  std::cout << GridLogMessage << "ConjugateGradientReliableUpdate switching to fallback linear operator on iteration " << k << " at residual " << cp << std::endl;
+	  Linop_f_use = Linop_fallback;
+	  using_fallback = true;
+	}
+
+	
+      }
+      std::cout << GridLogMessage << "ConjugateGradientReliableUpdate did NOT converge"
+		<< std::endl;
+      
+      if (ErrorOnNoConverge) assert(0);
+      IterationsToComplete = k;
+      ReliableUpdatesPerformed = l;      
+    }    
+  };
+
+
+};
+
+
+
+#endif

lib/algorithms/iterative/ConjugateGradientShifted.h

@@ -1,168 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/algorithms/iterative/ConjugateGradient.h
-
-    Copyright (C) 2015
-
-Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END LEGAL */
-#ifndef GRID_CONJUGATE_GRADIENT_SHIFTED_H
-#define GRID_CONJUGATE_GRADIENT_SHIFTED_H
-
-namespace Grid {
-
-    /////////////////////////////////////////////////////////////
-    // Base classes for iterative processes based on operators
-    // single input vec, single output vec.
-    /////////////////////////////////////////////////////////////
-
-  template<class Field> 
-    class ConjugateGradientShifted : public OperatorFunction<Field> {
-public:                                                
-    bool ErrorOnNoConverge; //throw an assert when the CG fails to converge. Defaults true.
-    RealD   Tolerance;
-    Integer MaxIterations;
-    ConjugateGradientShifted(RealD tol,Integer maxit, bool err_on_no_conv = true) : Tolerance(tol), MaxIterations(maxit), ErrorOnNoConverge(err_on_no_conv) { 
-    };
-
-    void operator() (LinearOperatorBase<Field> &Linop,const Field &src, Field &psi ){
-	(*this)(Linop,src,psi,NULL);
-    }
-
-    void operator() (LinearOperatorBase<Field> &Linop,const Field &src, Field &psi, RealD *shift){
-
-      psi.checkerboard = src.checkerboard;
-      conformable(psi,src);
-
-      RealD cp,c,a,d,b,ssq,qq,b_pred;
-      
-      Field   p(src);
-      Field mmp(src);
-      Field   r(src);
-      
-      //Initial residual computation & set up
-      RealD guess = norm2(psi);
-      assert(std::isnan(guess)==0);
-
-      Linop.HermOpAndNorm(psi,mmp,d,b);
-	if(shift) axpy(mmp,*shift,psi,mmp);
-	RealD rn = norm2(psi);
-	if(shift) d += rn*(*shift);
-	RealD d2 = real(innerProduct(psi,mmp));
-	b= norm2(mmp);
-      RealD src_norm=norm2(src);
-      r= src-mmp;
-      p= r;
-      
-      a  =norm2(p);
-      cp =a;
-      ssq=norm2(src);
-
-      std::cout<<GridLogIterative <<std::setprecision(4)<< "ConjugateGradient: guess "<<guess<<std::endl;
-      std::cout<<GridLogIterative <<std::setprecision(4)<< "ConjugateGradient:   src "<<ssq  <<std::endl;
-      std::cout<<GridLogIterative <<std::setprecision(4)<< "ConjugateGradient:    mp "<<d    <<std::endl;
-      std::cout<<GridLogIterative <<std::setprecision(4)<< "ConjugateGradient:   mmp "<<b    <<std::endl;
-      std::cout<<GridLogIterative <<std::setprecision(4)<< "ConjugateGradient:  cp,r "<<cp   <<std::endl;
-      std::cout<<GridLogIterative <<std::setprecision(4)<< "ConjugateGradient:     p "<<a    <<std::endl;
-
-      RealD rsq =  Tolerance* Tolerance*ssq;
-      
-      //Check if guess is really REALLY good :)
-      if ( cp <= rsq ) {
-	return;
-      }
-      
-      std::cout<<GridLogIterative << std::setprecision(4)<< "ConjugateGradient: k=0 residual "<<cp<<" target "<<rsq<<std::endl;
-
-      GridStopWatch LinalgTimer;
-      GridStopWatch MatrixTimer;
-      GridStopWatch SolverTimer;
-
-      SolverTimer.Start();
-      int k;
-      for (k=1;k<=MaxIterations;k++){
-	
-	c=cp;
-
-	MatrixTimer.Start();
-	Linop.HermOpAndNorm(p,mmp,d,qq);
-	MatrixTimer.Stop();
-	LinalgTimer.Start();
-	if(shift) axpy(mmp,*shift,p,mmp);
-	RealD rn = norm2(p);
-	if(shift) d += rn*(*shift);
-	RealD d2 = real(innerProduct(p,mmp));
-	qq = norm2(mmp);
-      if (k%10==1) std::cout<< std::setprecision(4)<< "d:  "<<d<<" d2= "<<d2<<std::endl;
-
-	//	RealD    qqck = norm2(mmp);
-	//	ComplexD dck  = innerProduct(p,mmp);
-      
-	a      = c/d;
-	b_pred = a*(a*qq-d)/c;
-
-	cp = axpy_norm(r,-a,mmp,r);
-	b = cp/c;
-      if (k%10==1) std::cout<< std::setprecision(4)<<"k= "<<k<<" src:  "<<src_norm<<" r= "<<cp<<std::endl;
-	
-	// Fuse these loops ; should be really easy
-	psi= a*p+psi;
-	p  = p*b+r;
-	  
-	LinalgTimer.Stop();
-	std::cout<<GridLogIterative<<"ConjugateGradient: Iteration " <<k<<" residual "<<cp<< " target "<< rsq<<std::endl;
-	
-	// Stopping condition
-	if ( cp <= rsq ) { 
-	  
-	  SolverTimer.Stop();
-	  Linop.HermOpAndNorm(psi,mmp,d,qq);
-	  if(shift) mmp = mmp + (*shift) * psi;
-	  p=mmp-src;
-	  
-	  RealD mmpnorm = sqrt(norm2(mmp));
-	  RealD psinorm = sqrt(norm2(psi));
-	  RealD srcnorm = sqrt(norm2(src));
-	  RealD resnorm = sqrt(norm2(p));
-	  RealD true_residual = resnorm/srcnorm;
-
-	  std::cout<<GridLogMessage<<"ConjugateGradient: Converged on iteration " <<k
-		   <<" computed residual "<<sqrt(cp/ssq)
-		   <<" true residual "    <<true_residual
-		   <<" target "<<Tolerance<<std::endl;
-	  std::cout<<GridLogMessage<<"Time elapsed: Total "<< SolverTimer.Elapsed() << " Matrix  "<<MatrixTimer.Elapsed() << " Linalg "<<LinalgTimer.Elapsed();
-	  std::cout<<std::endl;
-	  
-	if(ErrorOnNoConverge)
-	  assert(true_residual/Tolerance < 1000.0);
-
-	  return;
-	}
-      }
-      std::cout<<GridLogMessage<<"ConjugateGradient did NOT converge"<<std::endl;
