Reorganise a little to let the PV inverter be defined outside

the Reconstruct class.

This lets the multiple choices for PV inversion be composed without
changing the routine and no if/else case enumeration.

Implemented SchurDiagMooee PV inversion (red black) and Unprec PV inversion.
Red black cuts from 190 iterations to 90 iterations at 10^-12 on 8^4 test system

Will revisit multiple Schur options and add a Fourier based multishift PV inverse, similar
to the one Rudy Arthur did in BFM

.gitignore

@@ -9,6 +9,7 @@
 ################
 *~
 *#
+*.sublime-*
 
 # Precompiled Headers #
 #######################
@@ -47,7 +48,9 @@ Config.h.in
 config.log
 config.status
 .deps
-*.inc
+Make.inc
+eigen.inc
+Eigen.inc
 
 # http://www.gnu.org/software/autoconf #
 ########################################
@@ -80,6 +83,7 @@ ltmain.sh
 .Trashes
 ehthumbs.db
 Thumbs.db
+.dirstamp
 
 # build directory #
 ###################
@@ -89,16 +93,24 @@ build*/*
 #####################
 *.xcodeproj/*
 build.sh
+.vscode
+*.code-workspace
 
 # Eigen source #
 ################
-lib/Eigen/*
-
-# FFTW source #
-################
-lib/fftw/*
+Grid/Eigen
+Eigen/*
 
 # libtool macros #
 ##################
 m4/lt*
-m4/libtool.m4
+m4/libtool.m4
+
+# github pages #
+################
+gh-pages/
+
+# generated sources #
+#####################
+Grid/qcd/spin/gamma-gen/*.h
+Grid/qcd/spin/gamma-gen/*.cc

.travis.yml

@@ -7,64 +7,13 @@ 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
+      env: PREC=single
+    - os:        osx
+      osx_image: xcode8.3
+      compiler: clang
+      env: PREC=double
       
 before_install:
     - export GRIDDIR=`pwd`
@@ -72,35 +21,41 @@ before_install:
     - if [[ "$TRAVIS_OS_NAME" == "linux" ]] && [[ "$CC" == "clang" ]]; then export PATH="${GRIDDIR}/clang/bin:${PATH}"; fi
     - 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" ]] && [[ "$CC" == "gcc" ]]; then brew install gcc5; fi
+    - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew install libmpc openssl; fi
     
 install:
+    - export CWD=`pwd`
+    - echo $CWD
     - export CC=$CC$VERSION
     - export CXX=$CXX$VERSION
     - echo $PATH
+    - which autoconf
+    - autoconf  --version
+    - which automake
+    - automake  --version
     - which $CC
     - $CC  --version
     - which $CXX
     - $CXX --version
     - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then export LDFLAGS='-L/usr/local/lib'; fi
+    - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then export EXTRACONF='--with-openssl=/usr/local/opt/openssl'; fi
     
 script:
     - ./bootstrap.sh
     - mkdir build
     - cd build
-    - ../configure --enable-precision=single --enable-simd=SSE4 --enable-comms=none
+    - mkdir lime
+    - cd lime
+    - mkdir build
+    - cd build
+    - wget http://usqcd-software.github.io/downloads/c-lime/lime-1.3.2.tar.gz
+    - tar xf lime-1.3.2.tar.gz
+    - cd lime-1.3.2
+    - ./configure --prefix=$CWD/build/lime/install
+    - make -j4
+    - make install
+    - cd $CWD/build
+    - ../configure --enable-precision=$PREC --enable-simd=SSE4 --enable-comms=none --with-lime=$CWD/build/lime/install ${EXTRACONF}
     - make -j4 
-    - ./benchmarks/Benchmark_dwf --threads 1
-    - echo make clean
-    - ../configure --enable-precision=double --enable-simd=SSE4 --enable-comms=none
-    - make -j4
-    - ./benchmarks/Benchmark_dwf --threads 1
-    - echo make clean
-    - if [[ "$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

Grid/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

Grid/Grid.h

@@ -2,12 +2,13 @@
 
     Grid physics library, www.github.com/paboyle/Grid 
 
-    Source file: ./lib/stencil/Stencil_common.cc
+    Source file: ./lib/Grid.h
 
     Copyright (C) 2015
 
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
+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
@@ -26,9 +27,23 @@ Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#include "Grid.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_H
+#define GRID_H
 
+#include <Grid/GridCore.h>
+#include <Grid/GridQCDcore.h>
+#include <Grid/qcd/action/Action.h>
+#include <Grid/qcd/utils/GaugeFix.h>
+#include <Grid/qcd/smearing/Smearing.h>
+#include <Grid/parallelIO/MetaData.h>
+#include <Grid/qcd/hmc/HMC_aggregate.h>
 
+#endif

Grid/GridCore.h

@@ -35,55 +35,27 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 //  Copyright (c) 2014 University of Edinburgh. All rights reserved.
 //
 
-#ifndef GRID_H
-#define GRID_H
+#ifndef GRID_BASE_H
+#define GRID_BASE_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>
+#include <Grid/GridStd.h>
 
-///////////////////
-// Grid headers
-///////////////////
+#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 "Config.h"
-#include <Grid/Timer.h>
-#include <Grid/PerfCount.h>
-#include <Grid/Log.h>
-#include <Grid/AlignedAllocator.h>
-#include <Grid/Simd.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/threads/Threads.h>
+#include <Grid/util/Util.h>
+#include <Grid/util/Sha.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/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/algorithms/Algorithms.h>   
 
 #endif

Grid/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.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

Grid/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 */

Grid/Grid_Eigen_Dense.h

@@ -0,0 +1,14 @@
+#pragma once
+// Force Eigen to use MKL if Grid has been configured with --enable-mkl
+#ifdef USE_MKL
+#define EIGEN_USE_MKL_ALL
+#endif
+
+#if defined __GNUC__
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wdeprecated-declarations"
+#endif
+#include <Grid/Eigen/Dense>
+#if defined __GNUC__
+#pragma GCC diagnostic pop
+#endif

Grid/Makefile.am

@@ -0,0 +1,63 @@
+extra_sources=
+extra_headers=
+
+if BUILD_COMMS_MPI3
+  extra_sources+=communicator/Communicator_mpi3.cc
+  extra_sources+=communicator/Communicator_base.cc
+  extra_sources+=communicator/SharedMemoryMPI.cc
+  extra_sources+=communicator/SharedMemory.cc
+endif
+
+if BUILD_COMMS_NONE
+  extra_sources+=communicator/Communicator_none.cc
+  extra_sources+=communicator/Communicator_base.cc
+  extra_sources+=communicator/SharedMemoryNone.cc
+  extra_sources+=communicator/SharedMemory.cc
+endif
+
+if BUILD_HDF5
+  extra_sources+=serialisation/Hdf5IO.cc 
+  extra_headers+=serialisation/Hdf5IO.h
+  extra_headers+=serialisation/Hdf5Type.h
+endif
+
+all: version-cache
+
+version-cache:
+	@if [ `git status --porcelain | grep -v '??' | wc -l` -gt 0 ]; then\
+		a="uncommited changes";\
+	else\
+		a="clean";\
+	fi;\
+	echo "`git log -n 1 --format=format:"#define GITHASH \\"%H:%d $$a\\"%n" HEAD`" > vertmp;\
+	if [ -e version-cache ]; then\
+		d=`diff vertmp version-cache`;\
+		if [ "$${d}" != "" ]; then\
+			mv vertmp version-cache;\
+			rm -f Version.h;\
+		fi;\
+	else\
+		mv vertmp version-cache;\
+		rm -f Version.h;\
+	fi;\
+	rm -f vertmp
+
+Version.h:
+	cp version-cache Version.h
+
+.PHONY: version-cache
+
+#
+# Libraries
+#
+include Make.inc
+include Eigen.inc
+
+lib_LIBRARIES = libGrid.a
+
+CCFILES += $(extra_sources)
+HFILES  += $(extra_headers) Config.h Version.h
+
+libGrid_a_SOURCES              = $(CCFILES)
+libGrid_adir                   = $(includedir)/Grid
+nobase_dist_pkginclude_HEADERS = $(HFILES) $(eigen_files) $(eigen_unsupp_files)

Grid/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
 
@@ -37,38 +37,26 @@ 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/Deflation.h>
 #include <Grid/algorithms/iterative/ConjugateGradient.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

Grid/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);

Grid/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
         {
@@ -240,11 +241,15 @@ 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);
           }
         }
-        result = Cshift(result,dim,L);
+        if (p != processors[dim] - 1)
+        {
+          result = Cshift(result,dim,L);
+        }
       }
       
       // Loop over orthog coords
@@ -275,7 +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);
@@ -287,10 +291,10 @@ namespace Grid {
           cgbuf = clbuf;
           cgbuf[dim] = clbuf[dim]+L*pc;
           peekLocalSite(s,pgbuf,cgbuf);
-          s = s * div;
           pokeLocalSite(s,result,clbuf);
         }
       }
+      result = result*div;
       
       // destroying plan
       FFTW<scalar>::fftw_destroy_plan(p);

Grid/algorithms/LinearOperator.h

@@ -51,7 +51,7 @@ namespace Grid {
 
       virtual void Op     (const Field &in, Field &out) = 0; // Abstract base
       virtual void AdjOp  (const Field &in, Field &out) = 0; // Abstract base
-      virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2)=0;
+      virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2) = 0;
       virtual void HermOp(const Field &in, Field &out)=0;
     };
 
@@ -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);
@@ -188,14 +183,16 @@ namespace Grid {
       virtual  RealD Mpc      (const Field &in, Field &out) =0;
       virtual  RealD MpcDag   (const Field &in, Field &out) =0;
       virtual void MpcDagMpc(const Field &in, Field &out,RealD &ni,RealD &no) {
-	Field tmp(in._grid);
+      Field tmp(in._grid);
+      tmp.checkerboard = in.checkerboard;
 	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){
+      out.checkerboard = in.checkerboard;
 	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 +209,6 @@ 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> {
@@ -221,13 +217,15 @@ namespace Grid {
     public:
       SchurDiagMooeeOperator (Matrix &Mat): _Mat(Mat){};
       virtual  RealD Mpc      (const Field &in, Field &out) {
-	Field tmp(in._grid);
-//	std::cout <<"grid pointers: in._grid="<< in._grid << " out._grid=" << out._grid << "  _Mat.Grid=" << _Mat.Grid() << " _Mat.RedBlackGrid=" << _Mat.RedBlackGrid() << std::endl;
+      Field tmp(in._grid);
+      tmp.checkerboard = !in.checkerboard;
+	//std::cout <<"grid pointers: in._grid="<< in._grid << " out._grid=" << out._grid << "  _Mat.Grid=" << _Mat.Grid() << " _Mat.RedBlackGrid=" << _Mat.RedBlackGrid() << std::endl;
 
 	_Mat.Meooe(in,tmp);
 	_Mat.MooeeInv(tmp,out);
 	_Mat.Meooe(out,tmp);
 
+      //std::cout << "cb in " << in.checkerboard << "  cb out " << out.checkerboard << std::endl;
 	_Mat.Mooee(in,out);
 	return axpy_norm(out,-1.0,tmp,out);
       }
@@ -235,7 +233,7 @@ 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 +268,6 @@ namespace Grid {
 	return axpy_norm(out,-1.0,tmp,in);
       }
     };
-
     template<class Matrix,class Field>
       class SchurDiagTwoOperator :  public SchurOperatorBase<Field> {
     protected:
@@ -299,6 +296,82 @@ 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;
+      Field tmp;
+      RealD mass;
+      double tMpc;
+      double tIP;
+      double tMeo;
+      double taxpby_norm;
+      uint64_t ncall;
+    public:
+      void Report(void)
+      {
+	std::cout << GridLogMessage << " HermOpAndNorm.Mpc "<< tMpc/ncall<<" usec "<<std::endl;
+	std::cout << GridLogMessage << " HermOpAndNorm.IP  "<< tIP /ncall<<" usec "<<std::endl;
+	std::cout << GridLogMessage << " Mpc.MeoMoe        "<< tMeo/ncall<<" usec "<<std::endl;
+	std::cout << GridLogMessage << " Mpc.axpby_norm    "<< taxpby_norm/ncall<<" usec "<<std::endl;
+      }
+      SchurStaggeredOperator (Matrix &Mat): _Mat(Mat), tmp(_Mat.RedBlackGrid()) 
+      { 
+	assert( _Mat.isTrivialEE() );
+	mass = _Mat.Mass();
+	tMpc=0;
+	tIP =0;
+        tMeo=0;
+        taxpby_norm=0;
+	ncall=0;
+      }
+      virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
+	ncall++;
+	tMpc-=usecond();
+	n2 = Mpc(in,out);
+	tMpc+=usecond();
+	tIP-=usecond();
+	ComplexD dot= innerProduct(in,out);
+	tIP+=usecond();
+	n1 = real(dot);
+      }
+      virtual void HermOp(const Field &in, Field &out){
+	ncall++;
+	tMpc-=usecond();
+	_Mat.Meooe(in,out);
+	_Mat.Meooe(out,tmp);
+	tMpc+=usecond();
+	taxpby_norm-=usecond();
+	axpby(out,-1.0,mass*mass,tmp,in);
+	taxpby_norm+=usecond();
+      }
+      virtual  RealD Mpc      (const Field &in, Field &out) {
+	tMeo-=usecond();
+	_Mat.Meooe(in,out);
+	_Mat.Meooe(out,tmp);
+	tMeo+=usecond();
+	taxpby_norm-=usecond();
+	RealD nn=axpby_norm(out,-1.0,mass*mass,tmp,in);
+	taxpby_norm+=usecond();
+	return nn;
+      }
+      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 +387,14 @@ 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 +417,64 @@ 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];
+      }
+    };
+  };
 
 }
 

Grid/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();
 

Grid/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

Grid/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.h>
+#include <Grid/GridCore.h>
 
 namespace Grid {
 double MultiShiftFunction::approx(double x)

Grid/algorithms/approx/Remez.cc

@@ -20,7 +20,7 @@
 #include<iomanip>
 #include<cassert>
 
-#include<algorithms/approx/Remez.h>
+#include<Grid/algorithms/approx/Remez.h>
 
 // Constructor
 AlgRemez::AlgRemez(double lower, double upper, long precision) 

Grid/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"

Grid/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

Grid/algorithms/iterative/ConjugateGradient.h

@@ -45,13 +45,16 @@ 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);
 
@@ -67,7 +70,6 @@ class ConjugateGradient : public OperatorFunction<Field> {
 
     
     Linop.HermOpAndNorm(psi, mmp, d, b);
-    
 
     r = src - mmp;
     p = r;
@@ -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;
 
@@ -96,38 +92,46 @@ 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 InnerTimer;
+    GridStopWatch AxpyNormTimer;
+    GridStopWatch LinearCombTimer;
     GridStopWatch MatrixTimer;
     GridStopWatch SolverTimer;
 
     SolverTimer.Start();
     int k;
-    for (k = 1; k <= MaxIterations; k++) {
+    for (k = 1; k <= MaxIterations*1000; k++) {
       c = cp;
 
       MatrixTimer.Start();
-      Linop.HermOpAndNorm(p, mmp, d, qq);
+      Linop.HermOp(p, mmp);
       MatrixTimer.Stop();
 
       LinalgTimer.Start();
-      //  RealD    qqck = norm2(mmp);
-      //  ComplexD dck  = innerProduct(p,mmp);
 
+      InnerTimer.Start();
+      ComplexD dc  = innerProduct(p,mmp);
+      InnerTimer.Stop();
+      d = dc.real();
       a = c / d;
-      b_pred = a * (a * qq - d) / c;
 
+      AxpyNormTimer.Start();
       cp = axpy_norm(r, -a, mmp, r);
+      AxpyNormTimer.Stop();
       b = cp / c;
 
-      // Fuse these loops ; should be really easy
-      psi = a * p + psi;
-      p = p * b + r;
-
+      LinearCombTimer.Start();
+      parallel_for(int ss=0;ss<src._grid->oSites();ss++){
+	vstream(psi[ss], a      *  p[ss] + psi[ss]);
+	vstream(p  [ss], b      *  p[ss] + r[ss]);
+      }
+      LinearCombTimer.Stop();
       LinalgTimer.Stop();
+
       std::cout << GridLogIterative << "ConjugateGradient: Iteration " << k
                 << " residual " << cp << " target " << rsq << std::endl;
 
@@ -137,31 +141,36 @@ 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;
+	std::cout << GridLogMessage << "\tInner      " << InnerTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tAxpyNorm   " << AxpyNormTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tLinearComb " << LinearCombTimer.Elapsed() <<std::endl;
 
         if (ErrorOnNoConverge) assert(true_residual / Tolerance < 10000.0);
 
+	IterationsToComplete = k;	
+
         return;
       }
     }
     std::cout << GridLogMessage << "ConjugateGradient did NOT converge"
               << std::endl;
+
     if (ErrorOnNoConverge) assert(0);
+    IterationsToComplete = k;
+
   }
 };
 }

Grid/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){
@@ -55,6 +60,8 @@ namespace Grid {
     }
   
     void operator() (const FieldD &src_d_in, FieldD &sol_d){
+      TotalInnerIterations = 0;
+	
       GridStopWatch TotalTimer;
       TotalTimer.Start();
     
@@ -74,7 +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;
@@ -89,7 +96,9 @@ namespace Grid {
 
       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);
 	RealD norm = axpy_norm(src_d, -1., tmp_d, src_d_in); //src_d is residual vector
@@ -117,6 +126,7 @@ namespace Grid {
 	InnerCGtimer.Start();
 	CG_f(Linop_f, src_f, sol_f);
 	InnerCGtimer.Stop();
+	TotalInnerIterations += CG_f.IterationsToComplete;
       
 	//Convert sol back to double and add to double prec solution
 	PrecChangeTimer.Start();
@@ -131,9 +141,11 @@ namespace Grid {
     
       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;
     }
   };
 

Grid/algorithms/iterative/ConjugateGradientMultiShift.h

@@ -43,6 +43,7 @@ namespace Grid {
 public:                                                
     RealD   Tolerance;
     Integer MaxIterations;
+    Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
     int verbose;
     MultiShiftFunction shifts;
 
@@ -163,7 +164,16 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
   for(int s=0;s<nshift;s++) {
     axpby(psi[s],0.,-bs[s]*alpha[s],src,src);
   }
-  
+ 
+  ///////////////////////////////////////
+  // Timers
+  ///////////////////////////////////////
+  GridStopWatch AXPYTimer;
+  GridStopWatch ShiftTimer;
+  GridStopWatch QRTimer;
+  GridStopWatch MatrixTimer;
+  GridStopWatch SolverTimer;
+  SolverTimer.Start();
   
   // Iteration loop
   int k;
@@ -171,7 +181,9 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
   for (k=1;k<=MaxIterations;k++){
     
     a = c /cp;
+    AXPYTimer.Start();
     axpy(p,a,p,r);
+    AXPYTimer.Stop();
     
     // Note to self - direction ps is iterated seperately
     // for each shift. Does not appear to have any scope
@@ -180,6 +192,7 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
     // However SAME r is used. Could load "r" and update
     // ALL ps[s]. 2/3 Bandwidth saving
     // New Kernel: Load r, vector of coeffs, vector of pointers ps
+    AXPYTimer.Start();
     for(int s=0;s<nshift;s++){
       if ( ! converged[s] ) { 
 	if (s==0){
@@ -190,22 +203,34 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
 	}
       }
     }
+    AXPYTimer.Stop();
     
     cp=c;
+    MatrixTimer.Start();  
+    //Linop.HermOpAndNorm(p,mmp,d,qq); // d is used
+    // The below is faster on KNL
+    Linop.HermOp(p,mmp); 
+    d=real(innerProduct(p,mmp));
     
-    Linop.HermOpAndNorm(p,mmp,d,qq);
+    MatrixTimer.Stop();  
+
+    AXPYTimer.Start();
     axpy(mmp,mass[0],p,mmp);
+    AXPYTimer.Stop();
     RealD rn = norm2(p);
     d += rn*mass[0];
     
     bp=b;
     b=-cp/d;
     
+    AXPYTimer.Start();
     c=axpy_norm(r,b,mmp,r);
+    AXPYTimer.Stop();
 
     // Toggle the recurrence history
     bs[0] = b;
     iz = 1-iz;
+    ShiftTimer.Start();
     for(int s=1;s<nshift;s++){
       if((!converged[s])){
 	RealD z0 = z[s][1-iz];
@@ -215,6 +240,7 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
 	bs[s] = b*z[s][iz]/z0; // NB sign  rel to Mike
       }
     }
+    ShiftTimer.Stop();
     
     for(int s=0;s<nshift;s++){
       int ss = s;
@@ -257,6 +283,9 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
     
     if ( all_converged ){
 
+    SolverTimer.Stop();
+
+
       std::cout<<GridLogMessage<< "CGMultiShift: All shifts have converged iteration "<<k<<std::endl;
       std::cout<<GridLogMessage<< "CGMultiShift: Checking solutions"<<std::endl;
       
@@ -269,8 +298,19 @@ 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;
       }
+
+      std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
+      std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tAXPY    " << AXPYTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tMarix    " << MatrixTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tShift    " << ShiftTimer.Elapsed()     <<std::endl;
+
+      IterationsToComplete = k;	
+
       return;
     }
+
+   
   }
   // ugly hack
   std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;

Grid/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

Grid/algorithms/iterative/Deflation.h

@@ -0,0 +1,104 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef GRID_DEFLATION_H
+#define GRID_DEFLATION_H
+
+namespace Grid { 
+
+template<class Field>
+class ZeroGuesser: public LinearFunction<Field> {
+public:
+  virtual void operator()(const Field &src, Field &guess) { guess = zero; };
+};
+
+template<class Field>
+class SourceGuesser: public LinearFunction<Field> {
+public:
+  virtual void operator()(const Field &src, Field &guess) { guess = src; };
+};
+
+////////////////////////////////
+// Fine grid deflation
+////////////////////////////////
+template<class Field>
+class DeflatedGuesser: public LinearFunction<Field> {
+private:
+  const std::vector<Field> &evec;
+  const std::vector<RealD> &eval;
+
+public:
+
+  DeflatedGuesser(const std::vector<Field> & _evec,const std::vector<RealD> & _eval) : evec(_evec), eval(_eval) {};
+
+  virtual void operator()(const Field &src,Field &guess) {
+    guess = zero;
+    assert(evec.size()==eval.size());
+    auto N = evec.size();
+    for (int i=0;i<N;i++) {
+      const Field& tmp = evec[i];
+      axpy(guess,TensorRemove(innerProduct(tmp,src)) / eval[i],tmp,guess);
+    }
+    guess.checkerboard = src.checkerboard;
+  }
+};
+
+template<class FineField, class CoarseField>
+class LocalCoherenceDeflatedGuesser: public LinearFunction<FineField> {
+private:
+  const std::vector<FineField>   &subspace;
+  const std::vector<CoarseField> &evec_coarse;
+  const std::vector<RealD>       &eval_coarse;
+public:
+  
+  LocalCoherenceDeflatedGuesser(const std::vector<FineField>   &_subspace,
+				const std::vector<CoarseField> &_evec_coarse,
+				const std::vector<RealD>       &_eval_coarse)
+    : subspace(_subspace), 
+      evec_coarse(_evec_coarse), 
+      eval_coarse(_eval_coarse)  
+  {
+  }
+  
+  void operator()(const FineField &src,FineField &guess) { 
+    int N = (int)evec_coarse.size();
+    CoarseField src_coarse(evec_coarse[0]._grid);
+    CoarseField guess_coarse(evec_coarse[0]._grid);    guess_coarse = zero;
+    blockProject(src_coarse,src,subspace);    
+    for (int i=0;i<N;i++) {
+      const CoarseField & tmp = evec_coarse[i];
+      axpy(guess_coarse,TensorRemove(innerProduct(tmp,src_coarse)) / eval_coarse[i],tmp,guess_coarse);
+    }
+    blockPromote(guess_coarse,guess,subspace);
+    guess.checkerboard = src.checkerboard;
+  };
+};
+
+
+
+}
+#endif

Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h

@@ -0,0 +1,842 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+Author: Chulwoo Jung <chulwoo@bnl.gov>
+Author: Christoph Lehner <clehner@bnl.gov>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef GRID_BIRL_H
+#define GRID_BIRL_H
+
+#include <string.h> //memset
+//#include <zlib.h>
+#include <sys/stat.h>
+
+namespace Grid { 
+
+  ////////////////////////////////////////////////////////
+  // Move following 100 LOC to lattice/Lattice_basis.h
+  ////////////////////////////////////////////////////////
+template<class Field>
+void basisOrthogonalize(std::vector<Field> &basis,Field &w,int k) 
+{
+  for(int j=0; j<k; ++j){
+    auto ip = innerProduct(basis[j],w);
+    w = w - ip*basis[j];
+  }
+}
+
+template<class Field>
+void basisRotate(std::vector<Field> &basis,Eigen::MatrixXd& Qt,int j0, int j1, int k0,int k1,int Nm) 
+{
+  typedef typename Field::vector_object vobj;
+  GridBase* grid = basis[0]._grid;
+      
+  parallel_region
+  {
+
+    std::vector < vobj , commAllocator<vobj> > B(Nm); // Thread private
+       
+    parallel_for_internal(int ss=0;ss < grid->oSites();ss++){
+      for(int j=j0; j<j1; ++j) B[j]=0.;
+      
+      for(int j=j0; j<j1; ++j){
+	for(int k=k0; k<k1; ++k){
+	  B[j] +=Qt(j,k) * basis[k]._odata[ss];
+	}
+      }
+      for(int j=j0; j<j1; ++j){
+	  basis[j]._odata[ss] = B[j];
+      }
+    }
+  }
+}
+
+// Extract a single rotated vector
+template<class Field>
+void basisRotateJ(Field &result,std::vector<Field> &basis,Eigen::MatrixXd& Qt,int j, int k0,int k1,int Nm) 
+{
+  typedef typename Field::vector_object vobj;
+  GridBase* grid = basis[0]._grid;
+
+  result.checkerboard = basis[0].checkerboard;
+  parallel_for(int ss=0;ss < grid->oSites();ss++){
+    vobj B = zero;
+    for(int k=k0; k<k1; ++k){
+      B +=Qt(j,k) * basis[k]._odata[ss];
+    }
+    result._odata[ss] = B;
+  }
+}
+
+template<class Field>
+void basisReorderInPlace(std::vector<Field> &_v,std::vector<RealD>& sort_vals, std::vector<int>& idx) 
+{
+  int vlen = idx.size();
+
+  assert(vlen>=1);
+  assert(vlen<=sort_vals.size());
+  assert(vlen<=_v.size());
+
+  for (size_t i=0;i<vlen;i++) {
+
+    if (idx[i] != i) {
+
+      //////////////////////////////////////
+      // idx[i] is a table of desired sources giving a permutation.
+      // Swap v[i] with v[idx[i]].
+      // Find  j>i for which _vnew[j] = _vold[i],
+      // track the move idx[j] => idx[i]
+      // track the move idx[i] => i
+      //////////////////////////////////////
+      size_t j;
+      for (j=i;j<idx.size();j++)
+	if (idx[j]==i)
+	  break;
+
+      assert(idx[i] > i);     assert(j!=idx.size());      assert(idx[j]==i);
+
+      std::swap(_v[i]._odata,_v[idx[i]]._odata); // should use vector move constructor, no data copy
+      std::swap(sort_vals[i],sort_vals[idx[i]]);
+
+      idx[j] = idx[i];
+      idx[i] = i;
+    }
+  }
+}
+
+inline std::vector<int> basisSortGetIndex(std::vector<RealD>& sort_vals) 
+{
+  std::vector<int> idx(sort_vals.size());
+  std::iota(idx.begin(), idx.end(), 0);
+
+  // sort indexes based on comparing values in v
+  std::sort(idx.begin(), idx.end(), [&sort_vals](int i1, int i2) {
+    return ::fabs(sort_vals[i1]) < ::fabs(sort_vals[i2]);
+  });
+  return idx;
+}
+
+template<class Field>
+void basisSortInPlace(std::vector<Field> & _v,std::vector<RealD>& sort_vals, bool reverse) 
+{
+  std::vector<int> idx = basisSortGetIndex(sort_vals);
+  if (reverse)
+    std::reverse(idx.begin(), idx.end());
+  
+  basisReorderInPlace(_v,sort_vals,idx);
+}
+
+/////////////////////////////////////////////////////////////
+// Implicitly restarted lanczos
+/////////////////////////////////////////////////////////////
+template<class Field> class ImplicitlyRestartedLanczosTester 
+{
+ public:
+  virtual int TestConvergence(int j,RealD resid,Field &evec, RealD &eval,RealD evalMaxApprox)=0;
+  virtual int ReconstructEval(int j,RealD resid,Field &evec, RealD &eval,RealD evalMaxApprox)=0;
+};
+
+enum IRLdiagonalisation { 
+  IRLdiagonaliseWithDSTEGR,
+  IRLdiagonaliseWithQR,
+  IRLdiagonaliseWithEigen
+};
+
+template<class Field> class ImplicitlyRestartedLanczosHermOpTester  : public ImplicitlyRestartedLanczosTester<Field>
+{
+ public:
+
+  LinearFunction<Field>       &_HermOp;
+  ImplicitlyRestartedLanczosHermOpTester(LinearFunction<Field> &HermOp) : _HermOp(HermOp)  {  };
+  int ReconstructEval(int j,RealD resid,Field &B, RealD &eval,RealD evalMaxApprox)
+  {
+    return TestConvergence(j,resid,B,eval,evalMaxApprox);
+  }
+  int TestConvergence(int j,RealD eresid,Field &B, RealD &eval,RealD evalMaxApprox)
+  {
+    Field v(B);
+    RealD eval_poly = eval;
+    // Apply operator
+    _HermOp(B,v);
+
+    RealD vnum = real(innerProduct(B,v)); // HermOp.
+    RealD vden = norm2(B);
+    RealD vv0  = norm2(v);
+    eval   = vnum/vden;
+    v -= eval*B;
+
+    RealD vv = norm2(v) / ::pow(evalMaxApprox,2.0);
+
+    std::cout.precision(13);
+    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;
+  }
+};
+
+template<class Field> 
+class ImplicitlyRestartedLanczos {
+ private:
+  const RealD small = 1.0e-8;
+  int MaxIter;
+  int MinRestart; // Minimum number of restarts; only check for convergence after
+  int Nstop;   // Number of evecs checked for convergence
+  int Nk;      // Number of converged sought
+  //  int Np;      // Np -- Number of spare vecs in krylov space //  == Nm - Nk
+  int Nm;      // Nm -- total number of vectors
+  IRLdiagonalisation diagonalisation;
+  int orth_period;
+    
+  RealD OrthoTime;
+  RealD eresid, betastp;
+  ////////////////////////////////
+  // Embedded objects
+  ////////////////////////////////
+  LinearFunction<Field>       &_PolyOp;
+  LinearFunction<Field>       &_HermOp;
+  ImplicitlyRestartedLanczosTester<Field> &_Tester;
+  // Default tester provided (we need a ref to something in default case)
+  ImplicitlyRestartedLanczosHermOpTester<Field> SimpleTester;
+  /////////////////////////
+  // Constructor
+  /////////////////////////
+  
+public:       
+
+  //////////////////////////////////////////////////////////////////
+  // PAB:
+  //////////////////////////////////////////////////////////////////
+  // Too many options  & knobs. 
+  // Eliminate:
+  //   orth_period
+  //   betastp
+  //   MinRestart
+  //
+  // Do we really need orth_period
+  // What is the theoretical basis & guarantees of betastp ?
+  // Nstop=Nk viable?
+  // MinRestart avoidable with new convergence test?
+  // Could cut to PolyOp, HermOp, Tester, Nk, Nm, resid, maxiter (+diagonalisation)
+  // HermOp could be eliminated if we dropped the Power method for max eval.
+  // -- also: The eval, eval2, eval2_copy stuff is still unnecessarily unclear
+  //////////////////////////////////////////////////////////////////
+ ImplicitlyRestartedLanczos(LinearFunction<Field> & PolyOp,
+			    LinearFunction<Field> & HermOp,
+			    ImplicitlyRestartedLanczosTester<Field> & Tester,
+			    int _Nstop, // sought vecs
+			    int _Nk, // sought vecs
+			    int _Nm, // spare vecs
+			    RealD _eresid, // resid in lmdue deficit 
+			    int _MaxIter, // Max iterations
+			    RealD _betastp=0.0, // if beta(k) < betastp: converged
+			    int _MinRestart=1, int _orth_period = 1,
+			    IRLdiagonalisation _diagonalisation= IRLdiagonaliseWithEigen) :
+    SimpleTester(HermOp), _PolyOp(PolyOp),      _HermOp(HermOp), _Tester(Tester),
+    Nstop(_Nstop)  ,      Nk(_Nk),      Nm(_Nm),
+    eresid(_eresid),      betastp(_betastp),
+    MaxIter(_MaxIter)  ,      MinRestart(_MinRestart),
+    orth_period(_orth_period), diagonalisation(_diagonalisation)  { };
+
+    ImplicitlyRestartedLanczos(LinearFunction<Field> & PolyOp,
+			       LinearFunction<Field> & HermOp,
+			       int _Nstop, // sought vecs
+			       int _Nk, // sought vecs
+			       int _Nm, // spare vecs
+			       RealD _eresid, // resid in lmdue deficit 
+			       int _MaxIter, // Max iterations
+			       RealD _betastp=0.0, // if beta(k) < betastp: converged
+			       int _MinRestart=1, int _orth_period = 1,
+			       IRLdiagonalisation _diagonalisation= IRLdiagonaliseWithEigen) :
+    SimpleTester(HermOp),  _PolyOp(PolyOp),      _HermOp(HermOp), _Tester(SimpleTester),
+    Nstop(_Nstop)  ,      Nk(_Nk),      Nm(_Nm),
+    eresid(_eresid),      betastp(_betastp),
+    MaxIter(_MaxIter)  ,      MinRestart(_MinRestart),
+    orth_period(_orth_period), diagonalisation(_diagonalisation)  { };
+
+  ////////////////////////////////
+  // Helpers
+  ////////////////////////////////
+  template<typename T>  static RealD normalise(T& v) 
+  {
+    RealD nn = norm2(v);
+    nn = sqrt(nn);
+    v = v * (1.0/nn);
+    return nn;
+  }
+
+  void orthogonalize(Field& w, std::vector<Field>& evec,int k)
+  {
+    OrthoTime-=usecond()/1e6;
+    basisOrthogonalize(evec,w,k);
+    normalise(w);
+    OrthoTime+=usecond()/1e6;
+  }
+
+/* Rudy Arthur's thesis pp.137
+------------------------
+Require: M > K P = M − K †
+Compute the factorization AVM = VM HM + fM eM 
+repeat
+  Q=I
+  for i = 1,...,P do
+    QiRi =HM −θiI Q = QQi
+    H M = Q †i H M Q i
+  end for
+  βK =HM(K+1,K) σK =Q(M,K)
+  r=vK+1βK +rσK
+  VK =VM(1:M)Q(1:M,1:K)
+  HK =HM(1:K,1:K)
+  →AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM
+until convergence
+*/
+  void calc(std::vector<RealD>& eval, std::vector<Field>& evec,  const Field& src, int& Nconv, bool reverse=false)
+  {
+    GridBase *grid = src._grid;
+    assert(grid == evec[0]._grid);
+    
+    GridLogIRL.TimingMode(1);
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogIRL <<" ImplicitlyRestartedLanczos::calc() starting iteration 0 /  "<< MaxIter<< std::endl;
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogIRL <<" -- seek   Nk    = " << Nk    <<" vectors"<< std::endl;
+    std::cout << GridLogIRL <<" -- accept Nstop = " << Nstop <<" vectors"<< std::endl;
+    std::cout << GridLogIRL <<" -- total  Nm    = " << Nm    <<" vectors"<< std::endl;
+    std::cout << GridLogIRL <<" -- size of eval = " << eval.size() << std::endl;
+    std::cout << GridLogIRL <<" -- size of evec = " << evec.size() << std::endl;
+    if ( diagonalisation == IRLdiagonaliseWithDSTEGR ) {
+      std::cout << GridLogIRL << "Diagonalisation is DSTEGR "<<std::endl;
+    } else if ( diagonalisation == IRLdiagonaliseWithQR ) { 
+      std::cout << GridLogIRL << "Diagonalisation is QR "<<std::endl;
+    }  else if ( diagonalisation == IRLdiagonaliseWithEigen ) { 
+      std::cout << GridLogIRL << "Diagonalisation is Eigen "<<std::endl;
+    }
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
+	
+    assert(Nm <= evec.size() && Nm <= eval.size());
+    
+    // quickly get an idea of the largest eigenvalue to more properly normalize the residuum
+    RealD evalMaxApprox = 0.0;
+    {
+      auto src_n = src;
+      auto tmp = src;
+      const int _MAX_ITER_IRL_MEVAPP_ = 50;
+      for (int i=0;i<_MAX_ITER_IRL_MEVAPP_;i++) {
+	normalise(src_n);
+	_HermOp(src_n,tmp);
+	RealD vnum = real(innerProduct(src_n,tmp)); // HermOp.
+	RealD vden = norm2(src_n);
+	RealD na = vnum/vden;
+	if (fabs(evalMaxApprox/na - 1.0) < 0.05)
+	  i=_MAX_ITER_IRL_MEVAPP_;
+	evalMaxApprox = na;
+	std::cout << GridLogIRL << " Approximation of largest eigenvalue: " << evalMaxApprox << std::endl;
+	src_n = tmp;
+      }
+    }
+	
+    std::vector<RealD> lme(Nm);  
+    std::vector<RealD> lme2(Nm);
+    std::vector<RealD> eval2(Nm);
+    std::vector<RealD> eval2_copy(Nm);
+    Eigen::MatrixXd Qt = Eigen::MatrixXd::Zero(Nm,Nm);
+
+    Field f(grid);
+    Field v(grid);
+    int k1 = 1;
+    int k2 = Nk;
+    RealD beta_k;
+
+    Nconv = 0;
+  
+    // Set initial vector
+    evec[0] = src;
+    normalise(evec[0]);
+	
+    // Initial Nk steps
+    OrthoTime=0.;
+    for(int k=0; k<Nk; ++k) step(eval,lme,evec,f,Nm,k);
+    std::cout<<GridLogIRL <<"Initial "<< Nk <<"steps done "<<std::endl;
+    std::cout<<GridLogIRL <<"Initial steps:OrthoTime "<<OrthoTime<< "seconds"<<std::endl;
+
+    //////////////////////////////////
+    // Restarting loop begins
+    //////////////////////////////////
+    int iter;
+    for(iter = 0; iter<MaxIter; ++iter){
+      
+      OrthoTime=0.;
+
+      std::cout<< GridLogMessage <<" **********************"<< std::endl;
+      std::cout<< GridLogMessage <<" Restart iteration = "<< iter << std::endl;
+      std::cout<< GridLogMessage <<" **********************"<< std::endl;
+
+      std::cout<<GridLogIRL <<" running "<<Nm-Nk <<" steps: "<<std::endl;
+      for(int k=Nk; k<Nm; ++k) step(eval,lme,evec,f,Nm,k);
+      f *= lme[Nm-1];
+
+      std::cout<<GridLogIRL <<" "<<Nm-Nk <<" steps done "<<std::endl;
+      std::cout<<GridLogIRL <<"Initial steps:OrthoTime "<<OrthoTime<< "seconds"<<std::endl;
+	  
+      //////////////////////////////////
+      // getting eigenvalues
+      //////////////////////////////////
+      for(int k=0; k<Nm; ++k){
+	eval2[k] = eval[k+k1-1];
+	lme2[k] = lme[k+k1-1];
+      }
+      Qt = Eigen::MatrixXd::Identity(Nm,Nm);
+      diagonalize(eval2,lme2,Nm,Nm,Qt,grid);
+      std::cout<<GridLogIRL <<" diagonalized "<<std::endl;
+
+      //////////////////////////////////
+      // sorting
+      //////////////////////////////////
+      eval2_copy = eval2;
+      std::partial_sort(eval2.begin(),eval2.begin()+Nm,eval2.end(),std::greater<RealD>());
+      std::cout<<GridLogIRL <<" evals sorted "<<std::endl;
+      const int chunk=8;
+      for(int io=0; io<k2;io+=chunk){
+	std::cout<<GridLogIRL << "eval "<< std::setw(3) << io ;
+	for(int ii=0;ii<chunk;ii++){
+	  if ( (io+ii)<k2 )
+	    std::cout<< " "<< std::setw(12)<< eval2[io+ii];
+	}
+	std::cout << std::endl;
+      }
+
+      //////////////////////////////////
+      // Implicitly shifted QR transformations
+      //////////////////////////////////
+      Qt = Eigen::MatrixXd::Identity(Nm,Nm);
+      for(int ip=k2; ip<Nm; ++ip){ 
+	QR_decomp(eval,lme,Nm,Nm,Qt,eval2[ip],k1,Nm);
+      }
+      std::cout<<GridLogIRL <<"QR decomposed "<<std::endl;
+
+      assert(k2<Nm);      assert(k2<Nm);      assert(k1>0);
+
+      basisRotate(evec,Qt,k1-1,k2+1,0,Nm,Nm); /// big constraint on the basis
+      std::cout<<GridLogIRL <<"basisRotated  by Qt"<<std::endl;
+      
+      ////////////////////////////////////////////////////
+      // Compressed vector f and beta(k2)
+      ////////////////////////////////////////////////////
+      f *= Qt(k2-1,Nm-1);
+      f += lme[k2-1] * evec[k2];
+      beta_k = norm2(f);
+      beta_k = sqrt(beta_k);
+      std::cout<<GridLogIRL<<" beta(k) = "<<beta_k<<std::endl;
+	  
+      RealD betar = 1.0/beta_k;
+      evec[k2] = betar * f;
+      lme[k2-1] = beta_k;
+	  
+      ////////////////////////////////////////////////////
+      // Convergence test
+      ////////////////////////////////////////////////////
+      for(int k=0; k<Nm; ++k){    
+	eval2[k] = eval[k];
+	lme2[k] = lme[k];
+      }
+      Qt = Eigen::MatrixXd::Identity(Nm,Nm);
+      diagonalize(eval2,lme2,Nk,Nm,Qt,grid);
+      std::cout<<GridLogIRL <<" Diagonalized "<<std::endl;
+	  
+      Nconv = 0;
+      if (iter >= MinRestart) {
+
+	std::cout << GridLogIRL << "Test convergence: rotate subset of vectors to test convergence " << std::endl;
+
+	Field B(grid); B.checkerboard = evec[0].checkerboard;
+
+	//  power of two search pattern;  not every evalue in eval2 is assessed.
+	int allconv =1;
+	for(int jj = 1; jj<=Nstop; jj*=2){
+	  int j = Nstop-jj;
+	  RealD e = eval2_copy[j]; // Discard the evalue
+	  basisRotateJ(B,evec,Qt,j,0,Nk,Nm);	    
+	  if( !_Tester.TestConvergence(j,eresid,B,e,evalMaxApprox) ) {
+	    allconv=0;
+	  }
+	}
+	// Do evec[0] for good measure
+	{ 
+	  int j=0;
+	  RealD e = eval2_copy[0]; 
+	  basisRotateJ(B,evec,Qt,j,0,Nk,Nm);	    
+	  if( !_Tester.TestConvergence(j,eresid,B,e,evalMaxApprox) ) allconv=0;
+	}
+	if ( allconv ) Nconv = Nstop;
+
+	// test if we converged, if so, terminate
+	std::cout<<GridLogIRL<<" #modes converged: >= "<<Nconv<<"/"<<Nstop<<std::endl;
+	//	if( Nconv>=Nstop || beta_k < betastp){
+	if( Nconv>=Nstop){
+	  goto converged;
+	}
+	  
+      } else {
+	std::cout << GridLogIRL << "iter < MinRestart: do not yet test for convergence\n";
+      } // end of iter loop
+    }
+
+    std::cout<<GridLogError<<"\n NOT converged.\n";
+    abort();
+	
+  converged:
+    {
+      Field B(grid); B.checkerboard = evec[0].checkerboard;
+      basisRotate(evec,Qt,0,Nk,0,Nk,Nm);	    
+      std::cout << GridLogIRL << " Rotated basis"<<std::endl;
+      Nconv=0;
+      //////////////////////////////////////////////////////////////////////
+      // Full final convergence test; unconditionally applied
+      //////////////////////////////////////////////////////////////////////
+      for(int j = 0; j<=Nk; j++){
+	B=evec[j];
+	if( _Tester.ReconstructEval(j,eresid,B,eval2[j],evalMaxApprox) ) {
+	  Nconv++;
+	}
+      }
+
+      if ( Nconv < Nstop )
+	std::cout << GridLogIRL << "Nconv ("<<Nconv<<") < Nstop ("<<Nstop<<")"<<std::endl;
+
+      eval=eval2;
+      
+      //Keep only converged
+      eval.resize(Nconv);// Nstop?
+      evec.resize(Nconv,grid);// Nstop?
+      basisSortInPlace(evec,eval,reverse);
+      
+    }
+       
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogIRL << "ImplicitlyRestartedLanczos CONVERGED ; Summary :\n";
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogIRL << " -- Iterations  = "<< iter   << "\n";
+    std::cout << GridLogIRL << " -- beta(k)     = "<< beta_k << "\n";
+    std::cout << GridLogIRL << " -- Nconv       = "<< Nconv  << "\n";
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
+  }
+
+ private:
+/* Saad PP. 195
+1. Choose an initial vector v1 of 2-norm unity. Set β1 ≡ 0, v0 ≡ 0
+2. For k = 1,2,...,m Do:
+3. wk:=Avk−βkv_{k−1}      
+4. αk:=(wk,vk)       // 
+5. wk:=wk−αkvk       // wk orthog vk 
+6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
+7. vk+1 := wk/βk+1
+8. EndDo
+ */
+  void step(std::vector<RealD>& lmd,
+	    std::vector<RealD>& lme, 
+	    std::vector<Field>& evec,
+	    Field& w,int Nm,int k)
+  {
+    const RealD tiny = 1.0e-20;
+    assert( k< Nm );
+
+    GridStopWatch gsw_op,gsw_o;
+
+    Field& evec_k = evec[k];
+
+    _PolyOp(evec_k,w);    std::cout<<GridLogIRL << "PolyOp" <<std::endl;
+
+    if(k>0) w -= lme[k-1] * evec[k-1];
+
+    ComplexD zalph = innerProduct(evec_k,w); // 4. αk:=(wk,vk)
+    RealD     alph = real(zalph);
+
+    w = w - alph * evec_k;// 5. wk:=wk−αkvk
+
+    RealD beta = normalise(w); // 6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
+    // 7. vk+1 := wk/βk+1
+
+    lmd[k] = alph;
+    lme[k] = beta;
+
+    if (k>0 && k % orth_period == 0) {
+      orthogonalize(w,evec,k); // orthonormalise
+      std::cout<<GridLogIRL << "Orthogonalised " <<std::endl;
+    }
+
+    if(k < Nm-1) evec[k+1] = w;
+
+    std::cout<<GridLogIRL << "alpha[" << k << "] = " << zalph << " beta[" << k << "] = "<<beta<<std::endl;
+    if ( beta < tiny ) 
+      std::cout<<GridLogIRL << " beta is tiny "<<beta<<std::endl;
+  }
+
+  void diagonalize_Eigen(std::vector<RealD>& lmd, std::vector<RealD>& lme, 
+			 int Nk, int Nm,  
+			 Eigen::MatrixXd & Qt, // Nm x Nm
+			 GridBase *grid)
+  {
+    Eigen::MatrixXd TriDiag = Eigen::MatrixXd::Zero(Nk,Nk);
+
+    for(int i=0;i<Nk;i++)   TriDiag(i,i)   = lmd[i];
+    for(int i=0;i<Nk-1;i++) TriDiag(i,i+1) = lme[i];
+    for(int i=0;i<Nk-1;i++) TriDiag(i+1,i) = lme[i];
+    
+    Eigen::SelfAdjointEigenSolver<Eigen::MatrixXd> eigensolver(TriDiag);
+
+    for (int i = 0; i < Nk; i++) {
+      lmd[Nk-1-i] = eigensolver.eigenvalues()(i);
+    }
+    for (int i = 0; i < Nk; i++) {
+      for (int j = 0; j < Nk; j++) {
+	Qt(Nk-1-i,j) = eigensolver.eigenvectors()(j,i);
+      }
+    }
+  }
+
+  ///////////////////////////////////////////////////////////////////////////
+  // File could end here if settle on Eigen ??? !!!
+  ///////////////////////////////////////////////////////////////////////////
+  void QR_decomp(std::vector<RealD>& lmd,   // Nm 
+		 std::vector<RealD>& lme,   // Nm 
+		 int Nk, int Nm,            // Nk, Nm
+		 Eigen::MatrixXd& Qt,       // Nm x Nm matrix
+		 RealD Dsh, int kmin, int kmax)
+  {
+    int k = kmin-1;
+    RealD x;
+    
+    RealD Fden = 1.0/hypot(lmd[k]-Dsh,lme[k]);
+    RealD c = ( lmd[k] -Dsh) *Fden;
+    RealD s = -lme[k] *Fden;
+      
+    RealD tmpa1 = lmd[k];
+    RealD tmpa2 = lmd[k+1];
+    RealD tmpb  = lme[k];
+
+    lmd[k]   = c*c*tmpa1 +s*s*tmpa2 -2.0*c*s*tmpb;
+    lmd[k+1] = s*s*tmpa1 +c*c*tmpa2 +2.0*c*s*tmpb;
+    lme[k]   = c*s*(tmpa1-tmpa2) +(c*c-s*s)*tmpb;
+    x        =-s*lme[k+1];
+    lme[k+1] = c*lme[k+1];
+      
+    for(int i=0; i<Nk; ++i){
+      RealD Qtmp1 = Qt(k,i);
+      RealD Qtmp2 = Qt(k+1,i);
+      Qt(k,i)  = c*Qtmp1 - s*Qtmp2;
+      Qt(k+1,i)= s*Qtmp1 + c*Qtmp2; 
+    }
+
+    // Givens transformations
+    for(int k = kmin; k < kmax-1; ++k){
+      
+      RealD Fden = 1.0/hypot(x,lme[k-1]);
+      RealD c = lme[k-1]*Fden;
+      RealD s = - x*Fden;
+	
+      RealD tmpa1 = lmd[k];
+      RealD tmpa2 = lmd[k+1];
+      RealD tmpb  = lme[k];
+
+      lmd[k]   = c*c*tmpa1 +s*s*tmpa2 -2.0*c*s*tmpb;
+      lmd[k+1] = s*s*tmpa1 +c*c*tmpa2 +2.0*c*s*tmpb;
+      lme[k]   = c*s*(tmpa1-tmpa2) +(c*c-s*s)*tmpb;
+      lme[k-1] = c*lme[k-1] -s*x;
+
+      if(k != kmax-2){
+	x = -s*lme[k+1];
+	lme[k+1] = c*lme[k+1];
+      }
+
+      for(int i=0; i<Nk; ++i){
+	RealD Qtmp1 = Qt(k,i);
+	RealD Qtmp2 = Qt(k+1,i);
+	Qt(k,i)     = c*Qtmp1 -s*Qtmp2;
+	Qt(k+1,i)   = s*Qtmp1 +c*Qtmp2;
+      }
+    }
+  }
+
+  void diagonalize(std::vector<RealD>& lmd, std::vector<RealD>& lme, 
+		   int Nk, int Nm,   
+		   Eigen::MatrixXd & Qt,
+		   GridBase *grid)
+  {
+    Qt = Eigen::MatrixXd::Identity(Nm,Nm);
+    if ( diagonalisation == IRLdiagonaliseWithDSTEGR ) {
+      diagonalize_lapack(lmd,lme,Nk,Nm,Qt,grid);
+    } else if ( diagonalisation == IRLdiagonaliseWithQR ) { 
+      diagonalize_QR(lmd,lme,Nk,Nm,Qt,grid);
+    }  else if ( diagonalisation == IRLdiagonaliseWithEigen ) { 
+      diagonalize_Eigen(lmd,lme,Nk,Nm,Qt,grid);
+    } else { 
+      assert(0);
+    }
+  }
+
+#ifdef USE_LAPACK
+void LAPACK_dstegr(char *jobz, char *range, int *n, double *d, double *e,
+                   double *vl, double *vu, int *il, int *iu, double *abstol,
+                   int *m, double *w, double *z, int *ldz, int *isuppz,
+                   double *work, int *lwork, int *iwork, int *liwork,
+                   int *info);
+#endif
+
+void diagonalize_lapack(std::vector<RealD>& lmd,
+			std::vector<RealD>& lme, 
+			int Nk, int Nm,  
+			Eigen::MatrixXd& Qt,
+			GridBase *grid)
+{
+#ifdef USE_LAPACK
+  const int size = Nm;
+  int NN = Nk;
+  double evals_tmp[NN];
+  double evec_tmp[NN][NN];
+  memset(evec_tmp[0],0,sizeof(double)*NN*NN);
+  double DD[NN];
+  double EE[NN];
+  for (int i = 0; i< NN; i++) {
+    for (int j = i - 1; j <= i + 1; j++) {
+      if ( j < NN && j >= 0 ) {
+	if (i==j) DD[i] = lmd[i];
+	if (i==j) evals_tmp[i] = lmd[i];
+	if (j==(i-1)) EE[j] = lme[j];
+      }
+    }
+  }
+  int evals_found;
+  int lwork = ( (18*NN) > (1+4*NN+NN*NN)? (18*NN):(1+4*NN+NN*NN)) ;
+  int liwork =  3+NN*10 ;
+  int iwork[liwork];
+  double work[lwork];
+  int isuppz[2*NN];
+  char jobz = 'V'; // calculate evals & evecs
+  char range = 'I'; // calculate all evals
+  //    char range = 'A'; // calculate all evals
+  char uplo = 'U'; // refer to upper half of original matrix
+  char compz = 'I'; // Compute eigenvectors of tridiagonal matrix
+  int ifail[NN];
+  int info;
+  int total = grid->_Nprocessors;
+  int node  = grid->_processor;
+  int interval = (NN/total)+1;
+  double vl = 0.0, vu = 0.0;
+  int il = interval*node+1 , iu = interval*(node+1);
+  if (iu > NN)  iu=NN;
+  double tol = 0.0;
+  if (1) {
+    memset(evals_tmp,0,sizeof(double)*NN);
+    if ( il <= NN){
+      LAPACK_dstegr(&jobz, &range, &NN,
+		    (double*)DD, (double*)EE,
+		    &vl, &vu, &il, &iu, // these four are ignored if second parameteris 'A'
+		    &tol, // tolerance
+		    &evals_found, evals_tmp, (double*)evec_tmp, &NN,
+		    isuppz,
+		    work, &lwork, iwork, &liwork,
+		    &info);
+      for (int i = iu-1; i>= il-1; i--){
+	evals_tmp[i] = evals_tmp[i - (il-1)];
+	if (il>1) evals_tmp[i-(il-1)]=0.;
+	for (int j = 0; j< NN; j++){
+	  evec_tmp[i][j] = evec_tmp[i - (il-1)][j];
+	  if (il>1) evec_tmp[i-(il-1)][j]=0.;
+	}
+      }
+    }
+    {
+      grid->GlobalSumVector(evals_tmp,NN);
+      grid->GlobalSumVector((double*)evec_tmp,NN*NN);
+    }
+  } 
+  // Safer to sort instead of just reversing it, 
+  // but the document of the routine says evals are sorted in increasing order. 
+  // qr gives evals in decreasing order.
+  for(int i=0;i<NN;i++){
+    lmd [NN-1-i]=evals_tmp[i];
+    for(int j=0;j<NN;j++){
+      Qt((NN-1-i),j)=evec_tmp[i][j];
+    }
+  }
+#else 
+  assert(0);
+#endif
+}
+
+void diagonalize_QR(std::vector<RealD>& lmd, std::vector<RealD>& lme, 
+		    int Nk, int Nm,   
+		    Eigen::MatrixXd & Qt,
+		    GridBase *grid)
+{
+  int QRiter = 100*Nm;
+  int kmin = 1;
+  int kmax = Nk;
+  
+  // (this should be more sophisticated)
+  for(int iter=0; iter<QRiter; ++iter){
+    
+    // determination of 2x2 leading submatrix
+    RealD dsub = lmd[kmax-1]-lmd[kmax-2];
+    RealD dd = sqrt(dsub*dsub + 4.0*lme[kmax-2]*lme[kmax-2]);
+    RealD Dsh = 0.5*(lmd[kmax-2]+lmd[kmax-1] +dd*(dsub/fabs(dsub)));
+    // (Dsh: shift)
+    
+    // transformation
+    QR_decomp(lmd,lme,Nk,Nm,Qt,Dsh,kmin,kmax); // Nk, Nm
+    
+    // Convergence criterion (redef of kmin and kamx)
+    for(int j=kmax-1; j>= kmin; --j){
+      RealD dds = fabs(lmd[j-1])+fabs(lmd[j]);
+      if(fabs(lme[j-1])+dds > dds){
+	kmax = j+1;
+	goto continued;
+      }
+    }
+    QRiter = iter;
+    return;
+    
+  continued:
+    for(int j=0; j<kmax-1; ++j){
+      RealD dds = fabs(lmd[j])+fabs(lmd[j+1]);
+      if(fabs(lme[j])+dds > dds){
+	kmin = j+1;
+	break;
+      }
+    }
+  }
+  std::cout << GridLogError << "[QL method] Error - Too many iteration: "<<QRiter<<"\n";
+  abort();
+}
+};
+}
+#endif

Grid/algorithms/iterative/LocalCoherenceLanczos.h

@@ -0,0 +1,406 @@
+    /*************************************************************************************
+
+    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, saveEvecs,
+				  bool, doFine,
+				  bool, doFineRead,
+				  bool, doCoarse,
+	       			  bool, doCoarseRead,
+				  LanczosParams, FineParams,
+				  LanczosParams, CoarseParams,
+				  ChebyParams,   Smoother,
+				  RealD        , coarse_relax_tol,
+				  std::vector<int>, blockSize,
+				  std::string, config,
+				  std::vector < 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;
+  std::vector<FineField>        &subspace;
+
+  ProjectedHermOp(LinearOperatorBase<FineField>& linop, std::vector<FineField> & _subspace) : 
+    _Linop(linop), subspace(_subspace)
+  {  
+    assert(subspace.size() >0);
+  };
+
+  void operator()(const CoarseField& in, CoarseField& out) {
+    GridBase *FineGrid = subspace[0]._grid;    
+    int   checkerboard = subspace[0].checkerboard;
+      
+    FineField fin (FineGrid);     fin.checkerboard= checkerboard;
+    FineField fout(FineGrid);   fout.checkerboard = checkerboard;
+
+    blockPromote(in,fin,subspace);       std::cout<<GridLogIRL<<"ProjectedHermop : Promote to fine"<<std::endl;
+    _Linop.HermOp(fin,fout);             std::cout<<GridLogIRL<<"ProjectedHermop : HermOp (fine) "<<std::endl;
+    blockProject(out,fout,subspace);     std::cout<<GridLogIRL<<"ProjectedHermop : Project to coarse "<<std::endl;
+  }
+};
+
+template<class Fobj,class CComplex,int nbasis>
+class ProjectedFunctionHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
+public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<Fobj>          FineField;
+
+
+  OperatorFunction<FineField>   & _poly;
+  LinearOperatorBase<FineField> &_Linop;
+  std::vector<FineField>        &subspace;
+
+  ProjectedFunctionHermOp(OperatorFunction<FineField> & poly,
+			  LinearOperatorBase<FineField>& linop, 
+			  std::vector<FineField> & _subspace) :
+    _poly(poly),
+    _Linop(linop),
+    subspace(_subspace)
+  {  };
+
+  void operator()(const CoarseField& in, CoarseField& out) {
+    
+    GridBase *FineGrid = subspace[0]._grid;    
+    int   checkerboard = subspace[0].checkerboard;
+
+    FineField fin (FineGrid); fin.checkerboard =checkerboard;
+    FineField fout(FineGrid);fout.checkerboard =checkerboard;
+    
+    blockPromote(in,fin,subspace);             std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Promote to fine"<<std::endl;
+    _poly(_Linop,fin,fout);                    std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Poly "<<std::endl;
+    blockProject(out,fout,subspace);           std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Project to coarse "<<std::endl;
+  }
+};
+
+template<class Fobj,class CComplex,int nbasis>
+class ImplicitlyRestartedLanczosSmoothedTester  : public ImplicitlyRestartedLanczosTester<Lattice<iVector<CComplex,nbasis > > >
+{
+ public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<Fobj>          FineField;
+
+  LinearFunction<CoarseField> & _Poly;
+  OperatorFunction<FineField>   & _smoother;
+  LinearOperatorBase<FineField> &_Linop;
+  RealD                          _coarse_relax_tol;
+  std::vector<FineField>        &_subspace;
+  
+  ImplicitlyRestartedLanczosSmoothedTester(LinearFunction<CoarseField>   &Poly,
+					   OperatorFunction<FineField>   &smoother,
+					   LinearOperatorBase<FineField> &Linop,
+					   std::vector<FineField>        &subspace,
+					   RealD coarse_relax_tol=5.0e3) 
+    : _smoother(smoother), _Linop(Linop), _Poly(Poly), _subspace(subspace),
+      _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 = _subspace[0]._grid;    
+    int checkerboard   = _subspace[0].checkerboard;
+    FineField fB(FineGrid);fB.checkerboard =checkerboard;
+    FineField fv(FineGrid);fv.checkerboard =checkerboard;
+
+    blockPromote(B,fv,_subspace);  
+    
+    _smoother(_Linop,fv,fB); 
+
+    RealD eval_poly = eval;
+    _Linop.HermOp(fB,fv);
+
+    RealD vnum = real(innerProduct(fB,fv)); // HermOp.
+    RealD vden = norm2(fB);
+    RealD vv0  = norm2(fv);
+    eval   = vnum/vden;
+    fv -= eval*fB;
+    RealD vv = norm2(fv) / ::pow(evalMaxApprox,2.0);
+
+    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;
+  
+  std::vector<RealD>                              &evals_fine;
+  std::vector<RealD>                              &evals_coarse; 
+  std::vector<FineField>                          &subspace;
+  std::vector<CoarseField>                        &evec_coarse;
+
+private:
+  std::vector<RealD>                              _evals_fine;
+  std::vector<RealD>                              _evals_coarse; 
+  std::vector<FineField>                          _subspace;
+  std::vector<CoarseField>                        _evec_coarse;
+
+public:
+
+  LocalCoherenceLanczos(GridBase *FineGrid,
+			GridBase *CoarseGrid,
+			LinearOperatorBase<FineField> &FineOp,
+			int checkerboard) :
+    _CoarseGrid(CoarseGrid),
+    _FineGrid(FineGrid),
+    _FineOp(FineOp),
+    _checkerboard(checkerboard),
+    evals_fine  (_evals_fine),
+    evals_coarse(_evals_coarse),
+    subspace    (_subspace),
+    evec_coarse(_evec_coarse)
+  {
+    evals_fine.resize(0);
+    evals_coarse.resize(0);
+  };
+  //////////////////////////////////////////////////////////////////////////
+  // Alternate constructore, external storage for use by Hadrons module
+  //////////////////////////////////////////////////////////////////////////
+  LocalCoherenceLanczos(GridBase *FineGrid,
+			GridBase *CoarseGrid,
+			LinearOperatorBase<FineField> &FineOp,
+			int checkerboard,
+			std::vector<FineField>   &ext_subspace,
+			std::vector<CoarseField> &ext_coarse,
+			std::vector<RealD>       &ext_eval_fine,
+			std::vector<RealD>       &ext_eval_coarse
+			) :
+    _CoarseGrid(CoarseGrid),
+    _FineGrid(FineGrid),
+    _FineOp(FineOp),
+    _checkerboard(checkerboard),
+    evals_fine  (ext_eval_fine), 
+    evals_coarse(ext_eval_coarse),
+    subspace    (ext_subspace),
+    evec_coarse (ext_coarse)
+  {
+    evals_fine.resize(0);
+    evals_coarse.resize(0);
+  };
+
+  void Orthogonalise(void ) {
+    CoarseScalar InnerProd(_CoarseGrid);
+    std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
+    blockOrthogonalise(InnerProd,subspace);
+    std::cout << GridLogMessage <<" Gramm-Schmidt pass 2"<<std::endl;
+    blockOrthogonalise(InnerProd,subspace);
+  };
+
+  template<typename T>  static RealD normalise(T& v) 
+  {
+    RealD nn = norm2(v);
+    nn = ::sqrt(nn);
+    v = v * (1.0/nn);
+    return nn;
+  }
+  /*
+  void fakeFine(void)
+  {
+    int Nk = nbasis;
+    subspace.resize(Nk,_FineGrid);
+    subspace[0]=1.0;
+    subspace[0].checkerboard=_checkerboard;
+    normalise(subspace[0]);
+    PlainHermOp<FineField>    Op(_FineOp);
+    for(int k=1;k<Nk;k++){
+      subspace[k].checkerboard=_checkerboard;
+      Op(subspace[k-1],subspace[k]);
+      normalise(subspace[k]);
+    }
+  }
+  */
+
+  void testFine(RealD resid) 
+  {
+    assert(evals_fine.size() == nbasis);
+    assert(subspace.size() == nbasis);
+    PlainHermOp<FineField>    Op(_FineOp);
+    ImplicitlyRestartedLanczosHermOpTester<FineField> SimpleTester(Op);
+    for(int k=0;k<nbasis;k++){
+      assert(SimpleTester.ReconstructEval(k,resid,subspace[k],evals_fine[k],1.0)==1);
+    }
+  }
+
+  void testCoarse(RealD resid,ChebyParams cheby_smooth,RealD relax) 
+  {
+    assert(evals_fine.size() == nbasis);
+    assert(subspace.size() == nbasis);
+    //////////////////////////////////////////////////////////////////////////////////////////////////
+    // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
+    //////////////////////////////////////////////////////////////////////////////////////////////////
+    Chebyshev<FineField>                          ChebySmooth(cheby_smooth);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (ChebySmooth,_FineOp,subspace);
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax);
+
+    for(int k=0;k<evec_coarse.size();k++){
+      if ( k < nbasis ) { 
+	assert(ChebySmoothTester.ReconstructEval(k,resid,evec_coarse[k],evals_coarse[k],1.0)==1);
+      } else { 
+	assert(ChebySmoothTester.ReconstructEval(k,resid*relax,evec_coarse[k],evals_coarse[k],1.0)==1);
+      }
+    }
+  }
+
+  void calcFine(ChebyParams cheby_parms,int Nstop,int Nk,int Nm,RealD resid, 
+		RealD MaxIt, RealD betastp, int MinRes)
+  {
+    assert(nbasis<=Nm);
+    Chebyshev<FineField>      Cheby(cheby_parms);
+    FunctionHermOp<FineField> ChebyOp(Cheby,_FineOp);
+    PlainHermOp<FineField>    Op(_FineOp);
+
+    evals_fine.resize(Nm);
+    subspace.resize(Nm,_FineGrid);
+
+    ImplicitlyRestartedLanczos<FineField> IRL(ChebyOp,Op,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
+
+    FineField src(_FineGrid); src=1.0; src.checkerboard = _checkerboard;
+
+    int Nconv;
+    IRL.calc(evals_fine,subspace,src,Nconv,false);
+    
+    // Shrink down to number saved
+    assert(Nstop>=nbasis);
+    assert(Nconv>=nbasis);
+    evals_fine.resize(nbasis);
+    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,subspace);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace);
+    //////////////////////////////////////////////////////////////////////////////////////////////////
+    // 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,subspace,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