-//      assert(0);
-    }
-  };
-}
-#endif

lib/algorithms/iterative/DenseMatrix.h

@@ -1,137 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/algorithms/iterative/DenseMatrix.h
-
-    Copyright (C) 2015
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END LEGAL */
-#ifndef GRID_DENSE_MATRIX_H
-#define GRID_DENSE_MATRIX_H
-
-namespace Grid {
-    /////////////////////////////////////////////////////////////
-    // Matrix untils
-    /////////////////////////////////////////////////////////////
-
-template<class T> using DenseVector = std::vector<T>;
-template<class T> using DenseMatrix = DenseVector<DenseVector<T> >;
-
-template<class T> void Size(DenseVector<T> & vec, int &N) 
-{ 
-  N= vec.size();
-}
-template<class T> void Size(DenseMatrix<T> & mat, int &N,int &M) 
-{ 
-  N= mat.size();
-  M= mat[0].size();
-}
-
-template<class T> void SizeSquare(DenseMatrix<T> & mat, int &N) 
-{ 
-  int M; Size(mat,N,M);
-  assert(N==M);
-}
-
-template<class T> void Resize(DenseVector<T > & mat, int N) { 
-  mat.resize(N);
-}
-template<class T> void Resize(DenseMatrix<T > & mat, int N, int M) { 
-  mat.resize(N);
-  for(int i=0;i<N;i++){
-    mat[i].resize(M);
-  }
-}
-template<class T> void Fill(DenseMatrix<T> & mat, T&val) { 
-  int N,M;
-  Size(mat,N,M);
-  for(int i=0;i<N;i++){
-  for(int j=0;j<M;j++){
-    mat[i][j] = val;
-  }}
-}
-
-/** Transpose of a matrix **/
-template<class T> DenseMatrix<T> Transpose(DenseMatrix<T> & mat){
-  int N,M;
-  Size(mat,N,M);
-  DenseMatrix<T> C; Resize(C,M,N);
-  for(int i=0;i<M;i++){
-  for(int j=0;j<N;j++){
-    C[i][j] = mat[j][i];
-  }} 
-  return C;
-}
-/** Set DenseMatrix to unit matrix **/
-template<class T> void Unity(DenseMatrix<T> &A){
-  int N;  SizeSquare(A,N);
-  for(int i=0;i<N;i++){
-    for(int j=0;j<N;j++){
-      if ( i==j ) A[i][j] = 1;
-      else        A[i][j] = 0;
-    } 
-  } 
-}
-
-/** Add C * I to matrix **/
-template<class T>
-void PlusUnit(DenseMatrix<T> & A,T c){
-  int dim;  SizeSquare(A,dim);
-  for(int i=0;i<dim;i++){A[i][i] = A[i][i] + c;} 
-}
-
-/** return the Hermitian conjugate of matrix **/
-template<class T>
-DenseMatrix<T> HermitianConj(DenseMatrix<T> &mat){
-
-  int dim; SizeSquare(mat,dim);
-
-  DenseMatrix<T> C; Resize(C,dim,dim);
-
-  for(int i=0;i<dim;i++){
-    for(int j=0;j<dim;j++){
-      C[i][j] = conj(mat[j][i]);
-    } 
-  } 
-  return C;
-}
-/**Get a square submatrix**/
-template <class T>
-DenseMatrix<T> GetSubMtx(DenseMatrix<T> &A,int row_st, int row_end, int col_st, int col_end)
-{
-  DenseMatrix<T> H; Resize(H,row_end - row_st,col_end-col_st);
-
-  for(int i = row_st; i<row_end; i++){
-  for(int j = col_st; j<col_end; j++){
-    H[i-row_st][j-col_st]=A[i][j];
-  }}
-  return H;
-}
-
-}
-
-#include "Householder.h"
-#include "Francis.h"
-
-#endif
-

lib/algorithms/iterative/EigenSort.h

@@ -1,81 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/algorithms/iterative/EigenSort.h
-
-    Copyright (C) 2015
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END LEGAL */
-#ifndef GRID_EIGENSORT_H
-#define GRID_EIGENSORT_H
-
-
-namespace Grid {
-    /////////////////////////////////////////////////////////////
-    // Eigen sorter to begin with
-    /////////////////////////////////////////////////////////////
-
-template<class Field>
-class SortEigen {
- private:
-  
-//hacking for testing for now
- private:
-  static bool less_lmd(RealD left,RealD right){
-    return left > right;
-  }  
-  static bool less_pair(std::pair<RealD,Field const*>& left,
-                        std::pair<RealD,Field const*>& right){
-    return left.first > (right.first);
-  }  
-  
-  
- public:
-
-  void push(DenseVector<RealD>& lmd,
-            DenseVector<Field>& evec,int N) {
-    DenseVector<Field> cpy(lmd.size(),evec[0]._grid);
-    for(int i=0;i<lmd.size();i++) cpy[i] = evec[i];
-    
-    DenseVector<std::pair<RealD, Field const*> > emod(lmd.size());    
-    for(int i=0;i<lmd.size();++i)
-      emod[i] = std::pair<RealD,Field const*>(lmd[i],&cpy[i]);
-
-    partial_sort(emod.begin(),emod.begin()+N,emod.end(),less_pair);
-
-    typename DenseVector<std::pair<RealD, Field const*> >::iterator it = emod.begin();
-    for(int i=0;i<N;++i){
-      lmd[i]=it->first;
-      evec[i]=*(it->second);
-      ++it;
-    }
-  }
-  void push(DenseVector<RealD>& lmd,int N) {
-    std::partial_sort(lmd.begin(),lmd.begin()+N,lmd.end(),less_lmd);
-  }
-  bool saturated(RealD lmd, RealD thrs) {
-    return fabs(lmd) > fabs(thrs);
-  }
-};
-
-}
-#endif

lib/algorithms/iterative/Francis.h

@@ -1,525 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/algorithms/iterative/Francis.h
-
-    Copyright (C) 2015
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END LEGAL */
-#ifndef FRANCIS_H
-#define FRANCIS_H
-
-#include <cstdlib>
-#include <string>
-#include <cmath>
-#include <iostream>
-#include <sstream>
-#include <stdexcept>
-#include <fstream>
-#include <complex>
-#include <algorithm>
-
-//#include <timer.h>
-//#include <lapacke.h>
-//#include <Eigen/Dense>
-
-namespace Grid {
-
-template <class T> int SymmEigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small);
-template <class T> int     Eigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small);
-
-/**
-  Find the eigenvalues of an upper hessenberg matrix using the Francis QR algorithm.