Grid/algorithms/iterative/Reconstruct5Dprop.h

@@ -0,0 +1,186 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/SchurRedBlack.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#pragma once
+
+namespace Grid {
+namespace QCD {
+
+
+template<class Field>
+class PauliVillarsSolverUnprec
+{
+ public:
+  ConjugateGradient<Field> & CG;
+  PauliVillarsSolverUnprec(  ConjugateGradient<Field> &_CG) : CG(_CG){};
+
+  template<class Matrix>
+  void operator() (Matrix &_Matrix,const Field &src,Field &sol)
+  {
+    RealD m = _Matrix.Mass();
+    Field A  (_Matrix.FermionGrid());
+
+    MdagMLinearOperator<Matrix,Field> HermOp(_Matrix);
+
+    _Matrix.SetMass(1.0);
+    _Matrix.Mdag(src,A);
+    CG(HermOp,A,sol);
+    _Matrix.SetMass(m);
+  };
+};
+
+template<class Field>
+class PauliVillarsSolverRBprec
+{
+ public:
+  ConjugateGradient<Field> & CG;
+  PauliVillarsSolverRBprec(  ConjugateGradient<Field> &_CG) : CG(_CG){};
+
+  template<class Matrix>
+  void operator() (Matrix &_Matrix,const Field &src,Field &sol)
+  {
+    RealD m = _Matrix.Mass();
+    Field A  (_Matrix.FermionGrid());
+
+    _Matrix.SetMass(1.0);
+    SchurRedBlackDiagMooeeSolve<Field> SchurSolver(CG);
+    SchurSolver(_Matrix,src,sol);
+    _Matrix.SetMass(m);
+  };
+};
+
+template<class Field,class PVinverter> class Reconstruct5DfromPhysical {
+ private:
+  PVinverter & PauliVillarsSolver;
+ public:
+
+ /////////////////////////////////////////////////////
+ // First cut works, 10 Oct 2018.
+ //
+ // Must form a plan to get this into production for Zmobius acceleration
+ // of the Mobius exact AMA corrections.
+ //
+ // TODO : understand absence of contact term in eqns in Hantao's thesis
+ //        sol4 is contact term subtracted.
+ //
+ // Options
+ // a) Defect correction approach:
+ //    1) Compute defect from current soln (initially guess).
+ //       This is ...... outerToInner check !!!!
+ //    2) Deflated Zmobius solve to get 4d soln
+ //       Ensure deflation is working
+ //    3) Refine 5d Outer using the inner 4d delta soln
+ // 
+ // Step 1: localise PV inverse in a routine. [DONE]
+ // Step 2: Schur based PV inverse            [DONE]
+ // Step 3: Fourier accelerated PV inverse
+ // Step 4: 
+ /////////////////////////////////////////////////////
+ 
+  Reconstruct5DfromPhysical(PVinverter &_PauliVillarsSolver) 
+    : PauliVillarsSolver(_PauliVillarsSolver) 
+  { 
+  };
+
+
+   template<class Matrix>
+   void PV(Matrix &_Matrix,const Field &src,Field &sol)
+   {
+     RealD m = _Matrix.Mass();
+     _Matrix.SetMass(1.0);
+     _Matrix.M(src,sol);
+     _Matrix.SetMass(m);
+   }
+   template<class Matrix>
+   void PVdag(Matrix &_Matrix,const Field &src,Field &sol)
+   {
+     RealD m = _Matrix.Mass();
+     _Matrix.SetMass(1.0);
+     _Matrix.Mdag(src,sol);
+     _Matrix.SetMass(m);
+   }
+  template<class Matrix>
+  void operator() (Matrix & _Matrix,const Field &sol4,const Field &src4, Field &sol5){
+
+    int Ls =  _Matrix.Ls;
+
+    Field psi4(_Matrix.GaugeGrid());
+    Field psi(_Matrix.FermionGrid());
+    Field A  (_Matrix.FermionGrid());
+    Field B  (_Matrix.FermionGrid());
+    Field c  (_Matrix.FermionGrid());
+
+    typedef typename Matrix::Coeff_t Coeff_t;
+
+    std::cout << GridLogMessage<< " ************************************************" << std::endl;
+    std::cout << GridLogMessage<< " Reconstruct5Dprop: c.f. MADWF algorithm         " << std::endl;
+    std::cout << GridLogMessage<< " ************************************************" << std::endl;
+
+    ///////////////////////////////////////
+    //Import source, include Dminus factors
+    ///////////////////////////////////////
+    _Matrix.ImportPhysicalFermionSource(src4,B); 
+
+    ///////////////////////////////////////
+    // Set up c from src4
+    ///////////////////////////////////////
+    PauliVillarsSolver(_Matrix,B,A);
+    _Matrix.Pdag(A,c);
+
+    //////////////////////////////////////
+    // Build Pdag PV^-1 Dm P [-sol4,c2,c3... cL]
+    //////////////////////////////////////
+    psi4 = - sol4;
+    InsertSlice(psi4, psi, 0   , 0);
+    for (int s=1;s<Ls;s++) {
+      ExtractSlice(psi4,c,s,0);
+       InsertSlice(psi4,psi,s,0);
+    }
+
+    /////////////////////////////
+    // Pdag PV^-1 Dm P 
+    /////////////////////////////
+    _Matrix.P(psi,B);
+    _Matrix.M(B,A);
+    PauliVillarsSolver(_Matrix,A,B);
+    _Matrix.Pdag(B,A);
+
+    //////////////////////////////
+    // Reinsert surface prop
+    //////////////////////////////
+    InsertSlice(sol4,A,0,0);
+
+    //////////////////////////////
+    // Convert from y back to x 
+    //////////////////////////////
+    _Matrix.P(A,sol5);
+    
+  }
+};
+
+}
+}

Grid/algorithms/iterative/SchurRedBlack.h

@@ -0,0 +1,503 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/SchurRedBlack.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef GRID_SCHUR_RED_BLACK_H
+#define GRID_SCHUR_RED_BLACK_H
+
+
+  /*
+   * Red black Schur decomposition
+   *
+   *  M = (Mee Meo) =  (1             0 )   (Mee   0               )  (1 Mee^{-1} Meo)
+   *      (Moe Moo)    (Moe Mee^-1    1 )   (0   Moo-Moe Mee^-1 Meo)  (0   1         )
+   *                =         L                     D                     U
+   *
+   * L^-1 = (1              0 )
+   *        (-MoeMee^{-1}   1 )   
+   * L^{dag} = ( 1       Mee^{-dag} Moe^{dag} )
+   *           ( 0       1                    )
+   * L^{-d}  = ( 1      -Mee^{-dag} Moe^{dag} )
+   *           ( 0       1                    )
+   *
+   * U^-1 = (1   -Mee^{-1} Meo)
+   *        (0    1           )
+   * U^{dag} = ( 1                 0)
+   *           (Meo^dag Mee^{-dag} 1)
+   * U^{-dag} = (  1                 0)
+   *            (-Meo^dag Mee^{-dag} 1)
+   ***********************
+   *     M psi = eta
+   ***********************
+   *Odd
+   * i)                 D_oo psi_o =  L^{-1}  eta_o
+   *                        eta_o' = (D_oo)^dag (eta_o - Moe Mee^{-1} eta_e)
+   *
+   * Wilson:
+   *      (D_oo)^{\dag} D_oo psi_o = (D_oo)^dag L^{-1}  eta_o
+   * Stag:
+   *      D_oo psi_o = L^{-1}  eta =    (eta_o - Moe Mee^{-1} eta_e)
+   *
+   * L^-1 eta_o= (1              0 ) (e
+   *             (-MoeMee^{-1}   1 )   
+   *
+   *Even
+   * ii)  Mee psi_e + Meo psi_o = src_e
+   *
+   *   => sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
+   *
+   * 
+   * TODO: Other options:
+   * 
+   * a) change checkerboards for Schur e<->o
+   *
+   * Left precon by Moo^-1
+   * b) Doo^{dag} M_oo^-dag Moo^-1 Doo psi_0 =  (D_oo)^dag M_oo^-dag Moo^-1 L^{-1}  eta_o
+   *                              eta_o'     = (D_oo)^dag  M_oo^-dag Moo^-1 (eta_o - Moe Mee^{-1} eta_e)
+   *
+   * Right precon by Moo^-1
+   * c) M_oo^-dag Doo^{dag} Doo Moo^-1 phi_0 = M_oo^-dag (D_oo)^dag L^{-1}  eta_o
+   *                              eta_o'     = M_oo^-dag (D_oo)^dag (eta_o - Moe Mee^{-1} eta_e)
+   *                              psi_o = M_oo^-1 phi_o
+   * TODO: Deflation 
+   */
+namespace Grid {
+
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Take a matrix and form a Red Black solver calling a Herm solver
+  // Use of RB info prevents making SchurRedBlackSolve conform to standard interface
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Now make the norm reflect extra factor of Mee
+  template<class Field> class SchurRedBlackStaggeredSolve {
+  private:
+    OperatorFunction<Field> & _HermitianRBSolver;
+    int CBfactorise;
+    bool subGuess;
+  public:
+
+    /////////////////////////////////////////////////////
+    // Wrap the usual normal equations Schur trick
+    /////////////////////////////////////////////////////
+  SchurRedBlackStaggeredSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false)  :
+     _HermitianRBSolver(HermitianRBSolver) 
+    { 
+      CBfactorise=0;
+      subtractGuess(initSubGuess);
+    };
+    void subtractGuess(const bool initSubGuess)
+    {
+      subGuess = initSubGuess;
+    }
+    bool isSubtractGuess(void)
+    {
+      return subGuess;
+    }
+
+    template<class Matrix>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser<Field> guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix, class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out, Guesser &guess){
+
+      // FIXME CGdiagonalMee not implemented virtual function
+      // FIXME use CBfactorise to control schur decomp
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      SchurStaggeredOperator<Matrix,Field> _HermOpEO(_Matrix);
+ 
+      Field src_e(grid);
+      Field src_o(grid);
+      Field sol_e(grid);
+      Field sol_o(grid);
+      Field   tmp(grid);
+      Field  Mtmp(grid);
+      Field resid(fgrid);
+      
+      std::cout << GridLogMessage << " SchurRedBlackStaggeredSolve " <<std::endl;
+      pickCheckerboard(Even,src_e,in);
+      pickCheckerboard(Odd ,src_o,in);
+      pickCheckerboard(Even,sol_e,out);
+      pickCheckerboard(Odd ,sol_o,out);
+      std::cout << GridLogMessage << " SchurRedBlackStaggeredSolve checkerboards picked" <<std::endl;
+    
+      /////////////////////////////////////////////////////
+      // src_o = (source_o - Moe MeeInv source_e)
+      /////////////////////////////////////////////////////
+      _Matrix.MooeeInv(src_e,tmp);     assert(  tmp.checkerboard ==Even);
+      _Matrix.Meooe   (tmp,Mtmp);      assert( Mtmp.checkerboard ==Odd);     
+      tmp=src_o-Mtmp;                  assert(  tmp.checkerboard ==Odd);     
+
+      //src_o = tmp;     assert(src_o.checkerboard ==Odd);
+      _Matrix.Mooee(tmp,src_o); // Extra factor of "m" in source from dumb choice of matrix norm.
+
+      //////////////////////////////////////////////////////////////
+      // Call the red-black solver
+      //////////////////////////////////////////////////////////////
+      std::cout<<GridLogMessage << "SchurRedBlackStaggeredSolver calling the Mpc solver" <<std::endl;
+      guess(src_o, sol_o);
+      Mtmp = sol_o;
+      _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
+      std::cout<<GridLogMessage << "SchurRedBlackStaggeredSolver called  the Mpc solver" <<std::endl;
+      // Fionn A2A boolean behavioural control
+      if (subGuess)        sol_o = sol_o-Mtmp;
+
+      ///////////////////////////////////////////////////
+      // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
+      ///////////////////////////////////////////////////
+      _Matrix.Meooe(sol_o,tmp);        assert(  tmp.checkerboard   ==Even);
+      src_e = src_e-tmp;               assert(  src_e.checkerboard ==Even);
+      _Matrix.MooeeInv(src_e,sol_e);   assert(  sol_e.checkerboard ==Even);
+     
+      std::cout<<GridLogMessage << "SchurRedBlackStaggeredSolver reconstructed other CB" <<std::endl;
+      setCheckerboard(out,sol_e); assert(  sol_e.checkerboard ==Even);
+      setCheckerboard(out,sol_o); assert(  sol_o.checkerboard ==Odd );
+      std::cout<<GridLogMessage << "SchurRedBlackStaggeredSolver inserted solution" <<std::endl;
+
+      // Verify the unprec residual
+      if ( ! subGuess ) {
+        _Matrix.M(out,resid); 
+        resid = resid-in;
+        RealD ns = norm2(in);
+        RealD nr = norm2(resid);
+        std::cout<<GridLogMessage << "SchurRedBlackStaggered solver true unprec resid "<< std::sqrt(nr/ns) <<" nr "<< nr <<" ns "<<ns << std::endl;
+      } else {
+        std::cout << GridLogMessage << "Guess subtracted after solve." << std::endl;
+      }
+    }     
+  };
+  template<class Field> using SchurRedBlackStagSolve = SchurRedBlackStaggeredSolve<Field>;
+
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Take a matrix and form a Red Black solver calling a Herm solver
+  // Use of RB info prevents making SchurRedBlackSolve conform to standard interface
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  template<class Field> class SchurRedBlackDiagMooeeSolve {
+  private:
+    OperatorFunction<Field> & _HermitianRBSolver;
+    int CBfactorise;
+    bool subGuess;
+  public:
+
+    /////////////////////////////////////////////////////
+    // Wrap the usual normal equations Schur trick
+    /////////////////////////////////////////////////////
+  SchurRedBlackDiagMooeeSolve(OperatorFunction<Field> &HermitianRBSolver,int cb=0, const bool initSubGuess = false)  :  _HermitianRBSolver(HermitianRBSolver) 
+  { 
+    CBfactorise=cb;
+    subtractGuess(initSubGuess);
+  };
+    void subtractGuess(const bool initSubGuess)
+    {
+      subGuess = initSubGuess;
+    }
+    bool isSubtractGuess(void)
+    {
+      return subGuess;
+    }
+    template<class Matrix>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser<Field> guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix, class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out,Guesser &guess){
+
+      // FIXME CGdiagonalMee not implemented virtual function
+      // FIXME use CBfactorise to control schur decomp
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      SchurDiagMooeeOperator<Matrix,Field> _HermOpEO(_Matrix);
+ 
+      Field src_e(grid);
+      Field src_o(grid);
+      Field sol_e(grid);
+      Field sol_o(grid);
+      Field   tmp(grid);
+      Field  Mtmp(grid);
+      Field resid(fgrid);
+
+      pickCheckerboard(Even,src_e,in);
+      pickCheckerboard(Odd ,src_o,in);
+      pickCheckerboard(Even,sol_e,out);
+      pickCheckerboard(Odd ,sol_o,out);
+    
+      /////////////////////////////////////////////////////
+      // src_o = Mdag * (source_o - Moe MeeInv source_e)
+      /////////////////////////////////////////////////////
+      _Matrix.MooeeInv(src_e,tmp);     assert(  tmp.checkerboard ==Even);
+      _Matrix.Meooe   (tmp,Mtmp);      assert( Mtmp.checkerboard ==Odd);     
+      tmp=src_o-Mtmp;                  assert(  tmp.checkerboard ==Odd);     
+
+      // get the right MpcDag
+      _HermOpEO.MpcDag(tmp,src_o);     assert(src_o.checkerboard ==Odd);       
+
+      //////////////////////////////////////////////////////////////
+      // Call the red-black solver
+      //////////////////////////////////////////////////////////////
+      std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
+      guess(src_o,sol_o);
+      Mtmp = sol_o;
+      _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
+      // Fionn A2A boolean behavioural control
+      if (subGuess)        sol_o = sol_o-Mtmp;
+
+      ///////////////////////////////////////////////////
+      // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
+      ///////////////////////////////////////////////////
+      _Matrix.Meooe(sol_o,tmp);        assert(  tmp.checkerboard   ==Even);
+      src_e = src_e-tmp;               assert(  src_e.checkerboard ==Even);
+      _Matrix.MooeeInv(src_e,sol_e);   assert(  sol_e.checkerboard ==Even);
+     
+      setCheckerboard(out,sol_e); assert(  sol_e.checkerboard ==Even);
+      setCheckerboard(out,sol_o); assert(  sol_o.checkerboard ==Odd );
+
+      // Verify the unprec residual
+      if ( ! subGuess ) {
+        _Matrix.M(out,resid); 
+        resid = resid-in;
+        RealD ns = norm2(in);
+        RealD nr = norm2(resid);
+
+        std::cout<<GridLogMessage << "SchurRedBlackDiagMooee solver true unprec resid "<< std::sqrt(nr/ns) <<" nr "<< nr <<" ns "<<ns << std::endl;
+      } else {
+        std::cout << GridLogMessage << "Guess subtracted after solve." << std::endl;
+      }
+    }     
+  };
+
+
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Take a matrix and form a Red Black solver calling a Herm solver
+  // Use of RB info prevents making SchurRedBlackSolve conform to standard interface
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  template<class Field> class SchurRedBlackDiagTwoSolve {
+  private:
+    OperatorFunction<Field> & _HermitianRBSolver;
+    int CBfactorise;
+    bool subGuess;
+  public:
+
+    /////////////////////////////////////////////////////
+    // Wrap the usual normal equations Schur trick
+    /////////////////////////////////////////////////////
+  SchurRedBlackDiagTwoSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false)  :
+     _HermitianRBSolver(HermitianRBSolver) 
+    { 
+      CBfactorise = 0;
+      subtractGuess(initSubGuess);
+    };
+    void subtractGuess(const bool initSubGuess)
+    {
+      subGuess = initSubGuess;
+    }
+    bool isSubtractGuess(void)
+    {
+      return subGuess;
+    }
+
+    template<class Matrix>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser<Field> guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix,class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out,Guesser &guess){
+
+      // FIXME CGdiagonalMee not implemented virtual function
+      // FIXME use CBfactorise to control schur decomp
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      SchurDiagTwoOperator<Matrix,Field> _HermOpEO(_Matrix);
+ 
+      Field src_e(grid);
+      Field src_o(grid);
+      Field sol_e(grid);
+      Field sol_o(grid);
+      Field   tmp(grid);
+      Field  Mtmp(grid);
+      Field resid(fgrid);
+
+      pickCheckerboard(Even,src_e,in);
+      pickCheckerboard(Odd ,src_o,in);
+      pickCheckerboard(Even,sol_e,out);
+      pickCheckerboard(Odd ,sol_o,out);
+    
+      /////////////////////////////////////////////////////
+      // src_o = Mdag * (source_o - Moe MeeInv source_e)
+      /////////////////////////////////////////////////////
+      _Matrix.MooeeInv(src_e,tmp);     assert(  tmp.checkerboard ==Even);
+      _Matrix.Meooe   (tmp,Mtmp);      assert( Mtmp.checkerboard ==Odd);     
+      tmp=src_o-Mtmp;                  assert(  tmp.checkerboard ==Odd);     
+
+      // get the right MpcDag
+      _HermOpEO.MpcDag(tmp,src_o);     assert(src_o.checkerboard ==Odd);       
+
+      //////////////////////////////////////////////////////////////
+      // Call the red-black solver
+      //////////////////////////////////////////////////////////////
+      std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
+//      _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
+      guess(src_o,tmp);
+      Mtmp = tmp;
+      _HermitianRBSolver(_HermOpEO,src_o,tmp);  assert(tmp.checkerboard==Odd);
+      // Fionn A2A boolean behavioural control
+      if (subGuess)      tmp = tmp-Mtmp;
+      _Matrix.MooeeInv(tmp,sol_o);       assert(  sol_o.checkerboard   ==Odd);
+
+      ///////////////////////////////////////////////////
+      // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
+      ///////////////////////////////////////////////////
+      _Matrix.Meooe(sol_o,tmp);        assert(  tmp.checkerboard   ==Even);
+      src_e = src_e-tmp;               assert(  src_e.checkerboard ==Even);
+      _Matrix.MooeeInv(src_e,sol_e);   assert(  sol_e.checkerboard ==Even);
+     
+      setCheckerboard(out,sol_e); assert(  sol_e.checkerboard ==Even);
+      setCheckerboard(out,sol_o); assert(  sol_o.checkerboard ==Odd );
+
+      // Verify the unprec residual
+      if ( ! subGuess ) {
+        _Matrix.M(out,resid); 
+        resid = resid-in;
+        RealD ns = norm2(in);
+        RealD nr = norm2(resid);
+
+        std::cout<<GridLogMessage << "SchurRedBlackDiagTwo solver true unprec resid "<< std::sqrt(nr/ns) <<" nr "<< nr <<" ns "<<ns << std::endl;
+      } else {
+        std::cout << GridLogMessage << "Guess subtracted after solve." << std::endl;
+      }
+    }     
+  };
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Take a matrix and form a Red Black solver calling a Herm solver
+  // Use of RB info prevents making SchurRedBlackSolve conform to standard interface
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  template<class Field> class SchurRedBlackDiagTwoMixed {
+  private:
+    LinearFunction<Field> & _HermitianRBSolver;
+    int CBfactorise;
+    bool subGuess;
+  public:
+
+    /////////////////////////////////////////////////////
+    // Wrap the usual normal equations Schur trick
+    /////////////////////////////////////////////////////
+  SchurRedBlackDiagTwoMixed(LinearFunction<Field> &HermitianRBSolver, const bool initSubGuess = false)  :
+     _HermitianRBSolver(HermitianRBSolver) 
+    { 
+      CBfactorise=0;
+      subtractGuess(initSubGuess);
+    };
+    void subtractGuess(const bool initSubGuess)
+    {
+      subGuess = initSubGuess;
+    }
+    bool isSubtractGuess(void)
+    {
+      return subGuess;
+    }
+
+    template<class Matrix>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser<Field> guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix, class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out,Guesser &guess){
+
+      // FIXME CGdiagonalMee not implemented virtual function
+      // FIXME use CBfactorise to control schur decomp
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      SchurDiagTwoOperator<Matrix,Field> _HermOpEO(_Matrix);
+ 
+      Field src_e(grid);
+      Field src_o(grid);
+      Field sol_e(grid);
+      Field sol_o(grid);
+      Field   tmp(grid);
+      Field  Mtmp(grid);
+      Field resid(fgrid);
+
+      pickCheckerboard(Even,src_e,in);
+      pickCheckerboard(Odd ,src_o,in);
+      pickCheckerboard(Even,sol_e,out);
+      pickCheckerboard(Odd ,sol_o,out);
+    
+      /////////////////////////////////////////////////////
+      // src_o = Mdag * (source_o - Moe MeeInv source_e)
+      /////////////////////////////////////////////////////
+      _Matrix.MooeeInv(src_e,tmp);     assert(  tmp.checkerboard ==Even);
+      _Matrix.Meooe   (tmp,Mtmp);      assert( Mtmp.checkerboard ==Odd);     
+      tmp=src_o-Mtmp;                  assert(  tmp.checkerboard ==Odd);     
+
+      // get the right MpcDag
+      _HermOpEO.MpcDag(tmp,src_o);     assert(src_o.checkerboard ==Odd);       
+
+      //////////////////////////////////////////////////////////////
+      // Call the red-black solver
+      //////////////////////////////////////////////////////////////
+      std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
+//      _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
+//      _HermitianRBSolver(_HermOpEO,src_o,tmp);  assert(tmp.checkerboard==Odd);
+      guess(src_o,tmp);
+      Mtmp = tmp;
+      _HermitianRBSolver(_HermOpEO,src_o,tmp);  assert(tmp.checkerboard==Odd);
+      // Fionn A2A boolean behavioural control
+      if (subGuess)      tmp = tmp-Mtmp;
+      _Matrix.MooeeInv(tmp,sol_o);        assert(  sol_o.checkerboard   ==Odd);
+
+      ///////////////////////////////////////////////////
+      // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
+      ///////////////////////////////////////////////////
+      _Matrix.Meooe(sol_o,tmp);        assert(  tmp.checkerboard   ==Even);
+      src_e = src_e-tmp;               assert(  src_e.checkerboard ==Even);
+      _Matrix.MooeeInv(src_e,sol_e);   assert(  sol_e.checkerboard ==Even);
+     
+      setCheckerboard(out,sol_e); assert(  sol_e.checkerboard ==Even);
+      setCheckerboard(out,sol_o); assert(  sol_o.checkerboard ==Odd );
+
+      // Verify the unprec residual
+      if ( ! subGuess ) {
+        _Matrix.M(out,resid); 
+        resid = resid-in;
+        RealD ns = norm2(in);
+        RealD nr = norm2(resid);
+
+        std::cout << GridLogMessage << "SchurRedBlackDiagTwo solver true unprec resid " << std::sqrt(nr / ns) << " nr " << nr << " ns " << ns << std::endl;
+      } else {
+        std::cout << GridLogMessage << "Guess subtracted after solve." << std::endl;
+      }
+    }     
+  };
+
+}
+#endif

Grid/allocator/AlignedAllocator.cc

@@ -0,0 +1,125 @@
+#include <Grid/GridCore.h>
+#include <fcntl.h>
+
+namespace Grid {
+
+MemoryStats *MemoryProfiler::stats = nullptr;
+bool         MemoryProfiler::debug = false;
+
+int PointerCache::victim;
+
+PointerCache::PointerCacheEntry PointerCache::Entries[PointerCache::Ncache];
+
+void *PointerCache::Insert(void *ptr,size_t bytes) {
+
+  if (bytes < 4096 ) return ptr;
+
+#ifdef GRID_OMP
+  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;
+}
+
+
+void check_huge_pages(void *Buf,uint64_t BYTES)
+{
+#ifdef __linux__
+  int fd = open("/proc/self/pagemap", O_RDONLY);
+  assert(fd >= 0);
+  const int page_size = 4096;
+  uint64_t virt_pfn = (uint64_t)Buf / page_size;
+  off_t offset = sizeof(uint64_t) * virt_pfn;
+  uint64_t npages = (BYTES + page_size-1) / page_size;
+  uint64_t pagedata[npages];
+  uint64_t ret = lseek(fd, offset, SEEK_SET);
+  assert(ret == offset);
+  ret = ::read(fd, pagedata, sizeof(uint64_t)*npages);
+  assert(ret == sizeof(uint64_t) * npages);
+  int nhugepages = npages / 512;
+  int n4ktotal, nnothuge;
+  n4ktotal = 0;
+  nnothuge = 0;
+  for (int i = 0; i < nhugepages; ++i) {
+    uint64_t baseaddr = (pagedata[i*512] & 0x7fffffffffffffULL) * page_size;
+    for (int j = 0; j < 512; ++j) {
+      uint64_t pageaddr = (pagedata[i*512+j] & 0x7fffffffffffffULL) * page_size;
+      ++n4ktotal;
+      if (pageaddr != baseaddr + j * page_size)
+	++nnothuge;
+      }
+  }
+  int rank = CartesianCommunicator::RankWorld();
+  printf("rank %d Allocated %d 4k pages, %d not in huge pages\n", rank, n4ktotal, nnothuge);
+#endif
+}
+
+std::string sizeString(const size_t bytes)
+{
+  constexpr unsigned int bufSize = 256;
+  const char             *suffixes[7] = {"", "K", "M", "G", "T", "P", "E"};
+  char                   buf[256];
+  size_t                 s     = 0;
+  double                 count = bytes;
+  
+  while (count >= 1024 && s < 7)
+  {
+      s++;
+      count /= 1024;
+  }
+  if (count - floor(count) == 0.0)
+  {
+      snprintf(buf, bufSize, "%d %sB", (int)count, suffixes[s]);
+  }
+  else
+  {
+      snprintf(buf, bufSize, "%.1f %sB", count, suffixes[s]);
+  }
+  
+  return std::string(buf);
+}
+
+}

Grid/allocator/AlignedAllocator.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -42,9 +42,92 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 namespace Grid {
 
+  class PointerCache {
+  private:
+
+    static const int Ncache=8;
+    static int victim;
+
+    typedef struct { 
+      void *address;
+      size_t bytes;
+      int valid;
+    } PointerCacheEntry;
+    
+    static PointerCacheEntry Entries[Ncache];
+
+  public:
+
+
+    static void *Insert(void *ptr,size_t bytes) ;
+    static void *Lookup(size_t bytes) ;
+
+  };
+  
+  std::string sizeString(size_t bytes);
+
+  struct MemoryStats
+  {
+    size_t totalAllocated{0}, maxAllocated{0}, 
+           currentlyAllocated{0}, totalFreed{0};
+  };
+    
+  class MemoryProfiler
+  {
+  public:
+    static MemoryStats *stats;
+    static bool        debug;
+  };
+
+  #define memString(bytes) std::to_string(bytes) + " (" + sizeString(bytes) + ")"
+  #define profilerDebugPrint \
+  if (MemoryProfiler::stats)\
+  {\
+    auto s = MemoryProfiler::stats;\
+    std::cout << GridLogDebug << "[Memory debug] Stats " << MemoryProfiler::stats << std::endl;\
+    std::cout << GridLogDebug << "[Memory debug] total  : " << memString(s->totalAllocated) \
+              << std::endl;\
+    std::cout << GridLogDebug << "[Memory debug] max    : " << memString(s->maxAllocated) \
+              << std::endl;\
+    std::cout << GridLogDebug << "[Memory debug] current: " << memString(s->currentlyAllocated) \
+              << std::endl;\
+    std::cout << GridLogDebug << "[Memory debug] freed  : " << memString(s->totalFreed) \
+              << std::endl;\
+  }
+
+  #define profilerAllocate(bytes)\
+  if (MemoryProfiler::stats)\
+  {\
+    auto s = MemoryProfiler::stats;\
+    s->totalAllocated     += (bytes);\
+    s->currentlyAllocated += (bytes);\
+    s->maxAllocated        = std::max(s->maxAllocated, s->currentlyAllocated);\
+  }\
+  if (MemoryProfiler::debug)\
+  {\
+    std::cout << GridLogDebug << "[Memory debug] allocating " << memString(bytes) << std::endl;\
+    profilerDebugPrint;\
+  }
+
+  #define profilerFree(bytes)\
+  if (MemoryProfiler::stats)\
+  {\
+    auto s = MemoryProfiler::stats;\
+    s->totalFreed         += (bytes);\
+    s->currentlyAllocated -= (bytes);\
+  }\
+  if (MemoryProfiler::debug)\
+  {\
+    std::cout << GridLogDebug << "[Memory debug] freeing " << memString(bytes) << std::endl;\
+    profilerDebugPrint;\
+  }
+
+  void check_huge_pages(void *Buf,uint64_t BYTES);
+
 ////////////////////////////////////////////////////////////////////
 // A lattice of something, but assume the something is SIMDized.
 ////////////////////////////////////////////////////////////////////
+
 template<typename _Tp>
 class alignedAllocator {
 public: 
@@ -66,27 +149,46 @@ public:
 
   pointer allocate(size_type __n, const void* _p= 0)
   { 
-#ifdef HAVE_MM_MALLOC_H
-    _Tp * ptr = (_Tp *) _mm_malloc(__n*sizeof(_Tp),128);
-#else
-    _Tp * ptr = (_Tp *) memalign(128,__n*sizeof(_Tp));
-#endif
+    size_type bytes = __n*sizeof(_Tp);
+    profilerAllocate(bytes);
 
-    _Tp tmp;
-#ifdef GRID_NUMA
-#pragma omp parallel for schedule(static)
-  for(int i=0;i<__n;i++){
-    ptr[i]=tmp;
-  }
-#endif 
+    _Tp *ptr = (_Tp *) PointerCache::Lookup(bytes);
+    //    if ( ptr != NULL ) 
+    //      std::cout << "alignedAllocator "<<__n << " cache hit "<< std::hex << ptr <<std::dec <<std::endl;
+
+    //////////////////
+    // Hack 2MB align; could make option probably doesn't need configurability
+    //////////////////
+//define GRID_ALLOC_ALIGN (128)
+#define GRID_ALLOC_ALIGN (2*1024*1024)
+#ifdef HAVE_MM_MALLOC_H
+    if ( ptr == (_Tp *) NULL ) ptr = (_Tp *) _mm_malloc(bytes,GRID_ALLOC_ALIGN);
+#else
+    if ( ptr == (_Tp *) NULL ) ptr = (_Tp *) memalign(GRID_ALLOC_ALIGN,bytes);
+#endif
+    //    std::cout << "alignedAllocator " << std::hex << ptr <<std::dec <<std::endl;
+    // First touch optimise in threaded loop
+    uint8_t *cp = (uint8_t *)ptr;
+#ifdef GRID_OMP
+#pragma omp parallel for
+#endif
+    for(size_type n=0;n<bytes;n+=4096){
+      cp[n]=0;
+    }
     return ptr;
   }
 
-  void deallocate(pointer __p, size_type) { 
+  void deallocate(pointer __p, size_type __n) { 
+    size_type bytes = __n * sizeof(_Tp);
+
+    profilerFree(bytes);
+
+    pointer __freeme = (pointer)PointerCache::Insert((void *)__p,bytes);
+
 #ifdef HAVE_MM_MALLOC_H
-    _mm_free((void *)__p); 
+    if ( __freeme ) _mm_free((void *)__freeme); 
 #else
-    free((void *)__p);
+    if ( __freeme ) free((void *)__freeme);
 #endif
   }
   void construct(pointer __p, const _Tp& __val) { };
@@ -131,10 +233,13 @@ public:
 #ifdef GRID_COMMS_SHMEM
   pointer allocate(size_type __n, const void* _p= 0)
   {
+    size_type bytes = __n*sizeof(_Tp);
+
+    profilerAllocate(bytes);
 #ifdef CRAY
-    _Tp *ptr = (_Tp *) shmem_align(__n*sizeof(_Tp),64);
+    _Tp *ptr = (_Tp *) shmem_align(bytes,64);
 #else
-    _Tp *ptr = (_Tp *) shmem_align(64,__n*sizeof(_Tp));
+    _Tp *ptr = (_Tp *) shmem_align(64,bytes);
 #endif
 #ifdef PARANOID_SYMMETRIC_HEAP
     static void * bcast;
@@ -152,20 +257,39 @@ public:
 #endif 
     return ptr;
   }
-  void deallocate(pointer __p, size_type) { 
+  void deallocate(pointer __p, size_type __n) { 
+    size_type bytes = __n*sizeof(_Tp);
+
+    profilerFree(bytes);
     shmem_free((void *)__p);
   }
 #else
   pointer allocate(size_type __n, const void* _p= 0) 
   {
+    size_type bytes = __n*sizeof(_Tp);
+    
+    profilerAllocate(bytes);
 #ifdef HAVE_MM_MALLOC_H
-    _Tp * ptr = (_Tp *) _mm_malloc(__n*sizeof(_Tp),128);
+    _Tp * ptr = (_Tp *) _mm_malloc(bytes, GRID_ALLOC_ALIGN);
 #else
-    _Tp * ptr = (_Tp *) memalign(128,__n*sizeof(_Tp));
+    _Tp * ptr = (_Tp *) memalign(GRID_ALLOC_ALIGN, bytes);
 #endif
+    uint8_t *cp = (uint8_t *)ptr;
+    if ( ptr ) { 
+    // One touch per 4k page, static OMP loop to catch same loop order
+#ifdef GRID_OMP
+#pragma omp parallel for schedule(static)
+#endif
+      for(size_type n=0;n<bytes;n+=4096){
+	cp[n]=0;
+      }
+    }
     return ptr;
   }
-  void deallocate(pointer __p, size_type) { 
+  void deallocate(pointer __p, size_type __n) {
+    size_type bytes = __n*sizeof(_Tp);
+
+    profilerFree(bytes);
 #ifdef HAVE_MM_MALLOC_H
     _mm_free((void *)__p); 
 #else

Grid/cartesian/Cartesian_base.h

@@ -6,8 +6,9 @@
 
     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>
+    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
@@ -43,16 +44,25 @@ namespace Grid{
   class GridBase : public CartesianCommunicator , public GridThread {
 
 public:
-
+    int dummy;
     // Give Lattice access
     template<class object> friend class Lattice;
 
     GridBase(const std::vector<int> & processor_grid) : CartesianCommunicator(processor_grid) {};
+    GridBase(const std::vector<int> & processor_grid,
+	     const CartesianCommunicator &parent,
+	     int &split_rank) 
+      : CartesianCommunicator(processor_grid,parent,split_rank) {};
+    GridBase(const std::vector<int> & processor_grid,
+	     const CartesianCommunicator &parent) 
+      : CartesianCommunicator(processor_grid,parent,dummy) {};
+
+    virtual ~GridBase() = default;
 
 
     // Physics Grid information.
     std::vector<int> _simd_layout;// Which dimensions get relayed out over simd lanes.
-    std::vector<int> _fdimensions;// Global dimensions of array prior to cb removal
+    std::vector<int> _fdimensions;// (full) Global dimensions of array prior to cb removal
     std::vector<int> _gdimensions;// Global dimensions of array after cb removal
     std::vector<int> _ldimensions;// local dimensions of array with processor images removed
     std::vector<int> _rdimensions;// Reduced local dimensions with simd lane images and processor images removed 
@@ -62,13 +72,14 @@ public:
     int _isites;
     int _fsites;                  // _isites*_osites = product(dimensions).
     int _gsites;
-    std::vector<int> _slice_block;   // subslice information
+    std::vector<int> _slice_block;// subslice information
     std::vector<int> _slice_stride;
     std::vector<int> _slice_nblock;
 
-    // Might need these at some point
-    //    std::vector<int> _lstart;     // local start of array in gcoors. _processor_coor[d]*_ldimensions[d]
-    //    std::vector<int> _lend;       // local end of array in gcoors    _processor_coor[d]*_ldimensions[d]+_ldimensions_[d]-1
+    std::vector<int> _lstart;     // local start of array in gcoors _processor_coor[d]*_ldimensions[d]
+    std::vector<int> _lend  ;     // local end of array in gcoors   _processor_coor[d]*_ldimensions[d]+_ldimensions_[d]-1
+
+    bool _isCheckerBoarded; 
 
 public:
 
@@ -77,7 +88,7 @@ public:
     // GridCartesian / GridRedBlackCartesian
     ////////////////////////////////////////////////////////////////
     virtual int CheckerBoarded(int dim)=0;
-    virtual int CheckerBoard(std::vector<int> &site)=0;
+    virtual int CheckerBoard(const std::vector<int> &site)=0;
     virtual int CheckerBoardDestination(int source_cb,int shift,int dim)=0;
     virtual int CheckerBoardShift(int source_cb,int dim,int shift,int osite)=0;
     virtual int CheckerBoardShiftForCB(int source_cb,int dim,int shift,int cb)=0;
@@ -99,7 +110,7 @@ public:
     virtual int oIndex(std::vector<int> &coor)
     {
         int idx=0;
-	// Works with either global or local coordinates
+        // Works with either global or local coordinates
         for(int d=0;d<_ndimension;d++) idx+=_ostride[d]*(coor[d]%_rdimensions[d]);
         return idx;
     }
@@ -121,6 +132,11 @@ public:
       Lexicographic::CoorFromIndex(coor,Oindex,_rdimensions);
     }
 
+    inline void InOutCoorToLocalCoor (std::vector<int> &ocoor, std::vector<int> &icoor, std::vector<int> &lcoor) {
+      lcoor.resize(_ndimension);
+      for (int d = 0; d < _ndimension; d++)
+        lcoor[d] = ocoor[d] + _rdimensions[d] * icoor[d];
+    }
 
     //////////////////////////////////////////////////////////
     // SIMD lane addressing
@@ -129,6 +145,7 @@ public:
     {
       Lexicographic::CoorFromIndex(coor,lane,_simd_layout);
     }
+
     inline int PermuteDim(int dimension){
       return _simd_layout[dimension]>1;
     }
@@ -146,15 +163,15 @@ public:
       // Distance should be either 0,1,2..
       //
       if ( _simd_layout[dimension] > 2 ) { 
-	for(int d=0;d<_ndimension;d++){
-	  if ( d != dimension ) assert ( (_simd_layout[d]==1)  );
-	}
-	permute_type = RotateBit; // How to specify distance; this is not just direction.
-	return permute_type;
+        for(int d=0;d<_ndimension;d++){
+          if ( d != dimension ) assert ( (_simd_layout[d]==1)  );
+        }
+        permute_type = RotateBit; // How to specify distance; this is not just direction.
+        return permute_type;
       }
 
       for(int d=_ndimension-1;d>dimension;d--){
-	if (_simd_layout[d]>1 ) permute_type++;
+        if (_simd_layout[d]>1 ) permute_type++;
       }
       return permute_type;
     }
@@ -169,26 +186,48 @@ public:
     inline int gSites(void) const { return _isites*_osites*_Nprocessors; }; 
     inline int Nd    (void) const { return _ndimension;};
 
+    inline const std::vector<int> LocalStarts(void)             { return _lstart;    };
     inline const std::vector<int> &FullDimensions(void)         { return _fdimensions;};
     inline const std::vector<int> &GlobalDimensions(void)       { return _gdimensions;};
     inline const std::vector<int> &LocalDimensions(void)        { return _ldimensions;};
     inline const std::vector<int> &VirtualLocalDimensions(void) { return _ldimensions;};
 
+    ////////////////////////////////////////////////////////////////
+    // Utility to print the full decomposition details 
+    ////////////////////////////////////////////////////////////////
+
+    void show_decomposition(){
+      std::cout << GridLogMessage << "\tFull Dimensions    : " << _fdimensions << std::endl;
+      std::cout << GridLogMessage << "\tSIMD layout        : " << _simd_layout << std::endl;
+      std::cout << GridLogMessage << "\tGlobal Dimensions  : " << _gdimensions << std::endl;
+      std::cout << GridLogMessage << "\tLocal Dimensions   : " << _ldimensions << std::endl;
+      std::cout << GridLogMessage << "\tReduced Dimensions : " << _rdimensions << std::endl;
+      std::cout << GridLogMessage << "\tOuter strides      : " << _ostride << std::endl;
+      std::cout << GridLogMessage << "\tInner strides      : " << _istride << std::endl;
+      std::cout << GridLogMessage << "\tiSites             : " << _isites << std::endl;
+      std::cout << GridLogMessage << "\toSites             : " << _osites << std::endl;
+      std::cout << GridLogMessage << "\tlSites             : " << lSites() << std::endl;        
+      std::cout << GridLogMessage << "\tgSites             : " << gSites() << std::endl;
+      std::cout << GridLogMessage << "\tNd                 : " << _ndimension << std::endl;             
+    } 
+
     ////////////////////////////////////////////////////////////////
     // Global addressing
     ////////////////////////////////////////////////////////////////
     void GlobalIndexToGlobalCoor(int gidx,std::vector<int> &gcoor){
+      assert(gidx< gSites());
       Lexicographic::CoorFromIndex(gcoor,gidx,_gdimensions);
     }
     void LocalIndexToLocalCoor(int lidx,std::vector<int> &lcoor){
+      assert(lidx<lSites());
       Lexicographic::CoorFromIndex(lcoor,lidx,_ldimensions);
     }
     void GlobalCoorToGlobalIndex(const std::vector<int> & gcoor,int & gidx){
       gidx=0;
       int mult=1;
       for(int mu=0;mu<_ndimension;mu++) {
-	gidx+=mult*gcoor[mu];
-	mult*=_gdimensions[mu];
+        gidx+=mult*gcoor[mu];
+        mult*=_gdimensions[mu];
       }
     }
     void GlobalCoorToProcessorCoorLocalCoor(std::vector<int> &pcoor,std::vector<int> &lcoor,const std::vector<int> &gcoor)
@@ -196,9 +235,9 @@ public:
       pcoor.resize(_ndimension);
       lcoor.resize(_ndimension);
       for(int mu=0;mu<_ndimension;mu++){
-	int _fld  = _fdimensions[mu]/_processors[mu];
-	pcoor[mu] = gcoor[mu]/_fld;
-	lcoor[mu] = gcoor[mu]%_fld;
+        int _fld  = _fdimensions[mu]/_processors[mu];
+        pcoor[mu] = gcoor[mu]/_fld;
+        lcoor[mu] = gcoor[mu]%_fld;
       }
     }
     void GlobalCoorToRankIndex(int &rank, int &o_idx, int &i_idx ,const std::vector<int> &gcoor)
@@ -207,16 +246,16 @@ public:
       std::vector<int> lcoor;
       GlobalCoorToProcessorCoorLocalCoor(pcoor,lcoor,gcoor);
       rank = RankFromProcessorCoor(pcoor);
-
+      /*
       std::vector<int> cblcoor(lcoor);
       for(int d=0;d<cblcoor.size();d++){
-	if( this->CheckerBoarded(d) ) {
-	  cblcoor[d] = lcoor[d]/2;
-	}
+        if( this->CheckerBoarded(d) ) {
+          cblcoor[d] = lcoor[d]/2;
+        }
       }
-
-      i_idx= iIndex(cblcoor);// this does not imply divide by 2 on checker dim
-      o_idx= oIndex(lcoor);  // this implies divide by 2 on checkerdim
+      */
+      i_idx= iIndex(lcoor);
+      o_idx= oIndex(lcoor);
     }
 
     void RankIndexToGlobalCoor(int rank, int o_idx, int i_idx , std::vector<int> &gcoor)
@@ -238,7 +277,7 @@ public:
     {
       RankIndexToGlobalCoor(rank,o_idx,i_idx ,fcoor);
       if(CheckerBoarded(0)){
-	fcoor[0] = fcoor[0]*2+cb;
+        fcoor[0] = fcoor[0]*2+cb;
       }
     }
     void ProcessorCoorLocalCoorToGlobalCoor(std::vector<int> &Pcoor,std::vector<int> &Lcoor,std::vector<int> &gcoor)

Grid/cartesian/Cartesian_full.h

@@ -0,0 +1,174 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/cartesian/Cartesian_full.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_CARTESIAN_FULL_H
+#define GRID_CARTESIAN_FULL_H
+
+namespace Grid{
+    
+/////////////////////////////////////////////////////////////////////////////////////////
+// Grid Support.
+/////////////////////////////////////////////////////////////////////////////////////////
+
+
+class GridCartesian: public GridBase {
+
+public:
+    int dummy;
+    virtual int  CheckerBoardFromOindexTable (int Oindex) {
+      return 0;
+    }
+    virtual int  CheckerBoardFromOindex (int Oindex)
+    {
+      return 0;
+    }
+    virtual int CheckerBoarded(int dim){
+      return 0;
+    }
+    virtual int CheckerBoard(const std::vector<int> &site){
+        return 0;
+    }
+    virtual int CheckerBoardDestination(int cb,int shift,int dim){
+        return 0;
+    }
+    virtual int CheckerBoardShiftForCB(int source_cb,int dim,int shift, int ocb){
+      return shift;
+    }
+    virtual int CheckerBoardShift(int source_cb,int dim,int shift, int osite){
+      return shift;
+    }
+    /////////////////////////////////////////////////////////////////////////
+    // Constructor takes a parent grid and possibly subdivides communicator.
+    /////////////////////////////////////////////////////////////////////////
+    GridCartesian(const std::vector<int> &dimensions,
+		  const std::vector<int> &simd_layout,
+		  const std::vector<int> &processor_grid,
+		  const GridCartesian &parent) : GridBase(processor_grid,parent,dummy)
+    {
+      Init(dimensions,simd_layout,processor_grid);
+    }
+    GridCartesian(const std::vector<int> &dimensions,
+		  const std::vector<int> &simd_layout,
+		  const std::vector<int> &processor_grid,
+		  const GridCartesian &parent,int &split_rank) : GridBase(processor_grid,parent,split_rank)
+    {
+      Init(dimensions,simd_layout,processor_grid);
+    }
+    /////////////////////////////////////////////////////////////////////////
+    // Construct from comm world
+    /////////////////////////////////////////////////////////////////////////
+    GridCartesian(const std::vector<int> &dimensions,
+		  const std::vector<int> &simd_layout,
+		  const std::vector<int> &processor_grid) : GridBase(processor_grid)
+    {
+      Init(dimensions,simd_layout,processor_grid);
+    }
+
+    virtual ~GridCartesian() = default;
+
+    void Init(const std::vector<int> &dimensions,
+	      const std::vector<int> &simd_layout,
+	      const std::vector<int> &processor_grid)
+    {
+      ///////////////////////
+      // Grid information
+      ///////////////////////
+      _isCheckerBoarded = false;
+      _ndimension = dimensions.size();
+
+      _fdimensions.resize(_ndimension);
+      _gdimensions.resize(_ndimension);
+      _ldimensions.resize(_ndimension);
+      _rdimensions.resize(_ndimension);
+      _simd_layout.resize(_ndimension);
+      _lstart.resize(_ndimension);
+      _lend.resize(_ndimension);
+
+      _ostride.resize(_ndimension);
+      _istride.resize(_ndimension);
+
+      _fsites = _gsites = _osites = _isites = 1;
+
+      for (int d = 0; d < _ndimension; d++)
+      {
+        _fdimensions[d] = dimensions[d];   // Global dimensions
+        _gdimensions[d] = _fdimensions[d]; // Global dimensions
+        _simd_layout[d] = simd_layout[d];
+        _fsites = _fsites * _fdimensions[d];
+        _gsites = _gsites * _gdimensions[d];
+
+        // Use a reduced simd grid
+        _ldimensions[d] = _gdimensions[d] / _processors[d]; //local dimensions
+        //std::cout << _ldimensions[d] << "  " << _gdimensions[d] << "  " << _processors[d] << std::endl;
+        assert(_ldimensions[d] * _processors[d] == _gdimensions[d]);
+
+        _rdimensions[d] = _ldimensions[d] / _simd_layout[d]; //overdecomposition
+        assert(_rdimensions[d] * _simd_layout[d] == _ldimensions[d]);
+
+        _lstart[d] = _processor_coor[d] * _ldimensions[d];
+        _lend[d] = _processor_coor[d] * _ldimensions[d] + _ldimensions[d] - 1;
+        _osites *= _rdimensions[d];
+        _isites *= _simd_layout[d];
+
+        // Addressing support
+        if (d == 0)
+        {
+          _ostride[d] = 1;
+          _istride[d] = 1;
+        }
+        else
+        {
+          _ostride[d] = _ostride[d - 1] * _rdimensions[d - 1];
+          _istride[d] = _istride[d - 1] * _simd_layout[d - 1];
+        }
+      }
+
+      ///////////////////////
+      // subplane information
+      ///////////////////////
+      _slice_block.resize(_ndimension);
+      _slice_stride.resize(_ndimension);
+      _slice_nblock.resize(_ndimension);
+
+      int block = 1;
+      int nblock = 1;
+      for (int d = 0; d < _ndimension; d++)
+        nblock *= _rdimensions[d];
+
+      for (int d = 0; d < _ndimension; d++)
+      {
+        nblock /= _rdimensions[d];
+        _slice_block[d] = block;
+        _slice_stride[d] = _ostride[d] * _rdimensions[d];
+        _slice_nblock[d] = nblock;
+        block = block * _rdimensions[d];
+      }
+    };
+
+};
+}
+#endif

Grid/cartesian/Cartesian_red_black.h

@@ -49,7 +49,7 @@ public:
       if( dim==_checker_dim) return 1;
       else return 0;
     }
-    virtual int CheckerBoard(std::vector<int> &site){
+    virtual int CheckerBoard(const std::vector<int> &site){
       int linear=0;
       assert(site.size()==_ndimension);
       for(int d=0;d<_ndimension;d++){ 
@@ -112,151 +112,209 @@ public:
       }
     };
 
-    GridRedBlackCartesian(const GridBase *base) : GridRedBlackCartesian(base->_fdimensions,base->_simd_layout,base->_processors)  {};
+    ////////////////////////////////////////////////////////////
+    // Create Redblack from original grid; require full grid pointer ?
+    ////////////////////////////////////////////////////////////
+    GridRedBlackCartesian(const GridBase *base) : GridBase(base->_processors,*base)
+    {
+      int dims = base->_ndimension;
+      std::vector<int> checker_dim_mask(dims,1);
+      int checker_dim = 0;
+      Init(base->_fdimensions,base->_simd_layout,base->_processors,checker_dim_mask,checker_dim);
+    };
 
-    GridRedBlackCartesian(const std::vector<int> &dimensions,
+    ////////////////////////////////////////////////////////////
+    // Create redblack from original grid, with non-trivial checker dim mask
+    ////////////////////////////////////////////////////////////
+    GridRedBlackCartesian(const GridBase *base,
+			  const std::vector<int> &checker_dim_mask,
+			  int checker_dim
+			  ) :  GridBase(base->_processors,*base) 
+    {
+      Init(base->_fdimensions,base->_simd_layout,base->_processors,checker_dim_mask,checker_dim)  ;
+    }
+
+    virtual ~GridRedBlackCartesian() = default;
+#if 0
+    ////////////////////////////////////////////////////////////
+    // Create redblack grid ;; deprecate these. Should not
+    // need direct creation of redblack without a full grid to base on
+    ////////////////////////////////////////////////////////////
+    GridRedBlackCartesian(const GridBase *base,
+			  const std::vector<int> &dimensions,
 			  const std::vector<int> &simd_layout,
 			  const std::vector<int> &processor_grid,
 			  const std::vector<int> &checker_dim_mask,
 			  int checker_dim
-			  ) :  GridBase(processor_grid) 
+			  ) :  GridBase(processor_grid,*base) 
     {
       Init(dimensions,simd_layout,processor_grid,checker_dim_mask,checker_dim);
     }
-    GridRedBlackCartesian(const std::vector<int> &dimensions,
+
+    ////////////////////////////////////////////////////////////
+    // Create redblack grid
+    ////////////////////////////////////////////////////////////
+    GridRedBlackCartesian(const GridBase *base,
+			  const std::vector<int> &dimensions,
 			  const std::vector<int> &simd_layout,
-			  const std::vector<int> &processor_grid) : GridBase(processor_grid) 
+			  const std::vector<int> &processor_grid) : GridBase(processor_grid,*base) 
     {
       std::vector<int> checker_dim_mask(dimensions.size(),1);
-      Init(dimensions,simd_layout,processor_grid,checker_dim_mask,0);
+      int checker_dim = 0;
+      Init(dimensions,simd_layout,processor_grid,checker_dim_mask,checker_dim);
     }
+#endif
+
     void Init(const std::vector<int> &dimensions,
-	      const std::vector<int> &simd_layout,
-	      const std::vector<int> &processor_grid,
-	      const std::vector<int> &checker_dim_mask,
-	      int checker_dim)
+              const std::vector<int> &simd_layout,
+              const std::vector<int> &processor_grid,
+              const std::vector<int> &checker_dim_mask,
+              int checker_dim)
     {
-    ///////////////////////
-    // Grid information
-    ///////////////////////
+
+      _isCheckerBoarded = true;
       _checker_dim = checker_dim;
-      assert(checker_dim_mask[checker_dim]==1);
+      assert(checker_dim_mask[checker_dim] == 1);
       _ndimension = dimensions.size();
-      assert(checker_dim_mask.size()==_ndimension);
-      assert(processor_grid.size()==_ndimension);
-      assert(simd_layout.size()==_ndimension);
-      
+      assert(checker_dim_mask.size() == _ndimension);
+      assert(processor_grid.size() == _ndimension);
+      assert(simd_layout.size() == _ndimension);
+
       _fdimensions.resize(_ndimension);
       _gdimensions.resize(_ndimension);
       _ldimensions.resize(_ndimension);
       _rdimensions.resize(_ndimension);
       _simd_layout.resize(_ndimension);
-      
+      _lstart.resize(_ndimension);
+      _lend.resize(_ndimension);
+
       _ostride.resize(_ndimension);
       _istride.resize(_ndimension);
-      
+
       _fsites = _gsites = _osites = _isites = 1;
-	
-      _checker_dim_mask=checker_dim_mask;
 
-      for(int d=0;d<_ndimension;d++){
-	_fdimensions[d] = dimensions[d];
-	_gdimensions[d] = _fdimensions[d];
-	_fsites = _fsites * _fdimensions[d];
-	_gsites = _gsites * _gdimensions[d];
-        
-	if (d==_checker_dim) {
-	  _gdimensions[d] = _gdimensions[d]/2; // Remove a checkerboard
-	}
-	_ldimensions[d] = _gdimensions[d]/_processors[d];
+      _checker_dim_mask = checker_dim_mask;
 
-	// Use a reduced simd grid
-	_simd_layout[d] = simd_layout[d];
-	_rdimensions[d]= _ldimensions[d]/_simd_layout[d];
-	assert(_rdimensions[d]>0);
+      for (int d = 0; d < _ndimension; d++)
+      {
+        _fdimensions[d] = dimensions[d];
+        _gdimensions[d] = _fdimensions[d];
+        _fsites = _fsites * _fdimensions[d];
+        _gsites = _gsites * _gdimensions[d];
 
-	// all elements of a simd vector must have same checkerboard.
-	// If Ls vectorised, this must still be the case; e.g. dwf rb5d
-	if ( _simd_layout[d]>1 ) {
-	  if ( checker_dim_mask[d] ) { 
-	    assert( (_rdimensions[d]&0x1) == 0 );
-	  }
-	}
+        if (d == _checker_dim)
+        {
+          assert((_gdimensions[d] & 0x1) == 0);
+          _gdimensions[d] = _gdimensions[d] / 2; // Remove a checkerboard
+	  _gsites /= 2;
+        }
+        _ldimensions[d] = _gdimensions[d] / _processors[d];
+        assert(_ldimensions[d] * _processors[d] == _gdimensions[d]);
+        _lstart[d] = _processor_coor[d] * _ldimensions[d];
+        _lend[d] = _processor_coor[d] * _ldimensions[d] + _ldimensions[d] - 1;
 
-	_osites *= _rdimensions[d];
-	_isites *= _simd_layout[d];
-        
-	// Addressing support
-	if ( d==0 ) {
-	  _ostride[d] = 1;
-	  _istride[d] = 1;
-	} else {
-	  _ostride[d] = _ostride[d-1]*_rdimensions[d-1];
-	  _istride[d] = _istride[d-1]*_simd_layout[d-1];
-	}
+        // Use a reduced simd grid
+        _simd_layout[d] = simd_layout[d];
+        _rdimensions[d] = _ldimensions[d] / _simd_layout[d]; // this is not checking if this is integer
+        assert(_rdimensions[d] * _simd_layout[d] == _ldimensions[d]);
+        assert(_rdimensions[d] > 0);
 
+        // all elements of a simd vector must have same checkerboard.
+        // If Ls vectorised, this must still be the case; e.g. dwf rb5d
+        if (_simd_layout[d] > 1)
+        {
+          if (checker_dim_mask[d])
+          {
+            assert((_rdimensions[d] & 0x1) == 0);
+          }
+        }
 
+        _osites *= _rdimensions[d];
+        _isites *= _simd_layout[d];
+
+        // Addressing support
+        if (d == 0)
+        {
+          _ostride[d] = 1;
+          _istride[d] = 1;
+        }
+        else
+        {
+          _ostride[d] = _ostride[d - 1] * _rdimensions[d - 1];
+          _istride[d] = _istride[d - 1] * _simd_layout[d - 1];
+        }
       }
-            
+
       ////////////////////////////////////////////////////////////////////////////////////////////
       // subplane information
       ////////////////////////////////////////////////////////////////////////////////////////////
       _slice_block.resize(_ndimension);
       _slice_stride.resize(_ndimension);
       _slice_nblock.resize(_ndimension);
-        
-      int block =1;
-      int nblock=1;
-      for(int d=0;d<_ndimension;d++) nblock*=_rdimensions[d];
-      
-      for(int d=0;d<_ndimension;d++){
-	nblock/=_rdimensions[d];
-	_slice_block[d] =block;
-	_slice_stride[d]=_ostride[d]*_rdimensions[d];
-	_slice_nblock[d]=nblock;
-	block = block*_rdimensions[d];
+
+      int block = 1;
+      int nblock = 1;
+      for (int d = 0; d < _ndimension; d++)
+        nblock *= _rdimensions[d];
+
+      for (int d = 0; d < _ndimension; d++)
+      {
+        nblock /= _rdimensions[d];
+        _slice_block[d] = block;
+        _slice_stride[d] = _ostride[d] * _rdimensions[d];
+        _slice_nblock[d] = nblock;
+        block = block * _rdimensions[d];
       }
 
       ////////////////////////////////////////////////
       // Create a checkerboard lookup table
       ////////////////////////////////////////////////
       int rvol = 1;
-      for(int d=0;d<_ndimension;d++){
-	rvol=rvol * _rdimensions[d];
+      for (int d = 0; d < _ndimension; d++)
+      {
+        rvol = rvol * _rdimensions[d];
       }
       _checker_board.resize(rvol);
-      for(int osite=0;osite<_osites;osite++){
-	_checker_board[osite] = CheckerBoardFromOindex (osite);
+      for (int osite = 0; osite < _osites; osite++)
+      {
+        _checker_board[osite] = CheckerBoardFromOindex(osite);
       }
-      
     };
-protected:
+
+  protected:
     virtual int oIndex(std::vector<int> &coor)
     {
-      int idx=0;
-      for(int d=0;d<_ndimension;d++) {
-	if( d==_checker_dim ) {
-	  idx+=_ostride[d]*((coor[d]/2)%_rdimensions[d]);
-	} else {
-	  idx+=_ostride[d]*(coor[d]%_rdimensions[d]);
-	}
+      int idx = 0;
+      for (int d = 0; d < _ndimension; d++)
+      {
+        if (d == _checker_dim)
+        {
+          idx += _ostride[d] * ((coor[d] / 2) % _rdimensions[d]);
+        }
+        else
+        {
+          idx += _ostride[d] * (coor[d] % _rdimensions[d]);
+        }
       }
       return idx;
     };
-        
+
     virtual int iIndex(std::vector<int> &lcoor)
     {
-        int idx=0;
-        for(int d=0;d<_ndimension;d++) {
-	  if( d==_checker_dim ) {
-	    idx+=_istride[d]*(lcoor[d]/(2*_rdimensions[d]));
-	  } else { 
-	    idx+=_istride[d]*(lcoor[d]/_rdimensions[d]);
-	  }
-	}
-        return idx;
+      int idx = 0;
+      for (int d = 0; d < _ndimension; d++)
+      {
+        if (d == _checker_dim)
+        {
+          idx += _istride[d] * (lcoor[d] / (2 * _rdimensions[d]));
+        }
+        else
+        {
+          idx += _istride[d] * (lcoor[d] / _rdimensions[d]);
+        }
+      }
+      return idx;
     }
 };
-
 }
 #endif