-H =
-      x  x  x  x  x  x  x  x  x
-      x  x  x  x  x  x  x  x  x
-      0  x  x  x  x  x  x  x  x
-      0  0  x  x  x  x  x  x  x
-      0  0  0  x  x  x  x  x  x
-      0  0  0  0  x  x  x  x  x
-      0  0  0  0  0  x  x  x  x
-      0  0  0  0  0  0  x  x  x
-      0  0  0  0  0  0  0  x  x
-Factorization is P T P^H where T is upper triangular (mod cc blocks) and P is orthagonal/unitary.
-**/
-template <class T>
-int QReigensystem(DenseMatrix<T> &Hin, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small)
-{
-  DenseMatrix<T> H = Hin; 
-
-  int N ; SizeSquare(H,N);
-  int M = N;
-
-  Fill(evals,0);
-  Fill(evecs,0);
-
-  T s,t,x=0,y=0,z=0;
-  T u,d;
-  T apd,amd,bc;
-  DenseVector<T> p(N,0);
-  T nrm = Norm(H);    ///DenseMatrix Norm
-  int n, m;
-  int e = 0;
-  int it = 0;
-  int tot_it = 0;
-  int l = 0;
-  int r = 0;
-  DenseMatrix<T> P; Resize(P,N,N); Unity(P);
-  DenseVector<int> trows(N,0);
-
-  /// Check if the matrix is really hessenberg, if not abort
-  RealD sth = 0;
-  for(int j=0;j<N;j++){
-    for(int i=j+2;i<N;i++){
-      sth = abs(H[i][j]);
-      if(sth > small){
-	std::cout << "Non hessenberg H = " << sth << " > " << small << std::endl;
-	exit(1);
-      }
-    }
-  }
-
-  do{
-    std::cout << "Francis QR Step N = " << N << std::endl;
-    /** Check for convergence
-      x  x  x  x  x
-      0  x  x  x  x
-      0  0  x  x  x
-      0  0  x  x  x
-      0  0  0  0  x
-      for this matrix l = 4
-     **/
-    do{
-      l = Chop_subdiag(H,nrm,e,small);
-      r = 0;    ///May have converged on more than one eval
-      ///Single eval
-      if(l == N-1){
-        evals[e] = H[l][l];
-        N--; e++; r++; it = 0;
-      }
-      ///RealD eval
-      if(l == N-2){
-        trows[l+1] = 1;    ///Needed for UTSolve
-        apd = H[l][l] + H[l+1][l+1];
-        amd = H[l][l] - H[l+1][l+1];
-        bc =  (T)4.0*H[l+1][l]*H[l][l+1];
-        evals[e]   = (T)0.5*( apd + sqrt(amd*amd + bc) );
-        evals[e+1] = (T)0.5*( apd - sqrt(amd*amd + bc) );
-        N-=2; e+=2; r++; it = 0;
-      }
-    } while(r>0);
-
-    if(N ==0) break;
-
-    DenseVector<T > ck; Resize(ck,3);
-    DenseVector<T> v;   Resize(v,3);
-
-    for(int m = N-3; m >= l; m--){
-      ///Starting vector essentially random shift.
-      if(it%10 == 0 && N >= 3 && it > 0){
-        s = (T)1.618033989*( abs( H[N-1][N-2] ) + abs( H[N-2][N-3] ) );
-        t = (T)0.618033989*( abs( H[N-1][N-2] ) + abs( H[N-2][N-3] ) );
-        x = H[m][m]*H[m][m] + H[m][m+1]*H[m+1][m] - s*H[m][m] + t;
-        y = H[m+1][m]*(H[m][m] + H[m+1][m+1] - s);
-        z = H[m+1][m]*H[m+2][m+1];
-      }
-      ///Starting vector implicit Q theorem
-      else{
-        s = (H[N-2][N-2] + H[N-1][N-1]);
-        t = (H[N-2][N-2]*H[N-1][N-1] - H[N-2][N-1]*H[N-1][N-2]);
-        x = H[m][m]*H[m][m] + H[m][m+1]*H[m+1][m] - s*H[m][m] + t;
-        y = H[m+1][m]*(H[m][m] + H[m+1][m+1] - s);
-        z = H[m+1][m]*H[m+2][m+1];
-      }
-      ck[0] = x; ck[1] = y; ck[2] = z;
-
-      if(m == l) break;
-
-      /** Some stupid thing from numerical recipies, seems to work**/
-      // PAB.. for heaven's sake quote page, purpose, evidence it works.
-      //       what sort of comment is that!?!?!?
-      u=abs(H[m][m-1])*(abs(y)+abs(z));
-      d=abs(x)*(abs(H[m-1][m-1])+abs(H[m][m])+abs(H[m+1][m+1]));
-      if ((T)abs(u+d) == (T)abs(d) ){
-	l = m; break;
-      }
-
-      //if (u < small){l = m; break;}
-    }
-    if(it > 100000){
-     std::cout << "QReigensystem: bugger it got stuck after 100000 iterations" << std::endl;
-     std::cout << "got " << e << " evals " << l << " " << N << std::endl;
-      exit(1);
-    }
-    normalize(ck);    ///Normalization cancels in PHP anyway
-    T beta;
-    Householder_vector<T >(ck, 0, 2, v, beta);
-    Householder_mult<T >(H,v,beta,0,l,l+2,0);
-    Householder_mult<T >(H,v,beta,0,l,l+2,1);
-    ///Accumulate eigenvector
-    Householder_mult<T >(P,v,beta,0,l,l+2,1);
-    int sw = 0;      ///Are we on the last row?
-    for(int k=l;k<N-2;k++){
-      x = H[k+1][k];
-      y = H[k+2][k];
-      z = (T)0.0;
-      if(k+3 <= N-1){
-	z = H[k+3][k];
-      } else{
-	sw = 1; 
-	v[2] = (T)0.0;
-      }
-      ck[0] = x; ck[1] = y; ck[2] = z;
-      normalize(ck);
-      Householder_vector<T >(ck, 0, 2-sw, v, beta);
-      Householder_mult<T >(H,v, beta,0,k+1,k+3-sw,0);
-      Householder_mult<T >(H,v, beta,0,k+1,k+3-sw,1);
-      ///Accumulate eigenvector
-      Householder_mult<T >(P,v, beta,0,k+1,k+3-sw,1);
-    }
-    it++;
-    tot_it++;
-  }while(N > 1);
-  N = evals.size();
-  ///Annoying - UT solves in reverse order;
-  DenseVector<T> tmp; Resize(tmp,N);
-  for(int i=0;i<N;i++){
-    tmp[i] = evals[N-i-1];
-  } 
-  evals = tmp;
-  UTeigenvectors(H, trows, evals, evecs);
-  for(int i=0;i<evals.size();i++){evecs[i] = P*evecs[i]; normalize(evecs[i]);}
-  return tot_it;
-}
-
-template <class T>
-int my_Wilkinson(DenseMatrix<T> &Hin, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small)
-{
-  /**
-  Find the eigenvalues of an upper Hessenberg matrix using the Wilkinson QR algorithm.
-  H =
-  x  x  0  0  0  0
-  x  x  x  0  0  0
-  0  x  x  x  0  0
-  0  0  x  x  x  0
-  0  0  0  x  x  x
-  0  0  0  0  x  x
-  Factorization is P T P^H where T is upper triangular (mod cc blocks) and P is orthagonal/unitary.  **/
-  return my_Wilkinson(Hin, evals, evecs, small, small);
-}
-
-template <class T>
-int my_Wilkinson(DenseMatrix<T> &Hin, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small, RealD tol)
-{
-  int N; SizeSquare(Hin,N);
-  int M = N;
-
-  ///I don't want to modify the input but matricies must be passed by reference
-  //Scale a matrix by its "norm"
-  //RealD Hnorm = abs( Hin.LargestDiag() ); H =  H*(1.0/Hnorm);
-  DenseMatrix<T> H;  H = Hin;
-  
-  RealD Hnorm = abs(Norm(Hin));
-  H = H * (1.0 / Hnorm);
-
-  // TODO use openmp and memset
-  Fill(evals,0);
-  Fill(evecs,0);
-
-  T s, t, x = 0, y = 0, z = 0;
-  T u, d;
-  T apd, amd, bc;
-  DenseVector<T> p; Resize(p,N); Fill(p,0);
-
-  T nrm = Norm(H);    ///DenseMatrix Norm
-  int n, m;
-  int e = 0;
-  int it = 0;
-  int tot_it = 0;
-  int l = 0;
-  int r = 0;
-  DenseMatrix<T> P; Resize(P,N,N);
-  Unity(P);
-  DenseVector<int> trows(N, 0);
-  /// Check if the matrix is really symm tridiag
-  RealD sth = 0;
-  for(int j = 0; j < N; ++j)
-  {
-    for(int i = j + 2; i < N; ++i)
-    {
-      if(abs(H[i][j]) > tol || abs(H[j][i]) > tol)
-      {
-	std::cout << "Non Tridiagonal H(" << i << ","<< j << ") = |" << Real( real( H[j][i] ) ) << "| > " << tol << std::endl;
-	std::cout << "Warning tridiagonalize and call again" << std::endl;
-        // exit(1); // see what is going on
-        //return;
-      }
-    }
-  }
-
-  do{
-    do{
-      //Jasper
-      //Check if the subdiagonal term is small enough (<small)
-      //if true then it is converged.
-      //check start from H.dim - e - 1
-      //How to deal with more than 2 are converged?
-      //What if Chop_symm_subdiag return something int the middle?
-      //--------------
-      l = Chop_symm_subdiag(H,nrm, e, small);
-      r = 0;    ///May have converged on more than one eval
-      //Jasper
-      //In this case
-      // x  x  0  0  0  0
-      // x  x  x  0  0  0
-      // 0  x  x  x  0  0
-      // 0  0  x  x  x  0
-      // 0  0  0  x  x  0
-      // 0  0  0  0  0  x  <- l
-      //--------------
-      ///Single eval
-      if(l == N - 1)
-      {
-        evals[e] = H[l][l];
-        N--;
-        e++;
-        r++;
-        it = 0;
-      }
-      //Jasper
-      // x  x  0  0  0  0
-      // x  x  x  0  0  0
-      // 0  x  x  x  0  0
-      // 0  0  x  x  0  0
-      // 0  0  0  0  x  x  <- l
-      // 0  0  0  0  x  x
-      //--------------
-      ///RealD eval
-      if(l == N - 2)
-      {
-        trows[l + 1] = 1;    ///Needed for UTSolve
-        apd = H[l][l] + H[l + 1][ l + 1];
-        amd = H[l][l] - H[l + 1][l + 1];
-        bc =  (T) 4.0 * H[l + 1][l] * H[l][l + 1];
-        evals[e] = (T) 0.5 * (apd + sqrt(amd * amd + bc));
-        evals[e + 1] = (T) 0.5 * (apd - sqrt(amd * amd + bc));
-        N -= 2;
-        e += 2;
-        r++;
-        it = 0;
-      }
-    }while(r > 0);
-    //Jasper
-    //Already converged
-    //--------------
-    if(N == 0) break;
-
-    DenseVector<T> ck,v; Resize(ck,2); Resize(v,2);
-
-    for(int m = N - 3; m >= l; m--)
-    {
-      ///Starting vector essentially random shift.
-      if(it%10 == 0 && N >= 3 && it > 0)
-      {
-        t = abs(H[N - 1][N - 2]) + abs(H[N - 2][N - 3]);
-        x = H[m][m] - t;
-        z = H[m + 1][m];
-      } else {
-      ///Starting vector implicit Q theorem
-        d = (H[N - 2][N - 2] - H[N - 1][N - 1]) * (T) 0.5;
-        t =  H[N - 1][N - 1] - H[N - 1][N - 2] * H[N - 1][N - 2] 
-	  / (d + sign(d) * sqrt(d * d + H[N - 1][N - 2] * H[N - 1][N - 2]));
-        x = H[m][m] - t;
-        z = H[m + 1][m];
-      }
-      //Jasper
-      //why it is here????