Grid/communicator/Communicator.h

@@ -28,6 +28,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #ifndef GRID_COMMUNICATOR_H
 #define GRID_COMMUNICATOR_H
 
+#include <Grid/communicator/SharedMemory.h>
 #include <Grid/communicator/Communicator_base.h>
 
 #endif

Grid/communicator/Communicator_base.cc

@@ -25,39 +25,25 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#include "Grid.h"
+#include <Grid/GridCore.h>
+#include <fcntl.h>
+#include <unistd.h>
+#include <limits.h>
+#include <sys/mman.h>
+
 namespace Grid {
 
 ///////////////////////////////////////////////////////////////
 // Info that is setup once and indept of cartesian layout
 ///////////////////////////////////////////////////////////////
-void *              CartesianCommunicator::ShmCommBuf;
-uint64_t            CartesianCommunicator::MAX_MPI_SHM_BYTES   = 128*1024*1024; 
-
-/////////////////////////////////
-// Alloc, free shmem region
-/////////////////////////////////
-void *CartesianCommunicator::ShmBufferMalloc(size_t bytes){
-  //  bytes = (bytes+sizeof(vRealD))&(~(sizeof(vRealD)-1));// align up bytes
-  void *ptr = (void *)heap_top;
-  heap_top  += bytes;
-  heap_bytes+= bytes;
-  if (heap_bytes >= MAX_MPI_SHM_BYTES) {
-    std::cout<< " ShmBufferMalloc exceeded shared heap size -- try increasing with --shm <MB> flag" <<std::endl;
-    std::cout<< " Parameter specified in units of MB (megabytes) " <<std::endl;
-    std::cout<< " Current value is " << (MAX_MPI_SHM_BYTES/(1024*1024)) <<std::endl;
-    assert(heap_bytes<MAX_MPI_SHM_BYTES);
-  }
-  return ptr;
-}
-void CartesianCommunicator::ShmBufferFreeAll(void) { 
-  heap_top  =(size_t)ShmBufferSelf();
-  heap_bytes=0;
-}
+CartesianCommunicator::CommunicatorPolicy_t  
+CartesianCommunicator::CommunicatorPolicy= CartesianCommunicator::CommunicatorPolicyConcurrent;
+int CartesianCommunicator::nCommThreads = -1;
 
 /////////////////////////////////
 // Grid information queries
 /////////////////////////////////
+int                      CartesianCommunicator::Dimensions(void)        { return _ndimension; };
 int                      CartesianCommunicator::IsBoss(void)            { return _processor==0; };
 int                      CartesianCommunicator::BossRank(void)          { return 0; };
 int                      CartesianCommunicator::ThisRank(void)          { return _processor; };
@@ -85,40 +71,6 @@ void CartesianCommunicator::GlobalSumVector(ComplexD *c,int N)
 {
   GlobalSumVector((double *)c,2*N);
 }
-
-#if !defined( GRID_COMMS_MPI3) && !defined (GRID_COMMS_MPI3L)
-
-void CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
-						       void *xmit,
-						       int xmit_to_rank,
-						       void *recv,
-						       int recv_from_rank,
-						       int bytes)
-{
-  SendToRecvFromBegin(list,xmit,xmit_to_rank,recv,recv_from_rank,bytes);
-}
-void CartesianCommunicator::StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &waitall)
-{
-  SendToRecvFromComplete(waitall);
-}
-void CartesianCommunicator::StencilBarrier(void){};
-
-commVector<uint8_t> CartesianCommunicator::ShmBufStorageVector;
-
-void *CartesianCommunicator::ShmBufferSelf(void) { return ShmCommBuf; }
-
-void *CartesianCommunicator::ShmBuffer(int rank) {
-  return NULL;
-}
-void *CartesianCommunicator::ShmBufferTranslate(int rank,void * local_p) { 
-  return NULL;
-}
-void CartesianCommunicator::ShmInitGeneric(void){
-  ShmBufStorageVector.resize(MAX_MPI_SHM_BYTES);
-  ShmCommBuf=(void *)&ShmBufStorageVector[0];
-}
-
-#endif
   
 }
 

Grid/communicator/Communicator_base.h

@@ -32,108 +32,57 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 ///////////////////////////////////
 // Processor layout information
 ///////////////////////////////////
-#ifdef GRID_COMMS_MPI
-#include <mpi.h>
-#endif
-#ifdef GRID_COMMS_MPI3
-#include <mpi.h>
-#endif
-#ifdef GRID_COMMS_MPI3L
-#include <mpi.h>
-#endif
-#ifdef GRID_COMMS_SHMEM
-#include <mpp/shmem.h>
-#endif
+#include <Grid/communicator/SharedMemory.h>
 
 namespace Grid {
 
-class CartesianCommunicator {
-  public:    
+class CartesianCommunicator : public SharedMemory {
 
-  // 65536 ranks per node adequate for now
-  // 128MB shared memory for comms enought for 48^4 local vol comms
-  // Give external control (command line override?) of this
+public:    
 
-  static const int      MAXLOG2RANKSPERNODE = 16;            
-  static uint64_t MAX_MPI_SHM_BYTES;
+  ////////////////////////////////////////////
+  // Policies
+  ////////////////////////////////////////////
+  enum CommunicatorPolicy_t { CommunicatorPolicyConcurrent, CommunicatorPolicySequential };
+  static CommunicatorPolicy_t CommunicatorPolicy;
+  static void SetCommunicatorPolicy(CommunicatorPolicy_t policy ) { CommunicatorPolicy = policy; }
+  static int       nCommThreads;
 
+  ////////////////////////////////////////////
   // Communicator should know nothing of the physics grid, only processor grid.
+  ////////////////////////////////////////////
   int              _Nprocessors;     // How many in all
   std::vector<int> _processors;      // Which dimensions get relayed out over processors lanes.
   int              _processor;       // linear processor rank
   std::vector<int> _processor_coor;  // linear processor coordinate
-  unsigned long _ndimension;
-
-#if defined (GRID_COMMS_MPI) || defined (GRID_COMMS_MPI3) || defined (GRID_COMMS_MPI3L)
-  static MPI_Comm communicator_world;
-         MPI_Comm communicator;
-  typedef MPI_Request CommsRequest_t;
-#else 
-  typedef int CommsRequest_t;
-#endif
-
-  ////////////////////////////////////////////////////////////////////
-  // Helper functionality for SHM Windows common to all other impls
-  ////////////////////////////////////////////////////////////////////
-  // Longer term; drop this in favour of a master / slave model with 
-  // cartesian communicator on a subset of ranks, slave ranks controlled
-  // by group leader with data xfer via shared memory
-  ////////////////////////////////////////////////////////////////////
-#ifdef GRID_COMMS_MPI3
-
-  static int ShmRank;
-  static int ShmSize;
-  static int GroupRank;
-  static int GroupSize;
-  static int WorldRank;
-  static int WorldSize;
-
-  std::vector<int>  WorldDims;
-  std::vector<int>  GroupDims;
-  std::vector<int>  ShmDims;
-  
-  std::vector<int> GroupCoor;
-  std::vector<int> ShmCoor;
-  std::vector<int> WorldCoor;
-
-  static std::vector<int> GroupRanks; 
-  static std::vector<int> MyGroup;
-  static int ShmSetup;
-  static MPI_Win ShmWindow; 
-  static MPI_Comm ShmComm;
-  
-  std::vector<int>  LexicographicToWorldRank;
-  
-  static std::vector<void *> ShmCommBufs;
-
-#else 
-  static void ShmInitGeneric(void);
-  static commVector<uint8_t> ShmBufStorageVector;
-#endif 
-
-  /////////////////////////////////
-  // Grid information and queries
-  // Implemented in Communicator_base.C
-  /////////////////////////////////
-  static void * ShmCommBuf;
-  size_t heap_top;
-  size_t heap_bytes;
-
-  void *ShmBufferSelf(void);
-  void *ShmBuffer(int rank);
-  void *ShmBufferTranslate(int rank,void * local_p);
-  void *ShmBufferMalloc(size_t bytes);
-  void ShmBufferFreeAll(void) ;
+  unsigned long    _ndimension;
+  static Grid_MPI_Comm      communicator_world;
+  Grid_MPI_Comm             communicator;
+  std::vector<Grid_MPI_Comm> communicator_halo;
   
   ////////////////////////////////////////////////
   // Must call in Grid startup
   ////////////////////////////////////////////////
   static void Init(int *argc, char ***argv);
-  
+
   ////////////////////////////////////////////////
-  // Constructor of any given grid
+  // Constructors to sub-divide a parent communicator
+  // and default to comm world
   ////////////////////////////////////////////////
+  CartesianCommunicator(const std::vector<int> &processors,const CartesianCommunicator &parent,int &srank);
   CartesianCommunicator(const std::vector<int> &pdimensions_in);
+  virtual ~CartesianCommunicator();
+
+ private:
+
+  ////////////////////////////////////////////////
+  // Private initialise from an MPI communicator
+  // Can use after an MPI_Comm_split, but hidden from user so private
+  ////////////////////////////////////////////////
+  void InitFromMPICommunicator(const std::vector<int> &processors, Grid_MPI_Comm communicator_base);
+
+ public:
+
   
   ////////////////////////////////////////////////////////////////////////////////////////
   // Wraps MPI_Cart routines, or implements equivalent on other impls
@@ -142,6 +91,7 @@ class CartesianCommunicator {
   int  RankFromProcessorCoor(std::vector<int> &coor);
   void ProcessorCoorFromRank(int rank,std::vector<int> &coor);
   
+  int                      Dimensions(void)        ;
   int                      IsBoss(void)            ;
   int                      BossRank(void)          ;
   int                      ThisRank(void)          ;
@@ -168,6 +118,8 @@ class CartesianCommunicator {
   void GlobalSumVector(ComplexF *c,int N);
   void GlobalSum(ComplexD &c);
   void GlobalSumVector(ComplexD *c,int N);
+  void GlobalXOR(uint32_t &);
+  void GlobalXOR(uint64_t &);
   
   template<class obj> void GlobalSum(obj &o){
     typedef typename obj::scalar_type scalar_type;
@@ -200,14 +152,21 @@ class CartesianCommunicator {
   
   void SendToRecvFromComplete(std::vector<CommsRequest_t> &waitall);
 
-  void StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
-				  void *xmit,
-				  int xmit_to_rank,
-				  void *recv,
-				  int recv_from_rank,
-				  int bytes);
+  double StencilSendToRecvFrom(void *xmit,
+			       int xmit_to_rank,
+			       void *recv,
+			       int recv_from_rank,
+			       int bytes,int dir);
+
+  double StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
+				    void *xmit,
+				    int xmit_to_rank,
+				    void *recv,
+				    int recv_from_rank,
+				    int bytes,int dir);
   
-  void StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &waitall);
+  
+  void StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &waitall,int i);
   void StencilBarrier(void);
 
   ////////////////////////////////////////////////////////////
@@ -219,6 +178,23 @@ class CartesianCommunicator {
   // Broadcast a buffer and composite larger
   ////////////////////////////////////////////////////////////
   void Broadcast(int root,void* data, int bytes);
+
+  ////////////////////////////////////////////////////////////
+  // All2All down one dimension
+  ////////////////////////////////////////////////////////////
+  template<class T> void AllToAll(int dim,std::vector<T> &in, std::vector<T> &out){
+    assert(dim>=0);
+    assert(dim<_ndimension);
+    assert(in.size()==out.size());
+    int numnode = _processors[dim];
+    uint64_t bytes=sizeof(T);
+    uint64_t words=in.size()/numnode;
+    assert(numnode * words == in.size());
+    assert(words < (1ULL<<31));
+    AllToAll(dim,(void *)&in[0],(void *)&out[0],words,bytes);
+  }
+  void AllToAll(int dim  ,void *in,void *out,uint64_t words,uint64_t bytes);
+  void AllToAll(void  *in,void *out,uint64_t words         ,uint64_t bytes);
   
   template<class obj> void Broadcast(int root,obj &data)
     {

Grid/communicator/Communicator_mpi3.cc

@@ -0,0 +1,514 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/communicator/Communicator_mpi.cc
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/GridCore.h>
+#include <Grid/communicator/SharedMemory.h>
+
+namespace Grid {
+
+Grid_MPI_Comm       CartesianCommunicator::communicator_world;
+
+////////////////////////////////////////////
+// First initialise of comms system
+////////////////////////////////////////////
+void CartesianCommunicator::Init(int *argc, char ***argv) 
+{
+
+  int flag;
+  int provided;
+
+  MPI_Initialized(&flag); // needed to coexist with other libs apparently
+  if ( !flag ) {
+    MPI_Init_thread(argc,argv,MPI_THREAD_MULTIPLE,&provided);
+    //If only 1 comms thread we require any threading mode other than SINGLE, but for multiple comms threads we need MULTIPLE
+    if( (nCommThreads == 1 && provided == MPI_THREAD_SINGLE) ||
+        (nCommThreads > 1 && provided != MPI_THREAD_MULTIPLE) )
+      assert(0);
+  }
+
+  Grid_quiesce_nodes();
+
+  // Never clean up as done once.
+  MPI_Comm_dup (MPI_COMM_WORLD,&communicator_world);
+
+  GlobalSharedMemory::Init(communicator_world);
+  GlobalSharedMemory::SharedMemoryAllocate(
+		   GlobalSharedMemory::MAX_MPI_SHM_BYTES,
+		   GlobalSharedMemory::Hugepages);
+}
+
+///////////////////////////////////////////////////////////////////////////
+// Use cartesian communicators now even in MPI3
+///////////////////////////////////////////////////////////////////////////
+void CartesianCommunicator::ShiftedRanks(int dim,int shift,int &source,int &dest)
+{
+  int ierr=MPI_Cart_shift(communicator,dim,shift,&source,&dest);
+  assert(ierr==0);
+}
+int CartesianCommunicator::RankFromProcessorCoor(std::vector<int> &coor)
+{
+  int rank;
+  int ierr=MPI_Cart_rank  (communicator, &coor[0], &rank);
+  assert(ierr==0);
+  return rank;
+}
+void  CartesianCommunicator::ProcessorCoorFromRank(int rank, std::vector<int> &coor)
+{
+  coor.resize(_ndimension);
+  int ierr=MPI_Cart_coords  (communicator, rank, _ndimension,&coor[0]);
+  assert(ierr==0);
+}
+
+////////////////////////////////////////////////////////////////////////////////////////////////////////
+// Initialises from communicator_world
+////////////////////////////////////////////////////////////////////////////////////////////////////////
+CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors) 
+{
+  MPI_Comm optimal_comm;
+  ////////////////////////////////////////////////////
+  // Remap using the shared memory optimising routine
+  // The remap creates a comm which must be freed
+  ////////////////////////////////////////////////////
+  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm);
+  InitFromMPICommunicator(processors,optimal_comm);
+  SetCommunicator(optimal_comm);
+  ///////////////////////////////////////////////////
+  // Free the temp communicator
+  ///////////////////////////////////////////////////
+  MPI_Comm_free(&optimal_comm);
+}
+
+//////////////////////////////////
+// Try to subdivide communicator
+//////////////////////////////////
+CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,const CartesianCommunicator &parent,int &srank)    
+{
+  _ndimension = processors.size();
+
+  int parent_ndimension = parent._ndimension; assert(_ndimension >= parent._ndimension);
+  std::vector<int> parent_processor_coor(_ndimension,0);
+  std::vector<int> parent_processors    (_ndimension,1);
+
+  // Can make 5d grid from 4d etc...
+  int pad = _ndimension-parent_ndimension;
+  for(int d=0;d<parent_ndimension;d++){
+    parent_processor_coor[pad+d]=parent._processor_coor[d];
+    parent_processors    [pad+d]=parent._processors[d];
+  }
+
+  //////////////////////////////////////////////////////////////////////////////////////////////////////
+  // split the communicator
+  //////////////////////////////////////////////////////////////////////////////////////////////////////
+  //  int Nparent = parent._processors ; 
+  //  std::cout << " splitting from communicator "<<parent.communicator <<std::endl;
+  int Nparent;
+  MPI_Comm_size(parent.communicator,&Nparent);
+  //  std::cout << " Parent size  "<<Nparent <<std::endl;
+
+  int childsize=1;
+  for(int d=0;d<processors.size();d++) {
+    childsize *= processors[d];
+  }
+  int Nchild = Nparent/childsize;
+  assert (childsize * Nchild == Nparent);
+
+  //  std::cout << " child size  "<<childsize <<std::endl;
+
+  std::vector<int> ccoor(_ndimension); // coor within subcommunicator
+  std::vector<int> scoor(_ndimension); // coor of split within parent
+  std::vector<int> ssize(_ndimension); // coor of split within parent
+
+  for(int d=0;d<_ndimension;d++){
+    ccoor[d] = parent_processor_coor[d] % processors[d];
+    scoor[d] = parent_processor_coor[d] / processors[d];
+    ssize[d] = parent_processors[d]     / processors[d];
+  }
+
+  // rank within subcomm ; srank is rank of subcomm within blocks of subcomms
+  int crank;  
+  // Mpi uses the reverse Lexico convention to us; so reversed routines called
+  Lexicographic::IndexFromCoorReversed(ccoor,crank,processors); // processors is the split grid dimensions
+  Lexicographic::IndexFromCoorReversed(scoor,srank,ssize);      // ssize is the number of split grids
+
+  MPI_Comm comm_split;
+  if ( Nchild > 1 ) { 
+
+    if(0){
+      std::cout << GridLogMessage<<"Child communicator of "<< std::hex << parent.communicator << std::dec<<std::endl;
+      std::cout << GridLogMessage<<" parent grid["<< parent._ndimension<<"]    ";
+      for(int d=0;d<parent._ndimension;d++)  std::cout << parent._processors[d] << " ";
+      std::cout<<std::endl;
+      
+      std::cout << GridLogMessage<<" child grid["<< _ndimension <<"]    ";
+      for(int d=0;d<processors.size();d++)  std::cout << processors[d] << " ";
+      std::cout<<std::endl;
+      
+      std::cout << GridLogMessage<<" old rank "<< parent._processor<<" coor ["<< parent._ndimension <<"]    ";
+      for(int d=0;d<parent._ndimension;d++)  std::cout << parent._processor_coor[d] << " ";
+      std::cout<<std::endl;
+      
+      std::cout << GridLogMessage<<" new split "<< srank<<" scoor ["<< _ndimension <<"]    ";
+      for(int d=0;d<processors.size();d++)  std::cout << scoor[d] << " ";
+      std::cout<<std::endl;
+      
+      std::cout << GridLogMessage<<" new rank "<< crank<<" coor ["<< _ndimension <<"]    ";
+      for(int d=0;d<processors.size();d++)  std::cout << ccoor[d] << " ";
+      std::cout<<std::endl;
+
+      //////////////////////////////////////////////////////////////////////////////////////////////////////
+      // Declare victory
+      //////////////////////////////////////////////////////////////////////////////////////////////////////
+      std::cout << GridLogMessage<<"Divided communicator "<< parent._Nprocessors<<" into "
+		<< Nchild <<" communicators with " << childsize << " ranks"<<std::endl;
+      std::cout << " Split communicator " <<comm_split <<std::endl;
+    }
+
+    ////////////////////////////////////////////////////////////////
+    // Split the communicator
+    ////////////////////////////////////////////////////////////////
+    int ierr= MPI_Comm_split(parent.communicator,srank,crank,&comm_split);
+    assert(ierr==0);
+
+  } else {
+    srank = 0;
+    int ierr = MPI_Comm_dup (parent.communicator,&comm_split);
+    assert(ierr==0);
+  }
+
+  //////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Set up from the new split communicator
+  //////////////////////////////////////////////////////////////////////////////////////////////////////
+  InitFromMPICommunicator(processors,comm_split);
+
+  //////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Take the right SHM buffers
+  //////////////////////////////////////////////////////////////////////////////////////////////////////
+  SetCommunicator(comm_split);
+  
+  ///////////////////////////////////////////////
+  // Free the temp communicator 
+  ///////////////////////////////////////////////
+  MPI_Comm_free(&comm_split);
+
+  if(0){ 
+    std::cout << " ndim " <<_ndimension<<" " << parent._ndimension << std::endl;
+    for(int d=0;d<processors.size();d++){
+      std::cout << d<< " " << _processor_coor[d] <<" " <<  ccoor[d]<<std::endl;
+    }
+  }
+  for(int d=0;d<processors.size();d++){
+    assert(_processor_coor[d] == ccoor[d] );
+  }
+}
+
+void CartesianCommunicator::InitFromMPICommunicator(const std::vector<int> &processors, MPI_Comm communicator_base)
+{
+  ////////////////////////////////////////////////////
+  // Creates communicator, and the communicator_halo
+  ////////////////////////////////////////////////////
+  _ndimension = processors.size();
+  _processor_coor.resize(_ndimension);
+
+  /////////////////////////////////
+  // Count the requested nodes
+  /////////////////////////////////
+  _Nprocessors=1;
+  _processors = processors;
+  for(int i=0;i<_ndimension;i++){
+    _Nprocessors*=_processors[i];
+  }
+
+  std::vector<int> periodic(_ndimension,1);
+  MPI_Cart_create(communicator_base, _ndimension,&_processors[0],&periodic[0],0,&communicator);
+  MPI_Comm_rank(communicator,&_processor);
+  MPI_Cart_coords(communicator,_processor,_ndimension,&_processor_coor[0]);
+
+  if ( 0 && (communicator_base != communicator_world) ) {
+    std::cout << "InitFromMPICommunicator Cartesian communicator created with a non-world communicator"<<std::endl;
+    std::cout << " new communicator rank "<<_processor<< " coor ["<<_ndimension<<"] ";
+    for(int d=0;d<_processors.size();d++){
+      std::cout << _processor_coor[d]<<" ";
+    }
+    std::cout << std::endl;
+  }
+
+  int Size;
+  MPI_Comm_size(communicator,&Size);
+
+  communicator_halo.resize (2*_ndimension);
+  for(int i=0;i<_ndimension*2;i++){
+    MPI_Comm_dup(communicator,&communicator_halo[i]);
+  }
+  assert(Size==_Nprocessors);
+}
+
+CartesianCommunicator::~CartesianCommunicator()
+{
+  int MPI_is_finalised;
+  MPI_Finalized(&MPI_is_finalised);
+  if (communicator && !MPI_is_finalised) {
+    MPI_Comm_free(&communicator);
+    for(int i=0;i<communicator_halo.size();i++){
+      MPI_Comm_free(&communicator_halo[i]);
+    }
+  }  
+}
+void CartesianCommunicator::GlobalSum(uint32_t &u){
+  int ierr=MPI_Allreduce(MPI_IN_PLACE,&u,1,MPI_UINT32_T,MPI_SUM,communicator);
+  assert(ierr==0);
+}
+void CartesianCommunicator::GlobalSum(uint64_t &u){
+  int ierr=MPI_Allreduce(MPI_IN_PLACE,&u,1,MPI_UINT64_T,MPI_SUM,communicator);
+  assert(ierr==0);
+}
+void CartesianCommunicator::GlobalXOR(uint32_t &u){
+  int ierr=MPI_Allreduce(MPI_IN_PLACE,&u,1,MPI_UINT32_T,MPI_BXOR,communicator);
+  assert(ierr==0);
+}
+void CartesianCommunicator::GlobalXOR(uint64_t &u){
+  int ierr=MPI_Allreduce(MPI_IN_PLACE,&u,1,MPI_UINT64_T,MPI_BXOR,communicator);
+  assert(ierr==0);
+}
+void CartesianCommunicator::GlobalSum(float &f){
+  int ierr=MPI_Allreduce(MPI_IN_PLACE,&f,1,MPI_FLOAT,MPI_SUM,communicator);
+  assert(ierr==0);
+}
+void CartesianCommunicator::GlobalSumVector(float *f,int N)
+{
+  int ierr=MPI_Allreduce(MPI_IN_PLACE,f,N,MPI_FLOAT,MPI_SUM,communicator);
+  assert(ierr==0);
+}
+void CartesianCommunicator::GlobalSum(double &d)
+{
+  int ierr = MPI_Allreduce(MPI_IN_PLACE,&d,1,MPI_DOUBLE,MPI_SUM,communicator);
+  assert(ierr==0);
+}
+void CartesianCommunicator::GlobalSumVector(double *d,int N)
+{
+  int ierr = MPI_Allreduce(MPI_IN_PLACE,d,N,MPI_DOUBLE,MPI_SUM,communicator);
+  assert(ierr==0);
+}
+// Basic Halo comms primitive
+void CartesianCommunicator::SendToRecvFrom(void *xmit,
+					   int dest,
+					   void *recv,
+					   int from,
+					   int bytes)
+{
+  std::vector<CommsRequest_t> reqs(0);
+  //    unsigned long  xcrc = crc32(0L, Z_NULL, 0);
+  //    unsigned long  rcrc = crc32(0L, Z_NULL, 0);
+  //    xcrc = crc32(xcrc,(unsigned char *)xmit,bytes);
+  SendToRecvFromBegin(reqs,xmit,dest,recv,from,bytes);
+  SendToRecvFromComplete(reqs);
+  //    rcrc = crc32(rcrc,(unsigned char *)recv,bytes);
+  //    printf("proc %d SendToRecvFrom %d bytes %lx %lx\n",_processor,bytes,xcrc,rcrc);
+}
+void CartesianCommunicator::SendRecvPacket(void *xmit,
+					   void *recv,
+					   int sender,
+					   int receiver,
+					   int bytes)
+{
+  MPI_Status stat;
+  assert(sender != receiver);
+  int tag = sender;
+  if ( _processor == sender ) {
+    MPI_Send(xmit, bytes, MPI_CHAR,receiver,tag,communicator);
+  }
+  if ( _processor == receiver ) { 
+    MPI_Recv(recv, bytes, MPI_CHAR,sender,tag,communicator,&stat);
+  }
+}
+// Basic Halo comms primitive
+void CartesianCommunicator::SendToRecvFromBegin(std::vector<CommsRequest_t> &list,
+						void *xmit,
+						int dest,
+						void *recv,
+						int from,
+						int bytes)
+{
+  int myrank = _processor;
+  int ierr;
+
+  if ( CommunicatorPolicy == CommunicatorPolicyConcurrent ) { 
+    MPI_Request xrq;
+    MPI_Request rrq;
+
+    ierr =MPI_Irecv(recv, bytes, MPI_CHAR,from,from,communicator,&rrq);
+    ierr|=MPI_Isend(xmit, bytes, MPI_CHAR,dest,_processor,communicator,&xrq);
+    
+    assert(ierr==0);
+    list.push_back(xrq);
+    list.push_back(rrq);
+  } else { 
+    // Give the CPU to MPI immediately; can use threads to overlap optionally
+    ierr=MPI_Sendrecv(xmit,bytes,MPI_CHAR,dest,myrank,
+		      recv,bytes,MPI_CHAR,from, from,
+		      communicator,MPI_STATUS_IGNORE);
+    assert(ierr==0);
+  }
+}
+
+double CartesianCommunicator::StencilSendToRecvFrom( void *xmit,
+						     int dest,
+						     void *recv,
+						     int from,
+						     int bytes,int dir)
+{
+  std::vector<CommsRequest_t> list;
+  double offbytes = StencilSendToRecvFromBegin(list,xmit,dest,recv,from,bytes,dir);
+  StencilSendToRecvFromComplete(list,dir);
+  return offbytes;
+}
+
+double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
+							 void *xmit,
+							 int dest,
+							 void *recv,
+							 int from,
+							 int bytes,int dir)
+{
+  int ncomm  =communicator_halo.size(); 
+  int commdir=dir%ncomm;
+
+  MPI_Request xrq;
+  MPI_Request rrq;
+
+  int ierr;
+  int gdest = ShmRanks[dest];
+  int gfrom = ShmRanks[from];
+  int gme   = ShmRanks[_processor];
+
+  assert(dest != _processor);
+  assert(from != _processor);
+  assert(gme  == ShmRank);
+  double off_node_bytes=0.0;
+
+  if ( gfrom ==MPI_UNDEFINED) {
+    ierr=MPI_Irecv(recv, bytes, MPI_CHAR,from,from,communicator_halo[commdir],&rrq);
+    assert(ierr==0);
+    list.push_back(rrq);
+    off_node_bytes+=bytes;
+  }
+
+  if ( gdest == MPI_UNDEFINED ) {
+    ierr =MPI_Isend(xmit, bytes, MPI_CHAR,dest,_processor,communicator_halo[commdir],&xrq);
+    assert(ierr==0);
+    list.push_back(xrq);
+    off_node_bytes+=bytes;
+  }
+
+  if ( CommunicatorPolicy == CommunicatorPolicySequential ) { 
+    this->StencilSendToRecvFromComplete(list,dir);
+  }
+
+  return off_node_bytes;
+}
+void CartesianCommunicator::StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &waitall,int dir)
+{
+  SendToRecvFromComplete(waitall);
+}
+void CartesianCommunicator::StencilBarrier(void)
+{
+  MPI_Barrier  (ShmComm);
+}
+void CartesianCommunicator::SendToRecvFromComplete(std::vector<CommsRequest_t> &list)
+{
+  int nreq=list.size();
+
+  if (nreq==0) return;
+
+  std::vector<MPI_Status> status(nreq);
+  int ierr = MPI_Waitall(nreq,&list[0],&status[0]);
+  assert(ierr==0);
+  list.resize(0);
+}
+void CartesianCommunicator::Barrier(void)
+{
+  int ierr = MPI_Barrier(communicator);
+  assert(ierr==0);
+}
+void CartesianCommunicator::Broadcast(int root,void* data, int bytes)
+{
+  int ierr=MPI_Bcast(data,
+		     bytes,
+		     MPI_BYTE,
+		     root,
+		     communicator);
+  assert(ierr==0);
+}
+int CartesianCommunicator::RankWorld(void){ 
+  int r; 
+  MPI_Comm_rank(communicator_world,&r);
+  return r;
+}
+void CartesianCommunicator::BroadcastWorld(int root,void* data, int bytes)
+{
+  int ierr= MPI_Bcast(data,
+		      bytes,
+		      MPI_BYTE,
+		      root,
+		      communicator_world);
+  assert(ierr==0);
+}
+
+void CartesianCommunicator::AllToAll(int dim,void  *in,void *out,uint64_t words,uint64_t bytes)
+{
+  std::vector<int> row(_ndimension,1);
+  assert(dim>=0 && dim<_ndimension);
+
+  //  Split the communicator
+  row[dim] = _processors[dim];
+
+  int me;
+  CartesianCommunicator Comm(row,*this,me);
+  Comm.AllToAll(in,out,words,bytes);
+}
+void CartesianCommunicator::AllToAll(void  *in,void *out,uint64_t words,uint64_t bytes)
+{
+  // MPI is a pain and uses "int" arguments
+  // 64*64*64*128*16 == 500Million elements of data.
+  // When 24*4 bytes multiples get 50x 10^9 >>> 2x10^9 Y2K bug.
+  // (Turns up on 32^3 x 64 Gparity too)
+  MPI_Datatype object;
+  int iwords; 
+  int ibytes;
+  iwords = words;
+  ibytes = bytes;
+  assert(words == iwords); // safe to cast to int ?
+  assert(bytes == ibytes); // safe to cast to int ?
+  MPI_Type_contiguous(ibytes,MPI_BYTE,&object);
+  MPI_Type_commit(&object);
+  MPI_Alltoall(in,iwords,object,out,iwords,object,communicator);
+  MPI_Type_free(&object);
+}
+
+
+
+}
+

Grid/communicator/Communicator_none.cc

@@ -25,16 +25,28 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#include "Grid.h"
+#include <Grid/GridCore.h>
+
 namespace Grid {
 
 ///////////////////////////////////////////////////////////////////////////////////////////////////
 // Info that is setup once and indept of cartesian layout
 ///////////////////////////////////////////////////////////////////////////////////////////////////
+Grid_MPI_Comm       CartesianCommunicator::communicator_world;
 
 void CartesianCommunicator::Init(int *argc, char *** arv)
 {
-  ShmInitGeneric();
+  GlobalSharedMemory::Init(communicator_world);
+  GlobalSharedMemory::SharedMemoryAllocate(
+		   GlobalSharedMemory::MAX_MPI_SHM_BYTES,
+		   GlobalSharedMemory::Hugepages);
+}
+
+CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,const CartesianCommunicator &parent,int &srank) 
+  : CartesianCommunicator(processors) 
+{
+  srank=0;
+  SetCommunicator(communicator_world);
 }
 
 CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors)
@@ -50,14 +62,19 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors)
     assert(_processors[d]==1);
     _processor_coor[d] = 0;
   }
+  SetCommunicator(communicator_world);
 }
 
+CartesianCommunicator::~CartesianCommunicator(){}
+
 void CartesianCommunicator::GlobalSum(float &){}
 void CartesianCommunicator::GlobalSumVector(float *,int N){}
 void CartesianCommunicator::GlobalSum(double &){}
 void CartesianCommunicator::GlobalSum(uint32_t &){}
 void CartesianCommunicator::GlobalSum(uint64_t &){}
 void CartesianCommunicator::GlobalSumVector(double *,int N){}
+void CartesianCommunicator::GlobalXOR(uint32_t &){}
+void CartesianCommunicator::GlobalXOR(uint64_t &){}
 
 void CartesianCommunicator::SendRecvPacket(void *xmit,
 					   void *recv,
@@ -87,23 +104,62 @@ void CartesianCommunicator::SendToRecvFromBegin(std::vector<CommsRequest_t> &lis
 {
   assert(0);
 }
+
 void CartesianCommunicator::SendToRecvFromComplete(std::vector<CommsRequest_t> &list)
 {
   assert(0);
 }
+void CartesianCommunicator::AllToAll(int dim,void  *in,void *out,uint64_t words,uint64_t bytes)
+{
+  bcopy(in,out,bytes*words);
+}
+void CartesianCommunicator::AllToAll(void  *in,void *out,uint64_t words,uint64_t bytes)
+{
+  bcopy(in,out,bytes*words);
+}
 
 int  CartesianCommunicator::RankWorld(void){return 0;}
 void CartesianCommunicator::Barrier(void){}
 void CartesianCommunicator::Broadcast(int root,void* data, int bytes) {}
 void CartesianCommunicator::BroadcastWorld(int root,void* data, int bytes) { }
 int  CartesianCommunicator::RankFromProcessorCoor(std::vector<int> &coor) {  return 0;}
-void CartesianCommunicator::ProcessorCoorFromRank(int rank, std::vector<int> &coor){ coor = _processor_coor ;}
+void CartesianCommunicator::ProcessorCoorFromRank(int rank, std::vector<int> &coor){  coor = _processor_coor; }
 void CartesianCommunicator::ShiftedRanks(int dim,int shift,int &source,int &dest)
 {
   source =0;
   dest=0;
 }
 
+double CartesianCommunicator::StencilSendToRecvFrom( void *xmit,
+						     int xmit_to_rank,
+						     void *recv,
+						     int recv_from_rank,
+						     int bytes, int dir)
+{
+  std::vector<CommsRequest_t> list;
+  // Discard the "dir"
+  SendToRecvFromBegin   (list,xmit,xmit_to_rank,recv,recv_from_rank,bytes);
+  SendToRecvFromComplete(list);
+  return 2.0*bytes;
+}
+double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
+							 void *xmit,
+							 int xmit_to_rank,
+							 void *recv,
+							 int recv_from_rank,
+							 int bytes, int dir)
+{
+  // Discard the "dir"
+  SendToRecvFromBegin(list,xmit,xmit_to_rank,recv,recv_from_rank,bytes);
+  return 2.0*bytes;
+}
+void CartesianCommunicator::StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &waitall,int dir)
+{
+  SendToRecvFromComplete(waitall);
+}
+
+void CartesianCommunicator::StencilBarrier(void){};
+
 
 }
 

Grid/communicator/SharedMemory.cc

@@ -0,0 +1,92 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/communicator/SharedMemory.cc
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#include <Grid/GridCore.h>
+
+namespace Grid { 
+
+// static data
+
+uint64_t            GlobalSharedMemory::MAX_MPI_SHM_BYTES   = 1024LL*1024LL*1024LL; 
+int                 GlobalSharedMemory::Hugepages = 0;
+int                 GlobalSharedMemory::_ShmSetup;
+int                 GlobalSharedMemory::_ShmAlloc;
+uint64_t            GlobalSharedMemory::_ShmAllocBytes;
+
+std::vector<void *> GlobalSharedMemory::WorldShmCommBufs;
+
+Grid_MPI_Comm       GlobalSharedMemory::WorldShmComm;
+int                 GlobalSharedMemory::WorldShmRank;
+int                 GlobalSharedMemory::WorldShmSize;
+std::vector<int>    GlobalSharedMemory::WorldShmRanks;
+
+Grid_MPI_Comm       GlobalSharedMemory::WorldComm;
+int                 GlobalSharedMemory::WorldSize;
+int                 GlobalSharedMemory::WorldRank;
+
+int                 GlobalSharedMemory::WorldNodes;
+int                 GlobalSharedMemory::WorldNode;
+
+void GlobalSharedMemory::SharedMemoryFree(void)
+{
+  assert(_ShmAlloc);
+  assert(_ShmAllocBytes>0);
+  for(int r=0;r<WorldShmSize;r++){
+    munmap(WorldShmCommBufs[r],_ShmAllocBytes);
+  }
+  _ShmAlloc = 0;
+  _ShmAllocBytes = 0;
+}
+/////////////////////////////////
+// Alloc, free shmem region
+/////////////////////////////////
+void *SharedMemory::ShmBufferMalloc(size_t bytes){
+  //  bytes = (bytes+sizeof(vRealD))&(~(sizeof(vRealD)-1));// align up bytes
+  void *ptr = (void *)heap_top;
+  heap_top  += bytes;
+  heap_bytes+= bytes;
+  if (heap_bytes >= heap_size) {
+    std::cout<< " ShmBufferMalloc exceeded shared heap size -- try increasing with --shm <MB> flag" <<std::endl;
+    std::cout<< " Parameter specified in units of MB (megabytes) " <<std::endl;
+    std::cout<< " Current value is " << (heap_size/(1024*1024)) <<std::endl;
+    assert(heap_bytes<heap_size);
+  }
+  return ptr;
+}
+void SharedMemory::ShmBufferFreeAll(void) { 
+  heap_top  =(size_t)ShmBufferSelf();
+  heap_bytes=0;
+}
+void *SharedMemory::ShmBufferSelf(void)
+{
+  return ShmCommBufs[ShmRank];
+}
+
+
+
+}

Grid/communicator/SharedMemory.h

@@ -0,0 +1,165 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/communicator/SharedMemory.cc
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+
+// TODO
+// 1) move includes into SharedMemory.cc
+//
+// 2) split shared memory into a) optimal communicator creation from comm world
+// 
+//                             b) shared memory buffers container
+//                                -- static globally shared; init once
+//                                -- per instance set of buffers.
+//                                   
+
+#pragma once 
+
+#include <Grid/GridCore.h>
+
+#if defined (GRID_COMMS_MPI3) 
+#include <mpi.h>
+#endif 
+#include <semaphore.h>
+#include <fcntl.h>
+#include <unistd.h>
+#include <limits.h>
+#include <sys/types.h>
+#include <sys/ipc.h>
+#include <sys/shm.h>
+#include <sys/mman.h>
+#include <zlib.h>
+#ifdef HAVE_NUMAIF_H
+#include <numaif.h>
+#endif
+
+namespace Grid {
+
+#if defined (GRID_COMMS_MPI3) 
+  typedef MPI_Comm    Grid_MPI_Comm;
+  typedef MPI_Request CommsRequest_t;
+#else 
+  typedef int CommsRequest_t;
+  typedef int Grid_MPI_Comm;
+#endif
+
+class GlobalSharedMemory {
+ private:
+  static const int     MAXLOG2RANKSPERNODE = 16;            
+
+  // Init once lock on the buffer allocation
+  static int      _ShmSetup;
+  static int      _ShmAlloc;
+  static uint64_t _ShmAllocBytes;
+
+ public:
+  static int      ShmSetup(void)      { return _ShmSetup; }
+  static int      ShmAlloc(void)      { return _ShmAlloc; }
+  static uint64_t ShmAllocBytes(void) { return _ShmAllocBytes; }
+  static uint64_t      MAX_MPI_SHM_BYTES;
+  static int           Hugepages;
+
+  static std::vector<void *> WorldShmCommBufs;
+
+  static Grid_MPI_Comm WorldComm;
+  static int           WorldRank;
+  static int           WorldSize;
+
+  static Grid_MPI_Comm WorldShmComm;
+  static int           WorldShmRank;
+  static int           WorldShmSize;
+
+  static int           WorldNodes;
+  static int           WorldNode;
+
+  static std::vector<int>  WorldShmRanks;
+
+  //////////////////////////////////////////////////////////////////////////////////////
+  // Create an optimal reordered communicator that makes MPI_Cart_create get it right
+  //////////////////////////////////////////////////////////////////////////////////////
+  static void Init(Grid_MPI_Comm comm); // Typically MPI_COMM_WORLD
+  static void OptimalCommunicator(const std::vector<int> &processors,Grid_MPI_Comm & optimal_comm);  // Turns MPI_COMM_WORLD into right layout for Cartesian
+  ///////////////////////////////////////////////////
+  // Provide shared memory facilities off comm world
+  ///////////////////////////////////////////////////
+  static void SharedMemoryAllocate(uint64_t bytes, int flags);
+  static void SharedMemoryFree(void);
+
+};
+
+//////////////////////////////
+// one per communicator
+//////////////////////////////
+class SharedMemory 
+{
+ private:
+  static const int     MAXLOG2RANKSPERNODE = 16;            
+
+  size_t heap_top;
+  size_t heap_bytes;
+  size_t heap_size;
+
+ protected:
+
+  Grid_MPI_Comm    ShmComm; // for barriers
+  int    ShmRank; 
+  int    ShmSize;
+  std::vector<void *> ShmCommBufs;
+  std::vector<int>    ShmRanks;// Mapping comm ranks to Shm ranks
+
+ public:
+  SharedMemory() {};
+  ~SharedMemory();
+  ///////////////////////////////////////////////////////////////////////////////////////
+  // set the buffers & sizes
+  ///////////////////////////////////////////////////////////////////////////////////////
+  void SetCommunicator(Grid_MPI_Comm comm);
+
+  ////////////////////////////////////////////////////////////////////////
+  // For this instance ; disjoint buffer sets between splits if split grid
+  ////////////////////////////////////////////////////////////////////////
+  void ShmBarrier(void); 
+
+  ///////////////////////////////////////////////////
+  // Call on any instance
+  ///////////////////////////////////////////////////
+  void SharedMemoryTest(void);
+  void *ShmBufferSelf(void);
+  void *ShmBuffer    (int rank);
+  void *ShmBufferTranslate(int rank,void * local_p);
+  void *ShmBufferMalloc(size_t bytes);
+  void  ShmBufferFreeAll(void) ;
+  
+  //////////////////////////////////////////////////////////////////////////
+  // Make info on Nodes & ranks and Shared memory available
+  //////////////////////////////////////////////////////////////////////////
+  int NodeCount(void) { return GlobalSharedMemory::WorldNodes;};
+  int RankCount(void) { return GlobalSharedMemory::WorldSize;};
+
+};
+
+}

Grid/communicator/SharedMemoryMPI.cc

@@ -0,0 +1,651 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/communicator/SharedMemory.cc
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#include <Grid/GridCore.h>
+#include <pwd.h>
+
+namespace Grid { 
+
+/*Construct from an MPI communicator*/
+void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
+{
+  assert(_ShmSetup==0);
+  WorldComm = comm;
+  MPI_Comm_rank(WorldComm,&WorldRank);
+  MPI_Comm_size(WorldComm,&WorldSize);
+  // WorldComm, WorldSize, WorldRank
+
+  /////////////////////////////////////////////////////////////////////
+  // Split into groups that can share memory
+  /////////////////////////////////////////////////////////////////////
+  MPI_Comm_split_type(comm, MPI_COMM_TYPE_SHARED, 0, MPI_INFO_NULL,&WorldShmComm);
+  MPI_Comm_rank(WorldShmComm     ,&WorldShmRank);
+  MPI_Comm_size(WorldShmComm     ,&WorldShmSize);
+  // WorldShmComm, WorldShmSize, WorldShmRank
+
+  // WorldNodes
+  WorldNodes = WorldSize/WorldShmSize;
+  assert( (WorldNodes * WorldShmSize) == WorldSize );
+
+  // FIXME: Check all WorldShmSize are the same ?
+
+  /////////////////////////////////////////////////////////////////////
+  // find world ranks in our SHM group (i.e. which ranks are on our node)
+  /////////////////////////////////////////////////////////////////////
+  MPI_Group WorldGroup, ShmGroup;
+  MPI_Comm_group (WorldComm, &WorldGroup); 
+  MPI_Comm_group (WorldShmComm, &ShmGroup);
+
+  std::vector<int> world_ranks(WorldSize);   for(int r=0;r<WorldSize;r++) world_ranks[r]=r;
+
+  WorldShmRanks.resize(WorldSize); 
+  MPI_Group_translate_ranks (WorldGroup,WorldSize,&world_ranks[0],ShmGroup, &WorldShmRanks[0]); 
+
+  ///////////////////////////////////////////////////////////////////
+  // Identify who is in my group and nominate the leader
+  ///////////////////////////////////////////////////////////////////
+  int g=0;
+  std::vector<int> MyGroup;
+  MyGroup.resize(WorldShmSize);
+  for(int rank=0;rank<WorldSize;rank++){
+    if(WorldShmRanks[rank]!=MPI_UNDEFINED){
+      assert(g<WorldShmSize);
+      MyGroup[g++] = rank;
+    }
+  }
+  
+  std::sort(MyGroup.begin(),MyGroup.end(),std::less<int>());
+  int myleader = MyGroup[0];
+  
+  std::vector<int> leaders_1hot(WorldSize,0);
+  std::vector<int> leaders_group(WorldNodes,0);
+  leaders_1hot [ myleader ] = 1;
+    
+  ///////////////////////////////////////////////////////////////////
+  // global sum leaders over comm world
+  ///////////////////////////////////////////////////////////////////
+  int ierr=MPI_Allreduce(MPI_IN_PLACE,&leaders_1hot[0],WorldSize,MPI_INT,MPI_SUM,WorldComm);
+  assert(ierr==0);
+
+  ///////////////////////////////////////////////////////////////////
+  // find the group leaders world rank
+  ///////////////////////////////////////////////////////////////////
+  int group=0;
+  for(int l=0;l<WorldSize;l++){
+    if(leaders_1hot[l]){
+      leaders_group[group++] = l;
+    }
+  }
+
+  ///////////////////////////////////////////////////////////////////
+  // Identify the node of the group in which I (and my leader) live
+  ///////////////////////////////////////////////////////////////////
+  WorldNode=-1;
+  for(int g=0;g<WorldNodes;g++){
+    if (myleader == leaders_group[g]){
+      WorldNode=g;
+    }
+  }
+  assert(WorldNode!=-1);
+  _ShmSetup=1;
+}
+// Gray encode support 
+int BinaryToGray (int  binary) {
+  int gray = (binary>>1)^binary;
+  return gray;
+}
+int Log2Size(int TwoToPower,int MAXLOG2)
+{
+  int log2size = -1;
+  for(int i=0;i<=MAXLOG2;i++){
+    if ( (0x1<<i) == TwoToPower ) {
+      log2size = i;
+      break;
+    }
+  }
+  return log2size;
+}
+void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,Grid_MPI_Comm & optimal_comm)
+{
+#ifdef HYPERCUBE
+  ////////////////////////////////////////////////////////////////
+  // Assert power of two shm_size.
+  ////////////////////////////////////////////////////////////////
+  int log2size = Log2Size(WorldShmSize,MAXLOG2RANKSPERNODE);
+  assert(log2size != -1);
+
+  ////////////////////////////////////////////////////////////////
+  // Identify the hypercube coordinate of this node using hostname
+  ////////////////////////////////////////////////////////////////
+  // n runs 0...7 9...16 18...25 27...34     (8*4)  5 bits
+  // i runs 0..7                                    3 bits
+  // r runs 0..3                                    2 bits
+  // 2^10 = 1024 nodes
+  const int maxhdim = 10; 
+  std::vector<int> HyperCubeCoords(maxhdim,0);
+  std::vector<int> RootHyperCubeCoords(maxhdim,0);
+  int R;
+  int I;
+  int N;
+  const int namelen = _POSIX_HOST_NAME_MAX;
+  char name[namelen];
+
+  // Parse ICE-XA hostname to get hypercube location
+  gethostname(name,namelen);
+  int nscan = sscanf(name,"r%di%dn%d",&R,&I,&N) ;
+  assert(nscan==3);
+
+  int nlo = N%9;
+  int nhi = N/9;
+  uint32_t hypercoor = (R<<8)|(I<<5)|(nhi<<3)|nlo ;
+  uint32_t rootcoor  = hypercoor;
+
+  //////////////////////////////////////////////////////////////////
+  // Print debug info
+  //////////////////////////////////////////////////////////////////
+  for(int d=0;d<maxhdim;d++){
+    HyperCubeCoords[d] = (hypercoor>>d)&0x1;
+  }
+
+  std::string hname(name);
+  std::cout << "hostname "<<hname<<std::endl;
+  std::cout << "R " << R << " I " << I << " N "<< N
+            << " hypercoor 0x"<<std::hex<<hypercoor<<std::dec<<std::endl;
+
+  //////////////////////////////////////////////////////////////////
+  // broadcast node 0's base coordinate for this partition.
+  //////////////////////////////////////////////////////////////////
+  MPI_Bcast(&rootcoor, sizeof(rootcoor), MPI_BYTE, 0, WorldComm); 
+  hypercoor=hypercoor-rootcoor;
+  assert(hypercoor<WorldSize);
+  assert(hypercoor>=0);
+
+  //////////////////////////////////////
+  // Printing
+  //////////////////////////////////////
+  for(int d=0;d<maxhdim;d++){
+    HyperCubeCoords[d] = (hypercoor>>d)&0x1;
+  }
+
+  ////////////////////////////////////////////////////////////////
+  // Identify subblock of ranks on node spreading across dims
+  // in a maximally symmetrical way
+  ////////////////////////////////////////////////////////////////
+  int ndimension              = processors.size();
+  std::vector<int> processor_coor(ndimension);
+  std::vector<int> WorldDims = processors;   std::vector<int> ShmDims  (ndimension,1);  std::vector<int> NodeDims (ndimension);
+  std::vector<int> ShmCoor  (ndimension);    std::vector<int> NodeCoor (ndimension);    std::vector<int> WorldCoor(ndimension);
+  std::vector<int> HyperCoor(ndimension);
+  int dim = 0;
+  for(int l2=0;l2<log2size;l2++){
+    while ( (WorldDims[dim] / ShmDims[dim]) <= 1 ) dim=(dim+1)%ndimension;
+    ShmDims[dim]*=2;
+    dim=(dim+1)%ndimension;
+  }
+
+  ////////////////////////////////////////////////////////////////
+  // Establish torus of processes and nodes with sub-blockings
+  ////////////////////////////////////////////////////////////////
+  for(int d=0;d<ndimension;d++){
+    NodeDims[d] = WorldDims[d]/ShmDims[d];
+  }
+  ////////////////////////////////////////////////////////////////
+  // Map Hcube according to physical lattice 
+  // must partition. Loop over dims and find out who would join.
+  ////////////////////////////////////////////////////////////////
+  int hcoor = hypercoor;
+  for(int d=0;d<ndimension;d++){
+     int bits = Log2Size(NodeDims[d],MAXLOG2RANKSPERNODE);
+     int msk  = (0x1<<bits)-1;
+     HyperCoor[d]=hcoor & msk;  
+     HyperCoor[d]=BinaryToGray(HyperCoor[d]); // Space filling curve magic
+     hcoor = hcoor >> bits;
+  } 
+  ////////////////////////////////////////////////////////////////
+  // Check processor counts match
+  ////////////////////////////////////////////////////////////////
+  int Nprocessors=1;
+  for(int i=0;i<ndimension;i++){
+    Nprocessors*=processors[i];
+  }
+  assert(WorldSize==Nprocessors);
+
+  ////////////////////////////////////////////////////////////////
+  // Establish mapping between lexico physics coord and WorldRank
+  ////////////////////////////////////////////////////////////////
+  int rank;
+
+  Lexicographic::CoorFromIndexReversed(NodeCoor,WorldNode   ,NodeDims);
+
+  for(int d=0;d<ndimension;d++) NodeCoor[d]=HyperCoor[d];
+
+  Lexicographic::CoorFromIndexReversed(ShmCoor ,WorldShmRank,ShmDims);
+  for(int d=0;d<ndimension;d++) WorldCoor[d] = NodeCoor[d]*ShmDims[d]+ShmCoor[d];
+  Lexicographic::IndexFromCoorReversed(WorldCoor,rank,WorldDims);
+
+  /////////////////////////////////////////////////////////////////
+  // Build the new communicator
+  /////////////////////////////////////////////////////////////////
+  int ierr= MPI_Comm_split(WorldComm,0,rank,&optimal_comm);
+  assert(ierr==0);
+#else 
+  ////////////////////////////////////////////////////////////////
+  // Assert power of two shm_size.
+  ////////////////////////////////////////////////////////////////
+  int log2size = Log2Size(WorldShmSize,MAXLOG2RANKSPERNODE);
+  assert(log2size != -1);
+
+  ////////////////////////////////////////////////////////////////
+  // Identify subblock of ranks on node spreading across dims
+  // in a maximally symmetrical way
+  ////////////////////////////////////////////////////////////////
+  int ndimension              = processors.size();
+  std::vector<int> processor_coor(ndimension);
+  std::vector<int> WorldDims = processors;   std::vector<int> ShmDims  (ndimension,1);  std::vector<int> NodeDims (ndimension);
+  std::vector<int> ShmCoor  (ndimension);    std::vector<int> NodeCoor (ndimension);    std::vector<int> WorldCoor(ndimension);
+  int dim = 0;
+  for(int l2=0;l2<log2size;l2++){
+    while ( (WorldDims[dim] / ShmDims[dim]) <= 1 ) dim=(dim+1)%ndimension;
+    ShmDims[dim]*=2;
+    dim=(dim+1)%ndimension;
+  }
+
+  ////////////////////////////////////////////////////////////////
+  // Establish torus of processes and nodes with sub-blockings
+  ////////////////////////////////////////////////////////////////
+  for(int d=0;d<ndimension;d++){
+    NodeDims[d] = WorldDims[d]/ShmDims[d];
+  }
+
+  ////////////////////////////////////////////////////////////////
+  // Check processor counts match
+  ////////////////////////////////////////////////////////////////
+  int Nprocessors=1;
+  for(int i=0;i<ndimension;i++){
+    Nprocessors*=processors[i];
+  }
+  assert(WorldSize==Nprocessors);
+
+  ////////////////////////////////////////////////////////////////
+  // Establish mapping between lexico physics coord and WorldRank
+  ////////////////////////////////////////////////////////////////
+  int rank;
+
+  Lexicographic::CoorFromIndexReversed(NodeCoor,WorldNode   ,NodeDims);
+  Lexicographic::CoorFromIndexReversed(ShmCoor ,WorldShmRank,ShmDims);
+  for(int d=0;d<ndimension;d++) WorldCoor[d] = NodeCoor[d]*ShmDims[d]+ShmCoor[d];
+  Lexicographic::IndexFromCoorReversed(WorldCoor,rank,WorldDims);
+
+  /////////////////////////////////////////////////////////////////
+  // Build the new communicator
+  /////////////////////////////////////////////////////////////////
+  int ierr= MPI_Comm_split(WorldComm,0,rank,&optimal_comm);
+  assert(ierr==0);
+#endif
+}
+////////////////////////////////////////////////////////////////////////////////////////////
+// SHMGET
+////////////////////////////////////////////////////////////////////////////////////////////
+#ifdef GRID_MPI3_SHMGET
+void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
+{
+  std::cout << "SharedMemoryAllocate "<< bytes<< " shmget implementation "<<std::endl;
+  assert(_ShmSetup==1);
+  assert(_ShmAlloc==0);
+
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // allocate the shared windows for our group
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  MPI_Barrier(WorldShmComm);
+  WorldShmCommBufs.resize(WorldShmSize);
+  std::vector<int> shmids(WorldShmSize);
+
+  if ( WorldShmRank == 0 ) {
+    for(int r=0;r<WorldShmSize;r++){
+      size_t size = bytes;
+      key_t key   = IPC_PRIVATE;
+      int flags = IPC_CREAT | SHM_R | SHM_W;
+#ifdef SHM_HUGETLB
+      if (Hugepages) flags|=SHM_HUGETLB;
+#endif
+      if ((shmids[r]= shmget(key,size, flags)) ==-1) {
+        int errsv = errno;
+        printf("Errno %d\n",errsv);
+        printf("key   %d\n",key);
+        printf("size  %lld\n",size);
+        printf("flags %d\n",flags);
+        perror("shmget");
+        exit(1);
+      }
+    }
+  }
+  MPI_Barrier(WorldShmComm);
+  MPI_Bcast(&shmids[0],WorldShmSize*sizeof(int),MPI_BYTE,0,WorldShmComm);
+  MPI_Barrier(WorldShmComm);
+
+  for(int r=0;r<WorldShmSize;r++){
+    WorldShmCommBufs[r] = (uint64_t *)shmat(shmids[r], NULL,0);
+    if (WorldShmCommBufs[r] == (uint64_t *)-1) {
+      perror("Shared memory attach failure");
+      shmctl(shmids[r], IPC_RMID, NULL);
+      exit(2);
+    }
+  }
+  MPI_Barrier(WorldShmComm);
+  ///////////////////////////////////
+  // Mark for clean up
+  ///////////////////////////////////
+  for(int r=0;r<WorldShmSize;r++){
+    shmctl(shmids[r], IPC_RMID,(struct shmid_ds *)NULL);
+  }
+  MPI_Barrier(WorldShmComm);
+
+  _ShmAlloc=1;
+  _ShmAllocBytes  = bytes;
+}
+#endif
+ 
+////////////////////////////////////////////////////////////////////////////////////////////
+// Hugetlbfs mapping intended
+////////////////////////////////////////////////////////////////////////////////////////////
+#ifdef GRID_MPI3_SHMMMAP
+void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
+{
+  std::cout << "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<< GRID_SHM_PATH <<std::endl;
+  assert(_ShmSetup==1);
+  assert(_ShmAlloc==0);
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // allocate the shared windows for our group
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  MPI_Barrier(WorldShmComm);
+  WorldShmCommBufs.resize(WorldShmSize);
+  
+  ////////////////////////////////////////////////////////////////////////////////////////////
+  // Hugetlbfs and others map filesystems as mappable huge pages
+  ////////////////////////////////////////////////////////////////////////////////////////////
+  char shm_name [NAME_MAX];
+  for(int r=0;r<WorldShmSize;r++){
+    
+    sprintf(shm_name,GRID_SHM_PATH "/Grid_mpi3_shm_%d_%d",WorldNode,r);
+    int fd=open(shm_name,O_RDWR|O_CREAT,0666);
+    if ( fd == -1) { 
+      printf("open %s failed\n",shm_name);
+      perror("open hugetlbfs");
+      exit(0);
+    }
+    int mmap_flag = MAP_SHARED ;
+#ifdef MAP_POPULATE    
+    mmap_flag|=MAP_POPULATE;
+#endif
+#ifdef MAP_HUGETLB
+    if ( flags ) mmap_flag |= MAP_HUGETLB;
+#endif
+    void *ptr = (void *) mmap(NULL, bytes, PROT_READ | PROT_WRITE, mmap_flag,fd, 0); 
+    if ( ptr == (void *)MAP_FAILED ) {    
+      printf("mmap %s failed\n",shm_name);
+      perror("failed mmap");      assert(0);    
+    }
+    assert(((uint64_t)ptr&0x3F)==0);
+    close(fd);
+    WorldShmCommBufs[r] =ptr;
+    std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
+  }
+  _ShmAlloc=1;
+  _ShmAllocBytes  = bytes;
+};
+#endif // MMAP
+
+#ifdef GRID_MPI3_SHM_NONE
+void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
+{
+  std::cout << "SharedMemoryAllocate "<< bytes<< " MMAP anonymous implementation "<<std::endl;
+  assert(_ShmSetup==1);
+  assert(_ShmAlloc==0);
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // allocate the shared windows for our group
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  MPI_Barrier(WorldShmComm);
+  WorldShmCommBufs.resize(WorldShmSize);
+  
+  ////////////////////////////////////////////////////////////////////////////////////////////
+  // Hugetlbf and others map filesystems as mappable huge pages
+  ////////////////////////////////////////////////////////////////////////////////////////////
+  char shm_name [NAME_MAX];
+  assert(WorldShmSize == 1);
+  for(int r=0;r<WorldShmSize;r++){
+    
+    int fd=-1;
+    int mmap_flag = MAP_SHARED |MAP_ANONYMOUS ;
+#ifdef MAP_POPULATE    
+    mmap_flag|=MAP_POPULATE;
+#endif
+#ifdef MAP_HUGETLB
+    if ( flags ) mmap_flag |= MAP_HUGETLB;
+#endif
+    void *ptr = (void *) mmap(NULL, bytes, PROT_READ | PROT_WRITE, mmap_flag,fd, 0); 
+    if ( ptr == (void *)MAP_FAILED ) {    
+      printf("mmap %s failed\n",shm_name);
+      perror("failed mmap");      assert(0);    
+    }
+    assert(((uint64_t)ptr&0x3F)==0);
+    close(fd);
+    WorldShmCommBufs[r] =ptr;
+    std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
+  }
+  _ShmAlloc=1;
+  _ShmAllocBytes  = bytes;
+};
+#endif // MMAP
+
+#ifdef GRID_MPI3_SHMOPEN
+////////////////////////////////////////////////////////////////////////////////////////////
+// POSIX SHMOPEN ; as far as I know Linux does not allow EXPLICIT HugePages with this case
+// tmpfs (Larry Meadows says) does not support explicit huge page, and this is used for 
+// the posix shm virtual file system
+////////////////////////////////////////////////////////////////////////////////////////////
+void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
+{ 
+  std::cout << "SharedMemoryAllocate "<< bytes<< " SHMOPEN implementation "<<std::endl;
+  assert(_ShmSetup==1);
+  assert(_ShmAlloc==0); 
+  MPI_Barrier(WorldShmComm);
+  WorldShmCommBufs.resize(WorldShmSize);
+
+  char shm_name [NAME_MAX];
+  if ( WorldShmRank == 0 ) {
+    for(int r=0;r<WorldShmSize;r++){
+	
+      size_t size = bytes;
+      
+      struct passwd *pw = getpwuid (getuid());
+      sprintf(shm_name,"/Grid_%s_mpi3_shm_%d_%d",pw->pw_name,WorldNode,r);
+      
+      shm_unlink(shm_name);
+      int fd=shm_open(shm_name,O_RDWR|O_CREAT,0666);
+      if ( fd < 0 ) {	perror("failed shm_open");	assert(0);      }
+      ftruncate(fd, size);
+	
+      int mmap_flag = MAP_SHARED;
+#ifdef MAP_POPULATE 
+      mmap_flag |= MAP_POPULATE;
+#endif
+#ifdef MAP_HUGETLB
+      if (flags) mmap_flag |= MAP_HUGETLB;
+#endif
+      void * ptr =  mmap(NULL,size, PROT_READ | PROT_WRITE, mmap_flag, fd, 0);
+      
+      std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< size<< "bytes)"<<std::endl;
+      if ( ptr == (void * )MAP_FAILED ) {       
+	perror("failed mmap");     
+	assert(0);    
+      }
+      assert(((uint64_t)ptr&0x3F)==0);
+      
+      WorldShmCommBufs[r] =ptr;
+      close(fd);
+    }
+  }
+
+  MPI_Barrier(WorldShmComm);
+  
+  if ( WorldShmRank != 0 ) { 
+    for(int r=0;r<WorldShmSize;r++){
+
+      size_t size = bytes ;
+      
+      struct passwd *pw = getpwuid (getuid());
+      sprintf(shm_name,"/Grid_%s_mpi3_shm_%d_%d",pw->pw_name,WorldNode,r);
+      
+      int fd=shm_open(shm_name,O_RDWR,0666);
+      if ( fd<0 ) {	perror("failed shm_open");	assert(0);      }
+      
+      void * ptr =  mmap(NULL,size, PROT_READ | PROT_WRITE, MAP_SHARED, fd, 0);
+      if ( ptr == MAP_FAILED ) {       perror("failed mmap");      assert(0);    }
+      assert(((uint64_t)ptr&0x3F)==0);
+      WorldShmCommBufs[r] =ptr;
+
+      close(fd);
+    }
+  }
+  _ShmAlloc=1;
+  _ShmAllocBytes = bytes;
+}
+#endif
+
+
+
+
+  ////////////////////////////////////////////////////////
+  // Global shared functionality finished
+  // Now move to per communicator functionality
+  ////////////////////////////////////////////////////////
+void SharedMemory::SetCommunicator(Grid_MPI_Comm comm)
+{
+  int rank, size;
+  MPI_Comm_rank(comm,&rank);
+  MPI_Comm_size(comm,&size);
+  ShmRanks.resize(size);
+
+  /////////////////////////////////////////////////////////////////////
+  // Split into groups that can share memory
+  /////////////////////////////////////////////////////////////////////
+  MPI_Comm_split_type(comm, MPI_COMM_TYPE_SHARED, 0, MPI_INFO_NULL,&ShmComm);
+  MPI_Comm_rank(ShmComm     ,&ShmRank);
+  MPI_Comm_size(ShmComm     ,&ShmSize);
+  ShmCommBufs.resize(ShmSize);
+
+  //////////////////////////////////////////////////////////////////////
+  // Map ShmRank to WorldShmRank and use the right buffer
+  //////////////////////////////////////////////////////////////////////
+  assert (GlobalSharedMemory::ShmAlloc()==1);
+  heap_size = GlobalSharedMemory::ShmAllocBytes();
+  for(int r=0;r<ShmSize;r++){
+
+    uint32_t wsr = (r==ShmRank) ? GlobalSharedMemory::WorldShmRank : 0 ;
+
+    MPI_Allreduce(MPI_IN_PLACE,&wsr,1,MPI_UINT32_T,MPI_SUM,ShmComm);
+
+    ShmCommBufs[r] = GlobalSharedMemory::WorldShmCommBufs[wsr];
+    //    std::cout << "SetCommunicator ShmCommBufs ["<< r<< "] = "<< ShmCommBufs[r]<< "  wsr = "<<wsr<<std::endl;
+  }
+  ShmBufferFreeAll();
+
+  /////////////////////////////////////////////////////////////////////
+  // find comm ranks in our SHM group (i.e. which ranks are on our node)
+  /////////////////////////////////////////////////////////////////////
+  MPI_Group FullGroup, ShmGroup;
+  MPI_Comm_group (comm   , &FullGroup); 
+  MPI_Comm_group (ShmComm, &ShmGroup);
+
+  std::vector<int> ranks(size);   for(int r=0;r<size;r++) ranks[r]=r;
+  MPI_Group_translate_ranks (FullGroup,size,&ranks[0],ShmGroup, &ShmRanks[0]); 
+}
+//////////////////////////////////////////////////////////////////
+// On node barrier
+//////////////////////////////////////////////////////////////////
+void SharedMemory::ShmBarrier(void)
+{
+  MPI_Barrier  (ShmComm);
+}
+//////////////////////////////////////////////////////////////////////////////////////////////////////////
+// Test the shared memory is working
+//////////////////////////////////////////////////////////////////////////////////////////////////////////
+void SharedMemory::SharedMemoryTest(void)
+{
+  ShmBarrier();
+  if ( ShmRank == 0 ) {
+    for(int r=0;r<ShmSize;r++){
+      uint64_t * check = (uint64_t *) ShmCommBufs[r];
+      check[0] = GlobalSharedMemory::WorldNode;
+      check[1] = r;
+      check[2] = 0x5A5A5A;
+    }
+  }
+  ShmBarrier();
+  for(int r=0;r<ShmSize;r++){
+    uint64_t * check = (uint64_t *) ShmCommBufs[r];
+    
+    assert(check[0]==GlobalSharedMemory::WorldNode);
+    assert(check[1]==r);
+    assert(check[2]==0x5A5A5A);
+    
+  }
+  ShmBarrier();
+}
+
+void *SharedMemory::ShmBuffer(int rank)
+{
+  int gpeer = ShmRanks[rank];
+  if (gpeer == MPI_UNDEFINED){
+    return NULL;
+  } else { 
+    return ShmCommBufs[gpeer];
+  }
+}
+void *SharedMemory::ShmBufferTranslate(int rank,void * local_p)
+{
+  static int count =0;
+  int gpeer = ShmRanks[rank];
+  assert(gpeer!=ShmRank); // never send to self
+  if (gpeer == MPI_UNDEFINED){
+    return NULL;
+  } else { 
+    uint64_t offset = (uint64_t)local_p - (uint64_t)ShmCommBufs[ShmRank];
+    uint64_t remote = (uint64_t)ShmCommBufs[gpeer]+offset;
+    return (void *) remote;
+  }
+}
+SharedMemory::~SharedMemory()
+{
+  int MPI_is_finalised;  MPI_Finalized(&MPI_is_finalised);
+  if ( !MPI_is_finalised ) { 
+    MPI_Comm_free(&ShmComm);
+  }
+};
+
+}