-      //-----------------------
-      if(m == l)
-        break;
-
-      u = abs(H[m][m - 1]) * (abs(y) + abs(z));
-      d = abs(x) * (abs(H[m - 1][m - 1]) + abs(H[m][m]) + abs(H[m + 1][m + 1]));
-      if ((T)abs(u + d) == (T)abs(d))
-      {
-        l = m;
-        break;
-      }
-    }
-    //Jasper
-    if(it > 1000000)
-    {
-      std::cout << "Wilkinson: bugger it got stuck after 100000 iterations" << std::endl;
-      std::cout << "got " << e << " evals " << l << " " << N << std::endl;
-      exit(1);
-    }
-    //
-    T s, c;
-    Givens_calc<T>(x, z, c, s);
-    Givens_mult<T>(H, l, l + 1, c, -s, 0);
-    Givens_mult<T>(H, l, l + 1, c,  s, 1);
-    Givens_mult<T>(P, l, l + 1, c,  s, 1);
-    //
-    for(int k = l; k < N - 2; ++k)
-    {
-      x = H.A[k + 1][k];
-      z = H.A[k + 2][k];
-      Givens_calc<T>(x, z, c, s);
-      Givens_mult<T>(H, k + 1, k + 2, c, -s, 0);
-      Givens_mult<T>(H, k + 1, k + 2, c,  s, 1);
-      Givens_mult<T>(P, k + 1, k + 2, c,  s, 1);
-    }
-    it++;
-    tot_it++;
-  }while(N > 1);
-
-  N = evals.size();
-  ///Annoying - UT solves in reverse order;
-  DenseVector<T> tmp(N);
-  for(int i = 0; i < N; ++i)
-    tmp[i] = evals[N-i-1];
-  evals = tmp;
-  //
-  UTeigenvectors(H, trows, evals, evecs);
-  //UTSymmEigenvectors(H, trows, evals, evecs);
-  for(int i = 0; i < evals.size(); ++i)
-  {
-    evecs[i] = P * evecs[i];
-    normalize(evecs[i]);
-    evals[i] = evals[i] * Hnorm;
-  }
-  // // FIXME this is to test
-  // Hin.write("evecs3", evecs);
-  // Hin.write("evals3", evals);
-  // // check rsd
-  // for(int i = 0; i < M; i++) {
-  //   vector<T> Aevec = Hin * evecs[i];
-  //   RealD norm2(0.);
-  //   for(int j = 0; j < M; j++) {
-  //     norm2 += (Aevec[j] - evals[i] * evecs[i][j]) * (Aevec[j] - evals[i] * evecs[i][j]);
-  //   }
-  // }
-  return tot_it;
-}
-
-template <class T>
-void Hess(DenseMatrix<T > &A, DenseMatrix<T> &Q, int start){
-
-  /**
-  turn a matrix A =
-  x  x  x  x  x
-  x  x  x  x  x
-  x  x  x  x  x
-  x  x  x  x  x
-  x  x  x  x  x
-  into
-  x  x  x  x  x
-  x  x  x  x  x
-  0  x  x  x  x
-  0  0  x  x  x
-  0  0  0  x  x
-  with householder rotations
-  Slow.
-  */
-  int N ; SizeSquare(A,N);
-  DenseVector<T > p; Resize(p,N); Fill(p,0);
-
-  for(int k=start;k<N-2;k++){
-    //cerr << "hess" << k << std::endl;
-    DenseVector<T > ck,v; Resize(ck,N-k-1); Resize(v,N-k-1);
-    for(int i=k+1;i<N;i++){ck[i-k-1] = A(i,k);}  ///kth column
-    normalize(ck);    ///Normalization cancels in PHP anyway
-    T beta;
-    Householder_vector<T >(ck, 0, ck.size()-1, v, beta);  ///Householder vector
-    Householder_mult<T>(A,v,beta,start,k+1,N-1,0);  ///A -> PA
-    Householder_mult<T >(A,v,beta,start,k+1,N-1,1);  ///PA -> PAP^H
-    ///Accumulate eigenvector
-    Householder_mult<T >(Q,v,beta,start,k+1,N-1,1);  ///Q -> QP^H
-  }
-  /*for(int l=0;l<N-2;l++){
-    for(int k=l+2;k<N;k++){
-    A(0,k,l);
-    }
-    }*/
-}
-
-template <class T>
-void Tri(DenseMatrix<T > &A, DenseMatrix<T> &Q, int start){
-///Tridiagonalize a matrix
-  int N; SizeSquare(A,N);
-  Hess(A,Q,start);
-  /*for(int l=0;l<N-2;l++){
-    for(int k=l+2;k<N;k++){
-    A(0,l,k);
-    }
-    }*/
-}
-
-template <class T>
-void ForceTridiagonal(DenseMatrix<T> &A){
-///Tridiagonalize a matrix
-  int N ; SizeSquare(A,N);
-  for(int l=0;l<N-2;l++){
-    for(int k=l+2;k<N;k++){
-      A[l][k]=0;
-      A[k][l]=0;
-    }
-  }
-}
-
-template <class T>
-int my_SymmEigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
-  ///Solve a symmetric eigensystem, not necessarily in tridiagonal form
-  int N; SizeSquare(Ain,N);
-  DenseMatrix<T > A; A = Ain;
-  DenseMatrix<T > Q; Resize(Q,N,N); Unity(Q);
-  Tri(A,Q,0);
-  int it = my_Wilkinson<T>(A, evals, evecs, small);
-  for(int k=0;k<N;k++){evecs[k] = Q*evecs[k];}
-  return it;
-}
-
-
-template <class T>
-int Wilkinson(DenseMatrix<T> &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
-  return my_Wilkinson(Ain, evals, evecs, small);
-}
-
-template <class T>
-int SymmEigensystem(DenseMatrix<T> &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
-  return my_SymmEigensystem(Ain, evals, evecs, small);
-}
-
-template <class T>
-int Eigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
-///Solve a general eigensystem, not necessarily in tridiagonal form
-  int N = Ain.dim;
-  DenseMatrix<T > A(N); A = Ain;
-  DenseMatrix<T > Q(N);Q.Unity();
-  Hess(A,Q,0);
-  int it = QReigensystem<T>(A, evals, evecs, small);
-  for(int k=0;k<N;k++){evecs[k] = Q*evecs[k];}
-  return it;
-}
-
-}
-#endif

lib/algorithms/iterative/Householder.h

@@ -1,242 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/algorithms/iterative/Householder.h
-
-    Copyright (C) 2015
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END LEGAL */
-#ifndef HOUSEHOLDER_H
-#define HOUSEHOLDER_H
-
-#define TIMER(A) std::cout << GridLogMessage << __FUNC__ << " file "<< __FILE__ <<" line " << __LINE__ << std::endl;
-#define ENTER()  std::cout << GridLogMessage << "ENTRY "<<__FUNC__ << " file "<< __FILE__ <<" line " << __LINE__ << std::endl;
-#define LEAVE()  std::cout << GridLogMessage << "EXIT  "<<__FUNC__ << " file "<< __FILE__ <<" line " << __LINE__ << std::endl;
-
-#include <cstdlib>
-#include <string>
-#include <cmath>
-#include <iostream>
-#include <sstream>
-#include <stdexcept>
-#include <fstream>
-#include <complex>
-#include <algorithm>
-
-namespace Grid {
-/** Comparison function for finding the max element in a vector **/
-template <class T> bool cf(T i, T j) { 
-  return abs(i) < abs(j); 
-}
-
-/** 
-	Calculate a real Givens angle 
- **/
-template <class T> inline void Givens_calc(T y, T z, T &c, T &s){
-
-  RealD mz = (RealD)abs(z);
-  
-  if(mz==0.0){
-    c = 1; s = 0;
-  }
-  if(mz >= (RealD)abs(y)){
-    T t = -y/z;
-    s = (T)1.0 / sqrt ((T)1.0 + t * t);
-    c = s * t;
-  } else {
-    T t = -z/y;
-    c = (T)1.0 / sqrt ((T)1.0 + t * t);
-    s = c * t;
-  }
-}
-
-template <class T> inline void Givens_mult(DenseMatrix<T> &A,  int i, int k, T c, T s, int dir)
-{
-  int q ; SizeSquare(A,q);
-
-  if(dir == 0){
-    for(int j=0;j<q;j++){
-      T nu = A[i][j];
-      T w  = A[k][j];
-      A[i][j] = (c*nu + s*w);
-      A[k][j] = (-s*nu + c*w);
-    }
-  }
-
-  if(dir == 1){
-    for(int j=0;j<q;j++){
-      T nu = A[j][i];
-      T w  = A[j][k];
-      A[j][i] = (c*nu - s*w);
-      A[j][k] = (s*nu + c*w);
-    }
-  }
-}
-
-/**
-	from input = x;
-	Compute the complex Householder vector, v, such that
-	P = (I - b v transpose(v) )
-	b = 2/v.v
-
-	P | x |    | x | k = 0
-	| x |    | 0 | 
-	| x | =  | 0 |
-	| x |    | 0 | j = 3
-	| x |	   | x |
-
-	These are the "Unreduced" Householder vectors.