Grid/communicator/SharedMemoryNone.cc

@@ -0,0 +1,128 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/communicator/SharedMemory.cc
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#include <Grid/GridCore.h>
+
+namespace Grid { 
+
+/*Construct from an MPI communicator*/
+void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
+{
+  assert(_ShmSetup==0);
+  WorldComm = 0;
+  WorldRank = 0;
+  WorldSize = 1;
+  WorldShmComm = 0 ;
+  WorldShmRank = 0 ;
+  WorldShmSize = 1 ;
+  WorldNodes   = 1 ;
+  WorldNode    = 0 ;
+  WorldShmRanks.resize(WorldSize); WorldShmRanks[0] = 0;
+  WorldShmCommBufs.resize(1);
+  _ShmSetup=1;
+}
+
+void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,Grid_MPI_Comm & optimal_comm)
+{
+  optimal_comm = WorldComm;
+}
+
+////////////////////////////////////////////////////////////////////////////////////////////
+// Hugetlbfs mapping intended, use anonymous mmap
+////////////////////////////////////////////////////////////////////////////////////////////
+void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
+{
+  void * ShmCommBuf ; 
+  assert(_ShmSetup==1);
+  assert(_ShmAlloc==0);
+  int mmap_flag =0;
+#ifdef MAP_ANONYMOUS
+  mmap_flag = mmap_flag| MAP_SHARED | MAP_ANONYMOUS;
+#endif
+#ifdef MAP_ANON
+  mmap_flag = mmap_flag| MAP_SHARED | MAP_ANON;
+#endif
+#ifdef MAP_HUGETLB
+  if ( flags ) mmap_flag |= MAP_HUGETLB;
+#endif
+  ShmCommBuf =(void *) mmap(NULL, bytes, PROT_READ | PROT_WRITE, mmap_flag, -1, 0); 
+  if (ShmCommBuf == (void *)MAP_FAILED) {
+    perror("mmap failed ");
+    exit(EXIT_FAILURE);  
+  }
+#ifdef MADV_HUGEPAGE
+  if (!Hugepages ) madvise(ShmCommBuf,bytes,MADV_HUGEPAGE);
+#endif
+  bzero(ShmCommBuf,bytes);
+  WorldShmCommBufs[0] = ShmCommBuf;
+  _ShmAllocBytes=bytes;
+  _ShmAlloc=1;
+};
+
+  ////////////////////////////////////////////////////////
+  // Global shared functionality finished
+  // Now move to per communicator functionality
+  ////////////////////////////////////////////////////////
+void SharedMemory::SetCommunicator(Grid_MPI_Comm comm)
+{
+  assert(GlobalSharedMemory::ShmAlloc()==1);
+  ShmRanks.resize(1);
+  ShmCommBufs.resize(1);
+  ShmRanks[0] = 0;
+  ShmRank     = 0;
+  ShmSize     = 1;
+  //////////////////////////////////////////////////////////////////////
+  // Map ShmRank to WorldShmRank and use the right buffer
+  //////////////////////////////////////////////////////////////////////
+  ShmCommBufs[0] = GlobalSharedMemory::WorldShmCommBufs[0];
+  heap_size      = GlobalSharedMemory::ShmAllocBytes();
+  ShmBufferFreeAll();
+  return;
+}
+//////////////////////////////////////////////////////////////////
+// On node barrier
+//////////////////////////////////////////////////////////////////
+void SharedMemory::ShmBarrier(void){ return ; }
+
+//////////////////////////////////////////////////////////////////////////////////////////////////////////
+// Test the shared memory is working
+//////////////////////////////////////////////////////////////////////////////////////////////////////////
+void SharedMemory::SharedMemoryTest(void) { return; }
+
+void *SharedMemory::ShmBuffer(int rank)
+{
+  return NULL;
+}
+void *SharedMemory::ShmBufferTranslate(int rank,void * local_p)
+{
+  return NULL;
+}
+SharedMemory::~SharedMemory()
+{};
+
+}

Grid/cshift/Cshift.h

@@ -42,7 +42,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/cshift/Cshift_mpi.h>
 #endif 
 
-#ifdef GRID_COMMS_MPI3L
+#ifdef GRID_COMMS_MPIT
 #include <Grid/cshift/Cshift_mpi.h>
 #endif 
 

Grid/cshift/Cshift_common.h

@@ -1,5 +1,4 @@
-
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -31,21 +30,11 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 namespace Grid {
 
-template<class vobj>
-class SimpleCompressor {
-public:
-  void Point(int) {};
-
-  vobj operator() (const vobj &arg) {
-    return arg;
-  }
-};
-
 ///////////////////////////////////////////////////////////////////
-// Gather for when there is no need to SIMD split with compression
+// Gather for when there is no need to SIMD split 
 ///////////////////////////////////////////////////////////////////
-template<class vobj,class cobj,class compressor> void 
-Gather_plane_simple (const Lattice<vobj> &rhs,commVector<cobj> &buffer,int dimension,int plane,int cbmask,compressor &compress, int off=0)
+template<class vobj> void 
+Gather_plane_simple (const Lattice<vobj> &rhs,commVector<vobj> &buffer,int dimension,int plane,int cbmask, int off=0)
 {
   int rd = rhs._grid->_rdimensions[dimension];
 
@@ -53,46 +42,44 @@ Gather_plane_simple (const Lattice<vobj> &rhs,commVector<cobj> &buffer,int dimen
     cbmask = 0x3;
   }
   
-  int so  = plane*rhs._grid->_ostride[dimension]; // base offset for start of plane 
-  
+  int so=plane*rhs._grid->_ostride[dimension]; // base offset for start of plane 
   int e1=rhs._grid->_slice_nblock[dimension];
   int e2=rhs._grid->_slice_block[dimension];
+  int ent = 0;
+
+  static std::vector<std::pair<int,int> > table; table.resize(e1*e2);
 
   int stride=rhs._grid->_slice_stride[dimension];
   if ( cbmask == 0x3 ) { 
-PARALLEL_NESTED_LOOP2
     for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
 	int o  = n*stride;
 	int bo = n*e2;
-	buffer[off+bo+b]=compress(rhs._odata[so+o+b]);
+	table[ent++] = std::pair<int,int>(off+bo+b,so+o+b);
       }
     }
   } else { 
      int bo=0;
-     std::vector<std::pair<int,int> > table;
      for(int n=0;n<e1;n++){
        for(int b=0;b<e2;b++){
 	 int o  = n*stride;
-	 int ocb=1<<rhs._grid->CheckerBoardFromOindexTable(o+b);
+	 int ocb=1<<rhs._grid->CheckerBoardFromOindex(o+b);
 	 if ( ocb &cbmask ) {
-	   table.push_back(std::pair<int,int> (bo++,o+b));
+	   table[ent++]=std::pair<int,int> (off+bo++,so+o+b);
 	 }
        }
      }
-PARALLEL_FOR_LOOP     
-     for(int i=0;i<table.size();i++){
-       buffer[off+table[i].first]=compress(rhs._odata[so+table[i].second]);
-     }
+  }
+  parallel_for(int i=0;i<ent;i++){
+    buffer[table[i].first]=rhs._odata[table[i].second];
   }
 }
 
-
 ///////////////////////////////////////////////////////////////////
-// Gather for when there *is* need to SIMD split with compression
+// Gather for when there *is* need to SIMD split 
 ///////////////////////////////////////////////////////////////////
-template<class cobj,class vobj,class compressor> void 
-Gather_plane_extract(const Lattice<vobj> &rhs,std::vector<typename cobj::scalar_object *> pointers,int dimension,int plane,int cbmask,compressor &compress)
+template<class vobj> void 
+Gather_plane_extract(const Lattice<vobj> &rhs,std::vector<typename vobj::scalar_object *> pointers,int dimension,int plane,int cbmask)
 {
   int rd = rhs._grid->_rdimensions[dimension];
 
@@ -105,57 +92,40 @@ Gather_plane_extract(const Lattice<vobj> &rhs,std::vector<typename cobj::scalar_
   int e1=rhs._grid->_slice_nblock[dimension];
   int e2=rhs._grid->_slice_block[dimension];
   int n1=rhs._grid->_slice_stride[dimension];
-  int n2=rhs._grid->_slice_block[dimension];
+
   if ( cbmask ==0x3){
-PARALLEL_NESTED_LOOP2
-    for(int n=0;n<e1;n++){
+    parallel_for_nest2(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
 
 	int o      =   n*n1;
-	int offset = b+n*n2;
-	cobj temp =compress(rhs._odata[so+o+b]);
-
-	extract<cobj>(temp,pointers,offset);
+	int offset = b+n*e2;
+	
+	vobj temp =rhs._odata[so+o+b];
+	extract<vobj>(temp,pointers,offset);
 
       }
     }
   } else { 
 
-    assert(0); //Fixme think this is buggy
-
-    for(int n=0;n<e1;n++){
+    // Case of SIMD split AND checker dim cannot currently be hit, except in 
+    // Test_cshift_red_black code.
+    std::cout << " Dense packed buffer WARNING " <<std::endl;
+    parallel_for_nest2(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
-	int o=n*rhs._grid->_slice_stride[dimension];
+
+	int o=n*n1;
 	int ocb=1<<rhs._grid->CheckerBoardFromOindex(o+b);
-	int offset = b+n*rhs._grid->_slice_block[dimension];
+	int offset = b+n*e2;
 
 	if ( ocb & cbmask ) {
-	  cobj temp =compress(rhs._odata[so+o+b]);
-	  extract<cobj>(temp,pointers,offset);
+	  vobj temp =rhs._odata[so+o+b];
+	  extract<vobj>(temp,pointers,offset);
 	}
       }
     }
   }
 }
 
-//////////////////////////////////////////////////////
-// Gather for when there is no need to SIMD split
-//////////////////////////////////////////////////////
-template<class vobj> void Gather_plane_simple (const Lattice<vobj> &rhs,commVector<vobj> &buffer, int dimension,int plane,int cbmask)
-{
-  SimpleCompressor<vobj> dontcompress;
-  Gather_plane_simple (rhs,buffer,dimension,plane,cbmask,dontcompress);
-}
-
-//////////////////////////////////////////////////////
-// Gather for when there *is* need to SIMD split
-//////////////////////////////////////////////////////
-template<class vobj> void Gather_plane_extract(const Lattice<vobj> &rhs,std::vector<typename vobj::scalar_object *> pointers,int dimension,int plane,int cbmask)
-{
-  SimpleCompressor<vobj> dontcompress;
-  Gather_plane_extract<vobj,vobj,decltype(dontcompress)>(rhs,pointers,dimension,plane,cbmask,dontcompress);
-}
-
 //////////////////////////////////////////////////////
 // Scatter for when there is no need to SIMD split
 //////////////////////////////////////////////////////
@@ -171,35 +141,43 @@ template<class vobj> void Scatter_plane_simple (Lattice<vobj> &rhs,commVector<vo
     
   int e1=rhs._grid->_slice_nblock[dimension];
   int e2=rhs._grid->_slice_block[dimension];
-  
+  int stride=rhs._grid->_slice_stride[dimension];
+
+  static std::vector<std::pair<int,int> > table; table.resize(e1*e2);
+  int ent    =0;
+
   if ( cbmask ==0x3 ) {
-PARALLEL_NESTED_LOOP2
+
     for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
 	int o   =n*rhs._grid->_slice_stride[dimension];
 	int bo  =n*rhs._grid->_slice_block[dimension];
-	rhs._odata[so+o+b]=buffer[bo+b];
+	table[ent++] = std::pair<int,int>(so+o+b,bo+b);
       }
     }
+
   } else { 
     int bo=0;
     for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
 	int o   =n*rhs._grid->_slice_stride[dimension];
-	int bo  =n*rhs._grid->_slice_block[dimension];
 	int ocb=1<<rhs._grid->CheckerBoardFromOindex(o+b);// Could easily be a table lookup
 	if ( ocb & cbmask ) {
-	  rhs._odata[so+o+b]=buffer[bo++];
+	  table[ent++]=std::pair<int,int> (so+o+b,bo++);
 	}
       }
     }
   }
+
+  parallel_for(int i=0;i<ent;i++){
+    rhs._odata[table[i].first]=buffer[table[i].second];
+  }
 }
 
 //////////////////////////////////////////////////////
 // Scatter for when there *is* need to SIMD split
 //////////////////////////////////////////////////////
- template<class vobj,class cobj> void Scatter_plane_merge(Lattice<vobj> &rhs,std::vector<cobj *> pointers,int dimension,int plane,int cbmask)
+template<class vobj> void Scatter_plane_merge(Lattice<vobj> &rhs,std::vector<typename vobj::scalar_object *> pointers,int dimension,int plane,int cbmask)
 {
   int rd = rhs._grid->_rdimensions[dimension];
 
@@ -213,8 +191,7 @@ PARALLEL_NESTED_LOOP2
   int e2=rhs._grid->_slice_block[dimension];
 
   if(cbmask ==0x3 ) {
-PARALLEL_NESTED_LOOP2
-    for(int n=0;n<e1;n++){
+    parallel_for_nest2(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
 	int o      = n*rhs._grid->_slice_stride[dimension];
 	int offset = b+n*rhs._grid->_slice_block[dimension];
@@ -222,7 +199,11 @@ PARALLEL_NESTED_LOOP2
       }
     }
   } else { 
-    assert(0); // think this is buggy FIXME
+
+    // Case of SIMD split AND checker dim cannot currently be hit, except in 
+    // Test_cshift_red_black code.
+    //    std::cout << "Scatter_plane merge assert(0); think this is buggy FIXME "<< std::endl;// think this is buggy FIXME
+    std::cout<<" Unthreaded warning -- buffer is not densely packed ??"<<std::endl;
     for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
 	int o      = n*rhs._grid->_slice_stride[dimension];
@@ -253,31 +234,32 @@ template<class vobj> void Copy_plane(Lattice<vobj>& lhs,const Lattice<vobj> &rhs
   int e1=rhs._grid->_slice_nblock[dimension]; // clearly loop invariant for icpc
   int e2=rhs._grid->_slice_block[dimension];
   int stride = rhs._grid->_slice_stride[dimension];
+  static std::vector<std::pair<int,int> > table; table.resize(e1*e2);
+  int ent=0;
+
   if(cbmask == 0x3 ){
-PARALLEL_NESTED_LOOP2
     for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
- 
         int o =n*stride+b;
-  	//lhs._odata[lo+o]=rhs._odata[ro+o];
-	vstream(lhs._odata[lo+o],rhs._odata[ro+o]);
+	table[ent++] = std::pair<int,int>(lo+o,ro+o);
       }
     }
   } else { 
-PARALLEL_NESTED_LOOP2
     for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
- 
         int o =n*stride+b;
         int ocb=1<<lhs._grid->CheckerBoardFromOindex(o);
         if ( ocb&cbmask ) {
-  	//lhs._odata[lo+o]=rhs._odata[ro+o];
-	  vstream(lhs._odata[lo+o],rhs._odata[ro+o]);
+	  table[ent++] = std::pair<int,int>(lo+o,ro+o);
 	}
       }
     }
   }
-  
+
+  parallel_for(int i=0;i<ent;i++){
+    lhs._odata[table[i].first]=rhs._odata[table[i].second];
+  }
+
 }
 
 template<class vobj> void Copy_plane_permute(Lattice<vobj>& lhs,const Lattice<vobj> &rhs, int dimension,int lplane,int rplane,int cbmask,int permute_type)
@@ -295,17 +277,29 @@ template<class vobj> void Copy_plane_permute(Lattice<vobj>& lhs,const Lattice<vo
   int e1=rhs._grid->_slice_nblock[dimension];
   int e2=rhs._grid->_slice_block [dimension];
   int stride = rhs._grid->_slice_stride[dimension];
-PARALLEL_NESTED_LOOP2
-  for(int n=0;n<e1;n++){
-  for(int b=0;b<e2;b++){
 
+  static std::vector<std::pair<int,int> > table;  table.resize(e1*e2);
+  int ent=0;
+
+  double t_tab,t_perm;
+  if ( cbmask == 0x3 ) {
+    for(int n=0;n<e1;n++){
+    for(int b=0;b<e2;b++){
+      int o  =n*stride;
+      table[ent++] = std::pair<int,int>(lo+o+b,ro+o+b);
+    }}
+  } else {
+    for(int n=0;n<e1;n++){
+    for(int b=0;b<e2;b++){
       int o  =n*stride;
       int ocb=1<<lhs._grid->CheckerBoardFromOindex(o+b);
-      if ( ocb&cbmask ) {
-	permute(lhs._odata[lo+o+b],rhs._odata[ro+o+b],permute_type);
-      }
+      if ( ocb&cbmask ) table[ent++] = std::pair<int,int>(lo+o+b,ro+o+b);
+    }}
+  }
 
-  }}
+  parallel_for(int i=0;i<ent;i++){
+    permute(lhs._odata[table[i].first],rhs._odata[table[i].second],permute_type);
+  }
 }
 
 //////////////////////////////////////////////////////
@@ -318,6 +312,8 @@ template<class vobj> void Cshift_local(Lattice<vobj>& ret,const Lattice<vobj> &r
   sshift[0] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Even);
   sshift[1] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Odd);
 
+  double t_local;
+  
   if ( sshift[0] == sshift[1] ) {
     Cshift_local(ret,rhs,dimension,shift,0x3);
   } else {
@@ -326,7 +322,7 @@ template<class vobj> void Cshift_local(Lattice<vobj>& ret,const Lattice<vobj> &r
   }
 }
 
-template<class vobj> Lattice<vobj> Cshift_local(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
+template<class vobj> void Cshift_local(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
 {
   GridBase *grid = rhs._grid;
   int fd = grid->_fdimensions[dimension];
@@ -338,8 +334,8 @@ template<class vobj> Lattice<vobj> Cshift_local(Lattice<vobj> &ret,const Lattice
   // Map to always positive shift modulo global full dimension.
   shift = (shift+fd)%fd;
 
-  ret.checkerboard = grid->CheckerBoardDestination(rhs.checkerboard,shift,dimension);
   // the permute type
+  ret.checkerboard = grid->CheckerBoardDestination(rhs.checkerboard,shift,dimension);
   int permute_dim =grid->PermuteDim(dimension);
   int permute_type=grid->PermuteType(dimension);
   int permute_type_dist;
@@ -348,22 +344,31 @@ template<class vobj> Lattice<vobj> Cshift_local(Lattice<vobj> &ret,const Lattice
 
     int o   = 0;
     int bo  = x * grid->_ostride[dimension];
-    
     int cb= (cbmask==0x2)? Odd : Even;
 
     int sshift = grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,cb);
     int sx     = (x+sshift)%rd;
-
-    // FIXME : This must change where we have a 
-    // Rotate slice.
     
-    // Document how this works ; why didn't I do this when I first wrote it...
     // wrap is whether sshift > rd.
     //  num is sshift mod rd.
     // 
+    //  shift 7
+    //
+    //  XoXo YcYc 
+    //  oXoX cYcY
+    //  XoXo YcYc
+    //  oXoX cYcY
+    //
+    //  sshift -- 
+    //
+    //  XX YY ; 3
+    //  XX YY ; 0
+    //  XX YY ; 3
+    //  XX YY ; 0
+    //
     int permute_slice=0;
     if(permute_dim){
-      int wrap = sshift/rd;
+      int wrap = sshift/rd; wrap=wrap % ly;
       int  num = sshift%rd;
 
       if ( x< rd-num ) permute_slice=wrap;
@@ -375,15 +380,12 @@ template<class vobj> Lattice<vobj> Cshift_local(Lattice<vobj> &ret,const Lattice
       } else {
 	permute_type_dist = permute_type;
       }
-      
     }
 
     if ( permute_slice ) Copy_plane_permute(ret,rhs,dimension,x,sx,cbmask,permute_type_dist);
     else                 Copy_plane(ret,rhs,dimension,x,sx,cbmask); 
-
   
   }
-  return ret;
 }
 }
 #endif

Grid/cshift/Cshift_mpi.h

@@ -54,13 +54,13 @@ template<class vobj> Lattice<vobj> Cshift(const Lattice<vobj> &rhs,int dimension
 
 
   if ( !comm_dim ) {
-    //    std::cout << "Cshift_local" <<std::endl;
+    //std::cout << "CSHIFT: Cshift_local" <<std::endl;
     Cshift_local(ret,rhs,dimension,shift); // Handles checkerboarding
   } else if ( splice_dim ) {
-    //    std::cout << "Cshift_comms_simd" <<std::endl;
+    //std::cout << "CSHIFT: Cshift_comms_simd call - splice_dim = " << splice_dim << " shift " << shift << " dimension = " << dimension << std::endl;
     Cshift_comms_simd(ret,rhs,dimension,shift);
   } else {
-    //    std::cout << "Cshift_comms" <<std::endl;
+    //std::cout << "CSHIFT: Cshift_comms" <<std::endl;
     Cshift_comms(ret,rhs,dimension,shift);
   }
   return ret;
@@ -74,7 +74,6 @@ template<class vobj> void Cshift_comms(Lattice<vobj>& ret,const Lattice<vobj> &r
   sshift[1] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Odd);
 
   //  std::cout << "Cshift_comms dim "<<dimension<<"cb "<<rhs.checkerboard<<"shift "<<shift<<" sshift " << sshift[0]<<" "<<sshift[1]<<std::endl;
-
   if ( sshift[0] == sshift[1] ) {
     //    std::cout << "Single pass Cshift_comms" <<std::endl;
     Cshift_comms(ret,rhs,dimension,shift,0x3);
@@ -92,9 +91,12 @@ template<class vobj> void Cshift_comms_simd(Lattice<vobj>& ret,const Lattice<vob
   sshift[0] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Even);
   sshift[1] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Odd);
 
+  //std::cout << "Cshift_comms_simd dim "<<dimension<<"cb "<<rhs.checkerboard<<"shift "<<shift<<" sshift " << sshift[0]<<" "<<sshift[1]<<std::endl;
   if ( sshift[0] == sshift[1] ) {
+    //std::cout << "Single pass Cshift_comms" <<std::endl;
     Cshift_comms_simd(ret,rhs,dimension,shift,0x3);
   } else {
+    //std::cout << "Two pass Cshift_comms" <<std::endl;
     Cshift_comms_simd(ret,rhs,dimension,shift,0x1);// if checkerboard is unfavourable take two passes
     Cshift_comms_simd(ret,rhs,dimension,shift,0x2);// both with block stride loop iteration
   }
@@ -154,10 +156,8 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
 			   (void *)&recv_buf[0],
 			   recv_from_rank,
 			   bytes);
+      grid->Barrier();
 
-      //      for(int i=0;i<words;i++){
-      //	std::cout << "SendRecv ["<<i<<"] snd "<<send_buf[i]<<" rcv " << recv_buf[i] << "  0x" << cbmask<<std::endl;
-      //      }
       Scatter_plane_simple (ret,recv_buf,dimension,x,cbmask);
     }
   }
@@ -178,6 +178,10 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
   int simd_layout     = grid->_simd_layout[dimension];
   int comm_dim        = grid->_processors[dimension] >1 ;
 
+  //std::cout << "Cshift_comms_simd dim "<< dimension << " fd "<<fd<<" rd "<<rd
+  //    << " ld "<<ld<<" pd " << pd<<" simd_layout "<<simd_layout 
+  //    << " comm_dim " << comm_dim << " cbmask " << cbmask <<std::endl;
+
   assert(comm_dim==1);
   assert(simd_layout==2);
   assert(shift>=0);
@@ -243,7 +247,7 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
 			     (void *)&recv_buf_extract[i][0],
 			     recv_from_rank,
 			     bytes);
-
+	grid->Barrier();
 	rpointers[i] = &recv_buf_extract[i][0];
       } else { 
 	rpointers[i] = &send_buf_extract[nbr_lane][0];

Grid/lattice/Lattice_arith.h

@@ -39,8 +39,7 @@ namespace Grid {
     ret.checkerboard = lhs.checkerboard;
     conformable(ret,rhs);
     conformable(lhs,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<lhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       obj1 tmp;
       mult(&tmp,&lhs._odata[ss],&rhs._odata[ss]);
@@ -56,8 +55,7 @@ PARALLEL_FOR_LOOP
     ret.checkerboard = lhs.checkerboard;
     conformable(ret,rhs);
     conformable(lhs,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<lhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       obj1 tmp;
       mac(&tmp,&lhs._odata[ss],&rhs._odata[ss]);
@@ -73,8 +71,7 @@ PARALLEL_FOR_LOOP
     ret.checkerboard = lhs.checkerboard;
     conformable(ret,rhs);
     conformable(lhs,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<lhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       obj1 tmp;
       sub(&tmp,&lhs._odata[ss],&rhs._odata[ss]);
@@ -89,8 +86,7 @@ PARALLEL_FOR_LOOP
     ret.checkerboard = lhs.checkerboard;
     conformable(ret,rhs);
     conformable(lhs,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<lhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       obj1 tmp;
       add(&tmp,&lhs._odata[ss],&rhs._odata[ss]);
@@ -108,8 +104,7 @@ PARALLEL_FOR_LOOP
     void mult(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
     ret.checkerboard = lhs.checkerboard;
     conformable(lhs,ret);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<lhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
       obj1 tmp;
       mult(&tmp,&lhs._odata[ss],&rhs);
       vstream(ret._odata[ss],tmp);
@@ -120,8 +115,7 @@ PARALLEL_FOR_LOOP
     void mac(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
     ret.checkerboard = lhs.checkerboard;
     conformable(ret,lhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<lhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
       obj1 tmp;
       mac(&tmp,&lhs._odata[ss],&rhs);
       vstream(ret._odata[ss],tmp);
@@ -132,8 +126,7 @@ PARALLEL_FOR_LOOP
     void sub(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
     ret.checkerboard = lhs.checkerboard;
     conformable(ret,lhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<lhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       obj1 tmp;
       sub(&tmp,&lhs._odata[ss],&rhs);
@@ -147,8 +140,7 @@ PARALLEL_FOR_LOOP
     void add(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
     ret.checkerboard = lhs.checkerboard;
     conformable(lhs,ret);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<lhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       obj1 tmp;
       add(&tmp,&lhs._odata[ss],&rhs);
@@ -166,8 +158,7 @@ PARALLEL_FOR_LOOP
     void mult(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
     ret.checkerboard = rhs.checkerboard;
     conformable(ret,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<rhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       obj1 tmp;
       mult(&tmp,&lhs,&rhs._odata[ss]);
@@ -182,8 +173,7 @@ PARALLEL_FOR_LOOP
     void mac(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
     ret.checkerboard = rhs.checkerboard;
     conformable(ret,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<rhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       obj1 tmp;
       mac(&tmp,&lhs,&rhs._odata[ss]);
@@ -198,8 +188,7 @@ PARALLEL_FOR_LOOP
     void sub(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
     ret.checkerboard = rhs.checkerboard;
     conformable(ret,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<rhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       obj1 tmp;
       sub(&tmp,&lhs,&rhs._odata[ss]);
@@ -213,8 +202,7 @@ PARALLEL_FOR_LOOP
     void add(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
     ret.checkerboard = rhs.checkerboard;
     conformable(ret,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<rhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       obj1 tmp;
       add(&tmp,&lhs,&rhs._odata[ss]);
@@ -230,8 +218,7 @@ PARALLEL_FOR_LOOP
     ret.checkerboard = x.checkerboard;
     conformable(ret,x);
     conformable(x,y);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<x._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<x._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       vobj tmp = a*x._odata[ss]+y._odata[ss];
       vstream(ret._odata[ss],tmp);
@@ -245,8 +232,7 @@ PARALLEL_FOR_LOOP
     ret.checkerboard = x.checkerboard;
     conformable(ret,x);
     conformable(x,y);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<x._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<x._grid->oSites();ss++){
 #ifdef STREAMING_STORES
       vobj tmp = a*x._odata[ss]+b*y._odata[ss];
       vstream(ret._odata[ss],tmp);
@@ -258,19 +244,11 @@ PARALLEL_FOR_LOOP
 
   template<class sobj,class vobj> strong_inline
   RealD axpy_norm(Lattice<vobj> &ret,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &y){
-    ret.checkerboard = x.checkerboard;
-    conformable(ret,x);
-    conformable(x,y);
-    axpy(ret,a,x,y);
-    return norm2(ret);
+    return axpy_norm_fast(ret,a,x,y);
   }
   template<class sobj,class vobj> strong_inline
   RealD axpby_norm(Lattice<vobj> &ret,sobj a,sobj b,const Lattice<vobj> &x,const Lattice<vobj> &y){
-    ret.checkerboard = x.checkerboard;
-    conformable(ret,x);
-    conformable(x,y);
-    axpby(ret,a,b,x,y);
-    return norm2(ret); // FIXME implement parallel norm in ss loop
+    return axpby_norm_fast(ret,a,b,x,y);
   }
 