-
- **/
-template <class T> inline void Householder_vector(DenseVector<T> input, int k, int j, DenseVector<T> &v, T &beta)
-{
-  int N ; Size(input,N);
-  T m = *max_element(input.begin() + k, input.begin() + j + 1, cf<T> );
-
-  if(abs(m) > 0.0){
-    T alpha = 0;
-
-    for(int i=k; i<j+1; i++){
-      v[i] = input[i]/m;
-      alpha = alpha + v[i]*conj(v[i]);
-    }
-    alpha = sqrt(alpha);
-    beta = (T)1.0/(alpha*(alpha + abs(v[k]) ));
-
-    if(abs(v[k]) > 0.0)  v[k] = v[k] + (v[k]/abs(v[k]))*alpha;
-    else                 v[k] = -alpha;
-  } else{
-    for(int i=k; i<j+1; i++){
-      v[i] = 0.0;
-    } 
-  }
-}
-
-/**
-	from input = x;
-	Compute the complex Householder vector, v, such that
-	P = (I - b v transpose(v) )
-	b = 2/v.v
-
-	Px = alpha*e_dir
-
-	These are the "Unreduced" Householder vectors.
-
- **/
-
-template <class T> inline void Householder_vector(DenseVector<T> input, int k, int j, int dir, DenseVector<T> &v, T &beta)
-{
-  int N = input.size();
-  T m = *max_element(input.begin() + k, input.begin() + j + 1, cf);
-  
-  if(abs(m) > 0.0){
-    T alpha = 0;
-
-    for(int i=k; i<j+1; i++){
-      v[i] = input[i]/m;
-      alpha = alpha + v[i]*conj(v[i]);
-    }
-    
-    alpha = sqrt(alpha);
-    beta = 1.0/(alpha*(alpha + abs(v[dir]) ));
-	
-    if(abs(v[dir]) > 0.0) v[dir] = v[dir] + (v[dir]/abs(v[dir]))*alpha;
-    else                  v[dir] = -alpha;
-  }else{
-    for(int i=k; i<j+1; i++){
-      v[i] = 0.0;
-    } 
-  }
-}
-
-/**
-	Compute the product PA if trans = 0
-	AP if trans = 1
-	P = (I - b v transpose(v) )
-	b = 2/v.v
-	start at element l of matrix A
-	v is of length j - k + 1 of v are nonzero
- **/
-
-template <class T> inline void Householder_mult(DenseMatrix<T> &A , DenseVector<T> v, T beta, int l, int k, int j, int trans)
-{
-  int N ; SizeSquare(A,N);
-
-  if(abs(beta) > 0.0){
-    for(int p=l; p<N; p++){
-      T s = 0;
-      if(trans==0){
-	for(int i=k;i<j+1;i++) s += conj(v[i-k])*A[i][p];
-	s *= beta;
-	for(int i=k;i<j+1;i++){ A[i][p] = A[i][p]-s*conj(v[i-k]);}
-      } else {
-	for(int i=k;i<j+1;i++){ s += conj(v[i-k])*A[p][i];}
-	s *= beta;
-	for(int i=k;i<j+1;i++){ A[p][i]=A[p][i]-s*conj(v[i-k]);}
-      }
-    }
-  }
-}
-
-/**
-	Compute the product PA if trans = 0
-	AP if trans = 1
-	P = (I - b v transpose(v) )
-	b = 2/v.v
-	start at element l of matrix A
-	v is of length j - k + 1 of v are nonzero
-	A is tridiagonal
- **/
-template <class T> inline void Householder_mult_tri(DenseMatrix<T> &A , DenseVector<T> v, T beta, int l, int M, int k, int j, int trans)
-{
-  if(abs(beta) > 0.0){
-
-    int N ; SizeSquare(A,N);
-
-    DenseMatrix<T> tmp; Resize(tmp,N,N); Fill(tmp,0); 
-
-    T s;
-    for(int p=l; p<M; p++){
-      s = 0;
-      if(trans==0){
-	for(int i=k;i<j+1;i++) s = s + conj(v[i-k])*A[i][p];
-      }else{
-	for(int i=k;i<j+1;i++) s = s + v[i-k]*A[p][i];
-      }
-      s = beta*s;
-      if(trans==0){
-	for(int i=k;i<j+1;i++) tmp[i][p] = tmp(i,p) - s*v[i-k];
-      }else{
-	for(int i=k;i<j+1;i++) tmp[p][i] = tmp[p][i] - s*conj(v[i-k]);
-      }
-    }
-    for(int p=l; p<M; p++){
-      if(trans==0){
-	for(int i=k;i<j+1;i++) A[i][p] = A[i][p] + tmp[i][p];
-      }else{
-	for(int i=k;i<j+1;i++) A[p][i] = A[p][i] + tmp[p][i];
-      }
-    }
-  }
-}
-}
-#endif

lib/algorithms/iterative/LocalCoherenceLanczos.h

@@ -0,0 +1,352 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/LocalCoherenceLanczos.h
+
+    Copyright (C) 2015
+
+Author: Christoph Lehner <clehner@bnl.gov>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef GRID_LOCAL_COHERENCE_IRL_H
+#define GRID_LOCAL_COHERENCE_IRL_H
+namespace Grid { 
+struct LanczosParams : Serializable {
+ public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParams,
+				  ChebyParams, Cheby,/*Chebyshev*/
+				  int, Nstop,    /*Vecs in Lanczos must converge Nstop < Nk < Nm*/
+				  int, Nk,       /*Vecs in Lanczos seek converge*/
+				  int, Nm,       /*Total vecs in Lanczos include restart*/
+				  RealD, resid,  /*residual*/
+ 				  int, MaxIt, 
+				  RealD, betastp,  /* ? */
+				  int, MinRes);    // Must restart
+};
+
+struct LocalCoherenceLanczosParams : Serializable {
+ public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LocalCoherenceLanczosParams,
+				  bool, doFine,
+				  bool, doFineRead,
+				  bool, doCoarse,
+	       			  bool, doCoarseRead,
+				  LanczosParams, FineParams,
+				  LanczosParams, CoarseParams,
+				  ChebyParams,   Smoother,
+				  RealD        , coarse_relax_tol,
+				  std::vector<int>, blockSize,
+				  std::string, config,
+				  std::vector < std::complex<double>  >, omega,
+				  RealD, mass,
+				  RealD, M5);
+};
+
+// Duplicate functionality; ProjectedFunctionHermOp could be used with the trivial function
+template<class Fobj,class CComplex,int nbasis>
+class ProjectedHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
+public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<Fobj>          FineField;
+
+  LinearOperatorBase<FineField> &_Linop;
+  Aggregation<Fobj,CComplex,nbasis> &_Aggregate;
+
+  ProjectedHermOp(LinearOperatorBase<FineField>& linop,  Aggregation<Fobj,CComplex,nbasis> &aggregate) : 
+    _Linop(linop),
+    _Aggregate(aggregate)  {  };
+
+  void operator()(const CoarseField& in, CoarseField& out) {
+
+    GridBase *FineGrid = _Aggregate.FineGrid;
+    FineField fin(FineGrid);
+    FineField fout(FineGrid);
+
+    _Aggregate.PromoteFromSubspace(in,fin);    std::cout<<GridLogIRL<<"ProjectedHermop : Promote to fine"<<std::endl;
+    _Linop.HermOp(fin,fout);                   std::cout<<GridLogIRL<<"ProjectedHermop : HermOp (fine) "<<std::endl;
+    _Aggregate.ProjectToSubspace(out,fout);    std::cout<<GridLogIRL<<"ProjectedHermop : Project to coarse "<<std::endl;
+  }
+};
+
+template<class Fobj,class CComplex,int nbasis>
+class ProjectedFunctionHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
+public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<Fobj>          FineField;
+
+
+  OperatorFunction<FineField>   & _poly;
+  LinearOperatorBase<FineField> &_Linop;
+  Aggregation<Fobj,CComplex,nbasis> &_Aggregate;
+
+  ProjectedFunctionHermOp(OperatorFunction<FineField> & poly,LinearOperatorBase<FineField>& linop, 
+			  Aggregation<Fobj,CComplex,nbasis> &aggregate) : 
+    _poly(poly),
+    _Linop(linop),
+    _Aggregate(aggregate)  {  };
+
+  void operator()(const CoarseField& in, CoarseField& out) {
+
+    GridBase *FineGrid = _Aggregate.FineGrid;
+
+    FineField fin(FineGrid) ;fin.checkerboard  =_Aggregate.checkerboard;
+    FineField fout(FineGrid);fout.checkerboard =_Aggregate.checkerboard;
+    
+    _Aggregate.PromoteFromSubspace(in,fin);    std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Promote to fine"<<std::endl;
+    _poly(_Linop,fin,fout);                    std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Poly "<<std::endl;
+    _Aggregate.ProjectToSubspace(out,fout);    std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Project to coarse "<<std::endl;
+  }
+};
+
+template<class Fobj,class CComplex,int nbasis>
+class ImplicitlyRestartedLanczosSmoothedTester  : public ImplicitlyRestartedLanczosTester<Lattice<iVector<CComplex,nbasis > > >
+{
+ public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<Fobj>          FineField;
+
+  LinearFunction<CoarseField> & _Poly;
+  OperatorFunction<FineField>   & _smoother;
+  LinearOperatorBase<FineField> &_Linop;
+  Aggregation<Fobj,CComplex,nbasis> &_Aggregate;
+  RealD                             _coarse_relax_tol;
+  ImplicitlyRestartedLanczosSmoothedTester(LinearFunction<CoarseField>   &Poly,
+					   OperatorFunction<FineField>   &smoother,
+					   LinearOperatorBase<FineField> &Linop,
+					   Aggregation<Fobj,CComplex,nbasis> &Aggregate,
+					   RealD coarse_relax_tol=5.0e3) 
+    : _smoother(smoother), _Linop(Linop),_Aggregate(Aggregate), _Poly(Poly), _coarse_relax_tol(coarse_relax_tol)  {    };
+
+  int TestConvergence(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
+  {
+    CoarseField v(B);
+    RealD eval_poly = eval;
+    // Apply operator
+    _Poly(B,v);
+
+    RealD vnum = real(innerProduct(B,v)); // HermOp.
+    RealD vden = norm2(B);
+    RealD vv0  = norm2(v);
+    eval   = vnum/vden;
+    v -= eval*B;
+
+    RealD vv = norm2(v) / ::pow(evalMaxApprox,2.0);
+
+    std::cout.precision(13);
+    std::cout<<GridLogIRL  << "[" << std::setw(3)<<j<<"] "
+	     <<"eval = "<<std::setw(25)<< eval << " (" << eval_poly << ")"
+	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv
+	     <<std::endl;
+
+    int conv=0;
+    if( (vv<eresid*eresid) ) conv = 1;
+    return conv;
+  }
+  int ReconstructEval(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
+  {
+    GridBase *FineGrid = _Aggregate.FineGrid;
+
+    int checkerboard   = _Aggregate.checkerboard;
+
+    FineField fB(FineGrid);fB.checkerboard =checkerboard;
+    FineField fv(FineGrid);fv.checkerboard =checkerboard;
+
+    _Aggregate.PromoteFromSubspace(B,fv);
+    _smoother(_Linop,fv,fB); 
+
+    RealD eval_poly = eval;
+    _Linop.HermOp(fB,fv);
+
+    RealD vnum = real(innerProduct(fB,fv)); // HermOp.
+    RealD vden = norm2(fB);
+    RealD vv0  = norm2(fv);
+    eval   = vnum/vden;
+    fv -= eval*fB;
+    RealD vv = norm2(fv) / ::pow(evalMaxApprox,2.0);
+
+    std::cout.precision(13);
+    std::cout<<GridLogIRL  << "[" << std::setw(3)<<j<<"] "
+	     <<"eval = "<<std::setw(25)<< eval << " (" << eval_poly << ")"
+	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv
+	     <<std::endl;
+    if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
+    if( (vv<eresid*eresid) ) return 1;
+    return 0;
+  }
+};
+
+////////////////////////////////////////////
+// Make serializable Lanczos params
+////////////////////////////////////////////
+template<class Fobj,class CComplex,int nbasis>
+class LocalCoherenceLanczos 
+{
+public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CComplex>                   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<Fobj>                       FineField;
+
+protected:
+  GridBase *_CoarseGrid;
+  GridBase *_FineGrid;
+  int _checkerboard;
+  LinearOperatorBase<FineField>                 & _FineOp;
+  
+  // FIXME replace Aggregation with vector of fine; the code reuse is too small for
+  // the hassle and complexity of cross coupling.
+  Aggregation<Fobj,CComplex,nbasis>               _Aggregate;  
+  std::vector<RealD>                              evals_fine;
+  std::vector<RealD>                              evals_coarse; 
+  std::vector<CoarseField>                        evec_coarse;
+public:
+  LocalCoherenceLanczos(GridBase *FineGrid,
+		GridBase *CoarseGrid,
+		LinearOperatorBase<FineField> &FineOp,
+		int checkerboard) :
+    _CoarseGrid(CoarseGrid),
+    _FineGrid(FineGrid),
+    _Aggregate(CoarseGrid,FineGrid,checkerboard),
+    _FineOp(FineOp),
+    _checkerboard(checkerboard)
+  {
+    evals_fine.resize(0);
+    evals_coarse.resize(0);
+  };
+  void Orthogonalise(void ) { _Aggregate.Orthogonalise(); }
+
+  template<typename T>  static RealD normalise(T& v) 
+  {
+    RealD nn = norm2(v);
+    nn = ::sqrt(nn);
+    v = v * (1.0/nn);
+    return nn;
+  }
+
+  void fakeFine(void)
+  {
+    int Nk = nbasis;
+    _Aggregate.subspace.resize(Nk,_FineGrid);
+    _Aggregate.subspace[0]=1.0;
+    _Aggregate.subspace[0].checkerboard=_checkerboard;
+    normalise(_Aggregate.subspace[0]);
+    PlainHermOp<FineField>    Op(_FineOp);
+    for(int k=1;k<Nk;k++){
+      _Aggregate.subspace[k].checkerboard=_checkerboard;
+      Op(_Aggregate.subspace[k-1],_Aggregate.subspace[k]);
+      normalise(_Aggregate.subspace[k]);
+    }
+  }
+
+  void testFine(RealD resid) 
+  {
+    assert(evals_fine.size() == nbasis);
+    assert(_Aggregate.subspace.size() == nbasis);
+    PlainHermOp<FineField>    Op(_FineOp);
+    ImplicitlyRestartedLanczosHermOpTester<FineField> SimpleTester(Op);
+    for(int k=0;k<nbasis;k++){
+      assert(SimpleTester.ReconstructEval(k,resid,_Aggregate.subspace[k],evals_fine[k],1.0)==1);
+    }
+  }
+
+  void testCoarse(RealD resid,ChebyParams cheby_smooth,RealD relax) 
+  {
+    assert(evals_fine.size() == nbasis);
+    assert(_Aggregate.subspace.size() == nbasis);
+    //////////////////////////////////////////////////////////////////////////////////////////////////
+    // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
+    //////////////////////////////////////////////////////////////////////////////////////////////////
+    Chebyshev<FineField>                          ChebySmooth(cheby_smooth);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (ChebySmooth,_FineOp,_Aggregate);
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,_Aggregate,relax);
+
+    for(int k=0;k<evec_coarse.size();k++){
+      if ( k < nbasis ) { 
+	assert(ChebySmoothTester.ReconstructEval(k,resid,evec_coarse[k],evals_coarse[k],1.0)==1);
+      } else { 
+	assert(ChebySmoothTester.ReconstructEval(k,resid*relax,evec_coarse[k],evals_coarse[k],1.0)==1);
+      }
+    }
+  }
+
+  void calcFine(ChebyParams cheby_parms,int Nstop,int Nk,int Nm,RealD resid, 
+		RealD MaxIt, RealD betastp, int MinRes)
+  {
+    assert(nbasis<=Nm);
+    Chebyshev<FineField>      Cheby(cheby_parms);
+    FunctionHermOp<FineField> ChebyOp(Cheby,_FineOp);
+    PlainHermOp<FineField>    Op(_FineOp);
+
+    evals_fine.resize(Nm);
+    _Aggregate.subspace.resize(Nm,_FineGrid);
+
+    ImplicitlyRestartedLanczos<FineField> IRL(ChebyOp,Op,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
+
+    FineField src(_FineGrid); src=1.0; src.checkerboard = _checkerboard;
+
+    int Nconv;
+    IRL.calc(evals_fine,_Aggregate.subspace,src,Nconv,false);
+    
+    // Shrink down to number saved
+    assert(Nstop>=nbasis);
+    assert(Nconv>=nbasis);
+    evals_fine.resize(nbasis);
+    _Aggregate.subspace.resize(nbasis,_FineGrid);
+  }
+  void calcCoarse(ChebyParams cheby_op,ChebyParams cheby_smooth,RealD relax,
+		  int Nstop, int Nk, int Nm,RealD resid, 
+		  RealD MaxIt, RealD betastp, int MinRes)
+  {
+    Chebyshev<FineField>                          Cheby(cheby_op);
+    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,_Aggregate);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,_Aggregate);
+    //////////////////////////////////////////////////////////////////////////////////////////////////
+    // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
+    //////////////////////////////////////////////////////////////////////////////////////////////////
+
+    Chebyshev<FineField>                                           ChebySmooth(cheby_smooth);
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,_Aggregate,relax);
+
+    evals_coarse.resize(Nm);
+    evec_coarse.resize(Nm,_CoarseGrid);
+
+    CoarseField src(_CoarseGrid);     src=1.0; 
+
+    ImplicitlyRestartedLanczos<CoarseField> IRL(ChebyOp,ChebyOp,ChebySmoothTester,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
+    int Nconv=0;
+    IRL.calc(evals_coarse,evec_coarse,src,Nconv,false);
+    assert(Nconv>=Nstop);
+    evals_coarse.resize(Nstop);
+    evec_coarse.resize (Nstop,_CoarseGrid);
+    for (int i=0;i<Nstop;i++){
+      std::cout << i << " Coarse eval = " << evals_coarse[i]  << std::endl;
+    }
+  }
+};
+
+}
+#endif