 }

Grid/lattice/Lattice_base.h

@@ -121,8 +121,7 @@ public:
     assert( (cb==Odd) || (cb==Even));
     checkerboard=cb;
 
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<_grid->oSites();ss++){
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
 #ifdef STREAMING_STORES
       vobj tmp = eval(ss,expr);
       vstream(_odata[ss] ,tmp);
@@ -144,8 +143,7 @@ PARALLEL_FOR_LOOP
     assert( (cb==Odd) || (cb==Even));
     checkerboard=cb;
 
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<_grid->oSites();ss++){
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
 #ifdef STREAMING_STORES
       vobj tmp = eval(ss,expr);
       vstream(_odata[ss] ,tmp);
@@ -167,8 +165,7 @@ PARALLEL_FOR_LOOP
     assert( (cb==Odd) || (cb==Even));
     checkerboard=cb;
 
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<_grid->oSites();ss++){
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
 #ifdef STREAMING_STORES
       //vobj tmp = eval(ss,expr);
       vstream(_odata[ss] ,eval(ss,expr));
@@ -191,8 +188,7 @@ PARALLEL_FOR_LOOP
     checkerboard=cb;
 
     _odata.resize(_grid->oSites());
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<_grid->oSites();ss++){
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
 #ifdef STREAMING_STORES
       vobj tmp = eval(ss,expr);
       vstream(_odata[ss] ,tmp);
@@ -213,8 +209,7 @@ PARALLEL_FOR_LOOP
     checkerboard=cb;
 
     _odata.resize(_grid->oSites());
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<_grid->oSites();ss++){
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
 #ifdef STREAMING_STORES
       vobj tmp = eval(ss,expr);
       vstream(_odata[ss] ,tmp);
@@ -235,73 +230,103 @@ PARALLEL_FOR_LOOP
     checkerboard=cb;
 
     _odata.resize(_grid->oSites());
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<_grid->oSites();ss++){
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
       vstream(_odata[ss] ,eval(ss,expr));
     }
   };
 
-    //////////////////////////////////////////////////////////////////
-    // Constructor requires "grid" passed.
-    // what about a default grid?
-    //////////////////////////////////////////////////////////////////
-    Lattice(GridBase *grid) : _odata(grid->oSites()) {
-        _grid = grid;
+  //////////////////////////////////////////////////////////////////
+  // Constructor requires "grid" passed.
+  // what about a default grid?
+  //////////////////////////////////////////////////////////////////
+  Lattice(GridBase *grid) : _odata(grid->oSites()) {
+    _grid = grid;
     //        _odata.reserve(_grid->oSites());
     //        _odata.resize(_grid->oSites());
     //      std::cout << "Constructing lattice object with Grid pointer "<<_grid<<std::endl;
-        assert((((uint64_t)&_odata[0])&0xF) ==0);
-        checkerboard=0;
-    }
+    assert((((uint64_t)&_odata[0])&0xF) ==0);
+    checkerboard=0;
+  }
+  
+  Lattice(const Lattice& r){ // copy constructor
+    _grid = r._grid;
+    checkerboard = r.checkerboard;
+    _odata.resize(_grid->oSites());// essential
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
+      _odata[ss]=r._odata[ss];
+    }  	
+  }
 
-    Lattice(const Lattice& r){ // copy constructor
-    	_grid = r._grid;
-    	checkerboard = r.checkerboard;
-    	_odata.resize(_grid->oSites());// essential
-  		PARALLEL_FOR_LOOP
-        for(int ss=0;ss<_grid->oSites();ss++){
-            _odata[ss]=r._odata[ss];
-        }  	
-    }
+  Lattice(Lattice&& r){ // move constructor
+    _grid = r._grid;
+    checkerboard = r.checkerboard;
+    _odata=std::move(r._odata);
+  }
+  
+  inline Lattice<vobj> & operator = (Lattice<vobj> && r)
+  {
+    _grid        = r._grid;
+    checkerboard = r.checkerboard;
+    _odata       =std::move(r._odata);
+    return *this;
+  }
 
-
-
-    virtual ~Lattice(void) = default;
+  inline Lattice<vobj> & operator = (const Lattice<vobj> & r){
+    _grid        = r._grid;
+    checkerboard = r.checkerboard;
+    _odata.resize(_grid->oSites());// essential
     
-    template<class sobj> strong_inline Lattice<vobj> & operator = (const sobj & r){
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<_grid->oSites();ss++){
-            this->_odata[ss]=r;
-        }
-        return *this;
-    }
-    template<class robj> strong_inline Lattice<vobj> & operator = (const Lattice<robj> & r){
-      this->checkerboard = r.checkerboard;
-      conformable(*this,r);
-      
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<_grid->oSites();ss++){
-            this->_odata[ss]=r._odata[ss];
-        }
-        return *this;
-    }
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
+      _odata[ss]=r._odata[ss];
+    }  	
+    return *this;
+  }
 
-    // *=,+=,-= operators inherit behvour from correspond */+/- operation
-    template<class T> strong_inline Lattice<vobj> &operator *=(const T &r) {
-        *this = (*this)*r;
-        return *this;
+  template<class robj> strong_inline Lattice<vobj> & operator = (const Lattice<robj> & r){
+    this->checkerboard = r.checkerboard;
+    conformable(*this,r);
+    
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
+      this->_odata[ss]=r._odata[ss];
     }
+    return *this;
+  }
 
-    template<class T> strong_inline Lattice<vobj> &operator -=(const T &r) {
-        *this = (*this)-r;
-        return *this;
+  virtual ~Lattice(void) = default;
+    
+  void reset(GridBase* grid) {
+    if (_grid != grid) {
+      _grid = grid;
+      _odata.resize(grid->oSites());
+      checkerboard = 0;
     }
-    template<class T> strong_inline Lattice<vobj> &operator +=(const T &r) {
-        *this = (*this)+r;
-        return *this;
-    }
- }; // class Lattice
+  }
+  
 
+  template<class sobj> strong_inline Lattice<vobj> & operator = (const sobj & r){
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
+      this->_odata[ss]=r;
+    }
+    return *this;
+  }
+  
+  
+  // *=,+=,-= operators inherit behvour from correspond */+/- operation
+  template<class T> strong_inline Lattice<vobj> &operator *=(const T &r) {
+    *this = (*this)*r;
+    return *this;
+  }
+  
+  template<class T> strong_inline Lattice<vobj> &operator -=(const T &r) {
+    *this = (*this)-r;
+    return *this;
+  }
+  template<class T> strong_inline Lattice<vobj> &operator +=(const T &r) {
+    *this = (*this)+r;
+    return *this;
+  }
+}; // class Lattice
+  
   template<class vobj> std::ostream& operator<< (std::ostream& stream, const Lattice<vobj> &o){
     std::vector<int> gcoor;
     typedef typename vobj::scalar_object sobj;
@@ -319,7 +344,7 @@ PARALLEL_FOR_LOOP
     }
     return stream;
   }
-
+  
 }
 
 

Grid/lattice/Lattice_comparison.h

@@ -45,90 +45,87 @@ namespace Grid {
   //////////////////////////////////////////////////////////////////////////
   template<class vfunctor,class lobj,class robj>  
     inline Lattice<vInteger> LLComparison(vfunctor op,const Lattice<lobj> &lhs,const Lattice<robj> &rhs)
-    {
-      Lattice<vInteger> ret(rhs._grid);
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<rhs._grid->oSites(); ss++){
-	  ret._odata[ss]=op(lhs._odata[ss],rhs._odata[ss]);
-        }
-        return ret;
+  {
+    Lattice<vInteger> ret(rhs._grid);
+    parallel_for(int ss=0;ss<rhs._grid->oSites(); ss++){
+      ret._odata[ss]=op(lhs._odata[ss],rhs._odata[ss]);
     }
+    return ret;
+  }
   //////////////////////////////////////////////////////////////////////////
   // compare lattice to scalar
   //////////////////////////////////////////////////////////////////////////
-    template<class vfunctor,class lobj,class robj> 
+  template<class vfunctor,class lobj,class robj> 
     inline Lattice<vInteger> LSComparison(vfunctor op,const Lattice<lobj> &lhs,const robj &rhs)
-    {
-      Lattice<vInteger> ret(lhs._grid);
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<lhs._grid->oSites(); ss++){
-	  ret._odata[ss]=op(lhs._odata[ss],rhs);
-        }
-        return ret;
+  {
+    Lattice<vInteger> ret(lhs._grid);
+    parallel_for(int ss=0;ss<lhs._grid->oSites(); ss++){
+      ret._odata[ss]=op(lhs._odata[ss],rhs);
     }
+    return ret;
+  }
   //////////////////////////////////////////////////////////////////////////
   // compare scalar to lattice
   //////////////////////////////////////////////////////////////////////////
-    template<class vfunctor,class lobj,class robj> 
+  template<class vfunctor,class lobj,class robj> 
     inline Lattice<vInteger> SLComparison(vfunctor op,const lobj &lhs,const Lattice<robj> &rhs)
-    {
-      Lattice<vInteger> ret(rhs._grid);
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<rhs._grid->oSites(); ss++){
-	  ret._odata[ss]=op(lhs._odata[ss],rhs);
-        }
-        return ret;
+  {
+    Lattice<vInteger> ret(rhs._grid);
+    parallel_for(int ss=0;ss<rhs._grid->oSites(); ss++){
+      ret._odata[ss]=op(lhs._odata[ss],rhs);
     }
-
+    return ret;
+  }
+  
   //////////////////////////////////////////////////////////////////////////
   // Map to functors
   //////////////////////////////////////////////////////////////////////////
-    // Less than
-   template<class lobj,class robj>
-   inline Lattice<vInteger> operator < (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
-     return LLComparison(vlt<lobj,robj>(),lhs,rhs);
-   }
-   template<class lobj,class robj>
-   inline Lattice<vInteger> operator < (const Lattice<lobj> & lhs, const robj & rhs) {
-     return LSComparison(vlt<lobj,robj>(),lhs,rhs);
-   }
-   template<class lobj,class robj>
-   inline Lattice<vInteger> operator < (const lobj & lhs, const Lattice<robj> & rhs) {
-     return SLComparison(vlt<lobj,robj>(),lhs,rhs);
-   }
-
-   // Less than equal
-   template<class lobj,class robj>
-   inline Lattice<vInteger> operator <= (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
-     return LLComparison(vle<lobj,robj>(),lhs,rhs);
-   }
-   template<class lobj,class robj>
-   inline Lattice<vInteger> operator <= (const Lattice<lobj> & lhs, const robj & rhs) {
-     return LSComparison(vle<lobj,robj>(),lhs,rhs);
-   }
-   template<class lobj,class robj>
-   inline Lattice<vInteger> operator <= (const lobj & lhs, const Lattice<robj> & rhs) {
-     return SLComparison(vle<lobj,robj>(),lhs,rhs);
-   }
-
-   // Greater than 
-   template<class lobj,class robj>
-   inline Lattice<vInteger> operator > (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
-     return LLComparison(vgt<lobj,robj>(),lhs,rhs);
-   }
-   template<class lobj,class robj>
-   inline Lattice<vInteger> operator > (const Lattice<lobj> & lhs, const robj & rhs) {
-     return LSComparison(vgt<lobj,robj>(),lhs,rhs);
-   }
-   template<class lobj,class robj>
-   inline Lattice<vInteger> operator > (const lobj & lhs, const Lattice<robj> & rhs) {
+  // Less than
+  template<class lobj,class robj>
+    inline Lattice<vInteger> operator < (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+    return LLComparison(vlt<lobj,robj>(),lhs,rhs);
+  }
+  template<class lobj,class robj>
+    inline Lattice<vInteger> operator < (const Lattice<lobj> & lhs, const robj & rhs) {
+    return LSComparison(vlt<lobj,robj>(),lhs,rhs);
+  }
+  template<class lobj,class robj>
+    inline Lattice<vInteger> operator < (const lobj & lhs, const Lattice<robj> & rhs) {
+    return SLComparison(vlt<lobj,robj>(),lhs,rhs);
+  }
+  
+  // Less than equal
+  template<class lobj,class robj>
+    inline Lattice<vInteger> operator <= (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+    return LLComparison(vle<lobj,robj>(),lhs,rhs);
+  }
+  template<class lobj,class robj>
+    inline Lattice<vInteger> operator <= (const Lattice<lobj> & lhs, const robj & rhs) {
+    return LSComparison(vle<lobj,robj>(),lhs,rhs);
+  }
+  template<class lobj,class robj>
+    inline Lattice<vInteger> operator <= (const lobj & lhs, const Lattice<robj> & rhs) {
+    return SLComparison(vle<lobj,robj>(),lhs,rhs);
+  }
+  
+  // Greater than 
+  template<class lobj,class robj>
+    inline Lattice<vInteger> operator > (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+    return LLComparison(vgt<lobj,robj>(),lhs,rhs);
+  }
+  template<class lobj,class robj>
+    inline Lattice<vInteger> operator > (const Lattice<lobj> & lhs, const robj & rhs) {
+    return LSComparison(vgt<lobj,robj>(),lhs,rhs);
+  }
+  template<class lobj,class robj>
+    inline Lattice<vInteger> operator > (const lobj & lhs, const Lattice<robj> & rhs) {
      return SLComparison(vgt<lobj,robj>(),lhs,rhs);
-   }
-
-
-   // Greater than equal
+  }
+  
+  
+  // Greater than equal
    template<class lobj,class robj>
-   inline Lattice<vInteger> operator >= (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+     inline Lattice<vInteger> operator >= (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
      return LLComparison(vge<lobj,robj>(),lhs,rhs);
    }
    template<class lobj,class robj>
@@ -136,38 +133,37 @@ PARALLEL_FOR_LOOP
      return LSComparison(vge<lobj,robj>(),lhs,rhs);
    }
    template<class lobj,class robj>
-   inline Lattice<vInteger> operator >= (const lobj & lhs, const Lattice<robj> & rhs) {
+     inline Lattice<vInteger> operator >= (const lobj & lhs, const Lattice<robj> & rhs) {
      return SLComparison(vge<lobj,robj>(),lhs,rhs);
    }
-
+   
    // equal
    template<class lobj,class robj>
-   inline Lattice<vInteger> operator == (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+     inline Lattice<vInteger> operator == (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
      return LLComparison(veq<lobj,robj>(),lhs,rhs);
    }
    template<class lobj,class robj>
-   inline Lattice<vInteger> operator == (const Lattice<lobj> & lhs, const robj & rhs) {
+     inline Lattice<vInteger> operator == (const Lattice<lobj> & lhs, const robj & rhs) {
      return LSComparison(veq<lobj,robj>(),lhs,rhs);
    }
    template<class lobj,class robj>
-   inline Lattice<vInteger> operator == (const lobj & lhs, const Lattice<robj> & rhs) {
+     inline Lattice<vInteger> operator == (const lobj & lhs, const Lattice<robj> & rhs) {
      return SLComparison(veq<lobj,robj>(),lhs,rhs);
    }
-
-
+   
+   
    // not equal
    template<class lobj,class robj>
-   inline Lattice<vInteger> operator != (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+     inline Lattice<vInteger> operator != (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
      return LLComparison(vne<lobj,robj>(),lhs,rhs);
    }
    template<class lobj,class robj>
-   inline Lattice<vInteger> operator != (const Lattice<lobj> & lhs, const robj & rhs) {
+     inline Lattice<vInteger> operator != (const Lattice<lobj> & lhs, const robj & rhs) {
      return LSComparison(vne<lobj,robj>(),lhs,rhs);
    }
    template<class lobj,class robj>
-   inline Lattice<vInteger> operator != (const lobj & lhs, const Lattice<robj> & rhs) {
+     inline Lattice<vInteger> operator != (const lobj & lhs, const Lattice<robj> & rhs) {
      return SLComparison(vne<lobj,robj>(),lhs,rhs);
    }
-
 }
 #endif

Grid/lattice/Lattice_comparison_utils.h

@@ -179,7 +179,7 @@ namespace Grid {
       return ret;
     }
 
-#define DECLARE_RELATIONAL(op,functor) \
+#define DECLARE_RELATIONAL_EQ(op,functor) \
   template<class vsimd,IfSimd<vsimd> = 0>\
     inline vInteger operator op (const vsimd & lhs, const vsimd & rhs)\
     {\
@@ -198,11 +198,6 @@ namespace Grid {
       typedef typename vsimd::scalar_type scalar;\
       return Comparison(functor<scalar,scalar>(),lhs,rhs);\
     }\
-  template<class vsimd>\
-    inline vInteger operator op(const iScalar<vsimd> &lhs,const iScalar<vsimd> &rhs)\
-    {									\
-      return lhs._internal op rhs._internal;				\
-    }									\
   template<class vsimd>\
     inline vInteger operator op(const iScalar<vsimd> &lhs,const typename vsimd::scalar_type &rhs) \
     {									\
@@ -212,14 +207,21 @@ namespace Grid {
     inline vInteger operator op(const typename vsimd::scalar_type &lhs,const iScalar<vsimd> &rhs) \
     {									\
       return lhs op rhs._internal;					\
-    }									
+    }									\
 
+#define DECLARE_RELATIONAL(op,functor) \
+  DECLARE_RELATIONAL_EQ(op,functor)    \
+  template<class vsimd>\
+    inline vInteger operator op(const iScalar<vsimd> &lhs,const iScalar<vsimd> &rhs)\
+    {									\
+      return lhs._internal op rhs._internal;				\
+    }									
 
 DECLARE_RELATIONAL(<,slt);
 DECLARE_RELATIONAL(<=,sle);
 DECLARE_RELATIONAL(>,sgt);
 DECLARE_RELATIONAL(>=,sge);
-DECLARE_RELATIONAL(==,seq);
+DECLARE_RELATIONAL_EQ(==,seq);
 DECLARE_RELATIONAL(!=,sne);
 
 #undef DECLARE_RELATIONAL

Grid/lattice/Lattice_coordinate.h

@@ -52,23 +52,5 @@ namespace Grid {
       }
     };
 
-    // LatticeCoordinate();
-    // FIXME for debug; deprecate this; made obscelete by 
-    template<class vobj> void lex_sites(Lattice<vobj> &l){
-      Real *v_ptr = (Real *)&l._odata[0];
-      size_t o_len = l._grid->oSites();
-      size_t v_len = sizeof(vobj)/sizeof(vRealF);
-      size_t vec_len = vRealF::Nsimd();
-
-      for(int i=0;i<o_len;i++){
-	for(int j=0;j<v_len;j++){
-          for(int vv=0;vv<vec_len;vv+=2){
-	    v_ptr[i*v_len*vec_len+j*vec_len+vv  ]= i+vv*500;
-	    v_ptr[i*v_len*vec_len+j*vec_len+vv+1]= i+vv*500;
-	  }
-	}}
-    }
-
-
 }
 #endif

Grid/lattice/Lattice_local.h

@@ -34,47 +34,42 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 namespace Grid {
 
-    /////////////////////////////////////////////////////
-    // Non site, reduced locally reduced routines
-    /////////////////////////////////////////////////////
-
-    // localNorm2,
-    template<class vobj>
+  /////////////////////////////////////////////////////
+  // Non site, reduced locally reduced routines
+  /////////////////////////////////////////////////////
+  
+  // localNorm2,
+  template<class vobj>
     inline auto localNorm2 (const Lattice<vobj> &rhs)-> Lattice<typename vobj::tensor_reduced>
     {
       Lattice<typename vobj::tensor_reduced> ret(rhs._grid);
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<rhs._grid->oSites(); ss++){
-	  ret._odata[ss]=innerProduct(rhs._odata[ss],rhs._odata[ss]);
-        }
-        return ret;
+      parallel_for(int ss=0;ss<rhs._grid->oSites(); ss++){
+	ret._odata[ss]=innerProduct(rhs._odata[ss],rhs._odata[ss]);
+      }
+      return ret;
     }
-    
-    // localInnerProduct
-    template<class vobj>
+  
+  // localInnerProduct
+  template<class vobj>
     inline auto localInnerProduct (const Lattice<vobj> &lhs,const Lattice<vobj> &rhs) -> Lattice<typename vobj::tensor_reduced>
     {
       Lattice<typename vobj::tensor_reduced> ret(rhs._grid);
-PARALLEL_FOR_LOOP
-      for(int ss=0;ss<rhs._grid->oSites(); ss++){
+      parallel_for(int ss=0;ss<rhs._grid->oSites(); ss++){
 	ret._odata[ss]=innerProduct(lhs._odata[ss],rhs._odata[ss]);
       }
       return ret;
     }
-    
-    // outerProduct Scalar x Scalar -> Scalar
-    //              Vector x Vector -> Matrix
-    template<class ll,class rr>
+  
+  // outerProduct Scalar x Scalar -> Scalar
+  //              Vector x Vector -> Matrix
+  template<class ll,class rr>
     inline auto outerProduct (const Lattice<ll> &lhs,const Lattice<rr> &rhs) -> Lattice<decltype(outerProduct(lhs._odata[0],rhs._odata[0]))>
-    {
-        Lattice<decltype(outerProduct(lhs._odata[0],rhs._odata[0]))> ret(rhs._grid);
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<rhs._grid->oSites(); ss++){
-            ret._odata[ss]=outerProduct(lhs._odata[ss],rhs._odata[ss]);
-        }
-        return ret;
-     }
-
+  {
+    Lattice<decltype(outerProduct(lhs._odata[0],rhs._odata[0]))> ret(rhs._grid);
+    parallel_for(int ss=0;ss<rhs._grid->oSites(); ss++){
+      ret._odata[ss]=outerProduct(lhs._odata[ss],rhs._odata[ss]);
+    }
+    return ret;
+  }
 }
-
 #endif

Grid/lattice/Lattice_overload.h

@@ -37,8 +37,7 @@ namespace Grid {
   inline Lattice<vobj> operator -(const Lattice<vobj> &r)
   {
     Lattice<vobj> ret(r._grid);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<r._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<r._grid->oSites();ss++){
       vstream(ret._odata[ss], -r._odata[ss]);
     }
     return ret;
@@ -74,8 +73,7 @@ PARALLEL_FOR_LOOP
   inline auto operator * (const left &lhs,const Lattice<right> &rhs) -> Lattice<decltype(lhs*rhs._odata[0])>
   {
     Lattice<decltype(lhs*rhs._odata[0])> ret(rhs._grid);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<rhs._grid->oSites(); ss++){
+    parallel_for(int ss=0;ss<rhs._grid->oSites(); ss++){
       decltype(lhs*rhs._odata[0]) tmp=lhs*rhs._odata[ss]; 
       vstream(ret._odata[ss],tmp);
 	   //      ret._odata[ss]=lhs*rhs._odata[ss];
@@ -86,8 +84,7 @@ PARALLEL_FOR_LOOP
     inline auto operator + (const left &lhs,const Lattice<right> &rhs) -> Lattice<decltype(lhs+rhs._odata[0])>
     {
       Lattice<decltype(lhs+rhs._odata[0])> ret(rhs._grid);
-PARALLEL_FOR_LOOP
-      for(int ss=0;ss<rhs._grid->oSites(); ss++){
+      parallel_for(int ss=0;ss<rhs._grid->oSites(); ss++){
 	decltype(lhs+rhs._odata[0]) tmp =lhs-rhs._odata[ss];  
 	vstream(ret._odata[ss],tmp);
 	//	ret._odata[ss]=lhs+rhs._odata[ss];
@@ -98,11 +95,9 @@ PARALLEL_FOR_LOOP
     inline auto operator - (const left &lhs,const Lattice<right> &rhs) -> Lattice<decltype(lhs-rhs._odata[0])>
   {
     Lattice<decltype(lhs-rhs._odata[0])> ret(rhs._grid);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<rhs._grid->oSites(); ss++){
+    parallel_for(int ss=0;ss<rhs._grid->oSites(); ss++){
       decltype(lhs-rhs._odata[0]) tmp=lhs-rhs._odata[ss];  
       vstream(ret._odata[ss],tmp);
-      //      ret._odata[ss]=lhs-rhs._odata[ss];
     }
     return ret;
   }
@@ -110,8 +105,7 @@ PARALLEL_FOR_LOOP
       inline auto operator * (const Lattice<left> &lhs,const right &rhs) -> Lattice<decltype(lhs._odata[0]*rhs)>
     {
       Lattice<decltype(lhs._odata[0]*rhs)> ret(lhs._grid);
-PARALLEL_FOR_LOOP
-      for(int ss=0;ss<lhs._grid->oSites(); ss++){
+      parallel_for(int ss=0;ss<lhs._grid->oSites(); ss++){
 	decltype(lhs._odata[0]*rhs) tmp =lhs._odata[ss]*rhs;
 	vstream(ret._odata[ss],tmp);
 	//            ret._odata[ss]=lhs._odata[ss]*rhs;
@@ -122,8 +116,7 @@ PARALLEL_FOR_LOOP
       inline auto operator + (const Lattice<left> &lhs,const right &rhs) -> Lattice<decltype(lhs._odata[0]+rhs)>
     {
         Lattice<decltype(lhs._odata[0]+rhs)> ret(lhs._grid);
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<rhs._grid->oSites(); ss++){
+	parallel_for(int ss=0;ss<rhs._grid->oSites(); ss++){
 	  decltype(lhs._odata[0]+rhs) tmp=lhs._odata[ss]+rhs; 
 	  vstream(ret._odata[ss],tmp);
 	  //	  ret._odata[ss]=lhs._odata[ss]+rhs;
@@ -134,15 +127,12 @@ PARALLEL_FOR_LOOP
       inline auto operator - (const Lattice<left> &lhs,const right &rhs) -> Lattice<decltype(lhs._odata[0]-rhs)>
     {
       Lattice<decltype(lhs._odata[0]-rhs)> ret(lhs._grid);
-PARALLEL_FOR_LOOP
-      for(int ss=0;ss<rhs._grid->oSites(); ss++){
+      parallel_for(int ss=0;ss<rhs._grid->oSites(); ss++){
 	  decltype(lhs._odata[0]-rhs) tmp=lhs._odata[ss]-rhs;
 	  vstream(ret._odata[ss],tmp);
 	  //	ret._odata[ss]=lhs._odata[ss]-rhs;
       }
       return ret;
     }
-
-
 }
 #endif

Grid/lattice/Lattice_peekpoke.h

@@ -44,22 +44,20 @@ namespace Grid {
     {
       Lattice<decltype(peekIndex<Index>(lhs._odata[0],i))> ret(lhs._grid);
       ret.checkerboard=lhs.checkerboard;
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<lhs._grid->oSites();ss++){
-	  ret._odata[ss] = peekIndex<Index>(lhs._odata[ss],i);
-        }
-        return ret;
+      parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
+	ret._odata[ss] = peekIndex<Index>(lhs._odata[ss],i);
+      }
+      return ret;
     };
     template<int Index,class vobj>
-       auto PeekIndex(const Lattice<vobj> &lhs,int i,int j) -> Lattice<decltype(peekIndex<Index>(lhs._odata[0],i,j))>
+      auto PeekIndex(const Lattice<vobj> &lhs,int i,int j) -> Lattice<decltype(peekIndex<Index>(lhs._odata[0],i,j))>
     {
       Lattice<decltype(peekIndex<Index>(lhs._odata[0],i,j))> ret(lhs._grid);
       ret.checkerboard=lhs.checkerboard;
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<lhs._grid->oSites();ss++){
-	  ret._odata[ss] = peekIndex<Index>(lhs._odata[ss],i,j);
-        }
-        return ret;
+      parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
+	ret._odata[ss] = peekIndex<Index>(lhs._odata[ss],i,j);
+      }
+      return ret;
     };
 
     ////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -68,25 +66,23 @@ PARALLEL_FOR_LOOP
     template<int Index,class vobj> 
     void PokeIndex(Lattice<vobj> &lhs,const Lattice<decltype(peekIndex<Index>(lhs._odata[0],0))> & rhs,int i)
     {
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<lhs._grid->oSites();ss++){
-	  pokeIndex<Index>(lhs._odata[ss],rhs._odata[ss],i);
-	}      
+      parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
+	pokeIndex<Index>(lhs._odata[ss],rhs._odata[ss],i);
+      }      
     }
     template<int Index,class vobj>
       void PokeIndex(Lattice<vobj> &lhs,const Lattice<decltype(peekIndex<Index>(lhs._odata[0],0,0))> & rhs,int i,int j)
     {
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<lhs._grid->oSites();ss++){
-	  pokeIndex<Index>(lhs._odata[ss],rhs._odata[ss],i,j);
-	}      
+      parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
+	pokeIndex<Index>(lhs._odata[ss],rhs._odata[ss],i,j);
+      }      
     }
 
     //////////////////////////////////////////////////////
     // Poke a scalar object into the SIMD array
     //////////////////////////////////////////////////////
     template<class vobj,class sobj>
-    void pokeSite(const sobj &s,Lattice<vobj> &l,std::vector<int> &site){
+    void pokeSite(const sobj &s,Lattice<vobj> &l,const std::vector<int> &site){
 
       GridBase *grid=l._grid;
 
@@ -120,7 +116,7 @@ PARALLEL_FOR_LOOP
     // Peek a scalar object from the SIMD array
     //////////////////////////////////////////////////////////
     template<class vobj,class sobj>
-      void peekSite(sobj &s,const Lattice<vobj> &l,std::vector<int> &site){
+      void peekSite(sobj &s,const Lattice<vobj> &l,const std::vector<int> &site){
         
       GridBase *grid=l._grid;
 
@@ -131,9 +127,6 @@ PARALLEL_FOR_LOOP
 
       assert( l.checkerboard == l._grid->CheckerBoard(site));
 
-      // FIXME
-      //      assert( sizeof(sobj)*Nsimd == sizeof(vobj));
-
       int rank,odx,idx;
       grid->GlobalCoorToRankIndex(rank,odx,idx,site);
 

Grid/lattice/Lattice_reality.h

@@ -40,8 +40,7 @@ namespace Grid {
 
     template<class vobj> inline Lattice<vobj> adj(const Lattice<vobj> &lhs){
         Lattice<vobj> ret(lhs._grid);
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<lhs._grid->oSites();ss++){
+	parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
             ret._odata[ss] = adj(lhs._odata[ss]);
         }
         return ret;
@@ -49,13 +48,10 @@ PARALLEL_FOR_LOOP
 
     template<class vobj> inline Lattice<vobj> conjugate(const Lattice<vobj> &lhs){
         Lattice<vobj> ret(lhs._grid);
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<lhs._grid->oSites();ss++){
-            ret._odata[ss] = conjugate(lhs._odata[ss]);
+	parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
+	  ret._odata[ss] = conjugate(lhs._odata[ss]);
         }
         return ret;
     };
-
-
 }
 #endif

Grid/lattice/Lattice_reduction.h

@@ -0,0 +1,733 @@
+/*************************************************************************************
+    Grid physics library, www.github.com/paboyle/Grid 
+    Source file: ./lib/lattice/Lattice_reduction.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_LATTICE_REDUCTION_H
+#define GRID_LATTICE_REDUCTION_H
+
+#include <Grid/Grid_Eigen_Dense.h>
+
+namespace Grid {
+#ifdef GRID_WARN_SUBOPTIMAL
+#warning "Optimisation alert all these reduction loops are NOT threaded "
+#endif     
+
+  ////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Deterministic Reduction operations
+  ////////////////////////////////////////////////////////////////////////////////////////////////////
+template<class vobj> inline RealD norm2(const Lattice<vobj> &arg){
+  auto nrm = innerProduct(arg,arg);
+  return std::real(nrm); 
+}
+
+// Double inner product
+template<class vobj>
+inline ComplexD innerProduct(const Lattice<vobj> &left,const Lattice<vobj> &right)
+{
+  typedef typename vobj::scalar_type scalar_type;
+  typedef typename vobj::vector_typeD vector_type;
+  GridBase *grid = left._grid;
+  const int pad = 8;
+
+  ComplexD  inner;
+  Vector<ComplexD> sumarray(grid->SumArraySize()*pad);
+
+  parallel_for(int thr=0;thr<grid->SumArraySize();thr++){
+    int nwork, mywork, myoff;
+    GridThread::GetWork(left._grid->oSites(),thr,mywork,myoff);
+    
+    decltype(innerProductD(left._odata[0],right._odata[0])) vinner=zero; // private to thread; sub summation
+    for(int ss=myoff;ss<mywork+myoff; ss++){
+      vinner = vinner + innerProductD(left._odata[ss],right._odata[ss]);
+    }
+    // All threads sum across SIMD; reduce serial work at end
+    // one write per cacheline with streaming store
+    ComplexD tmp = Reduce(TensorRemove(vinner)) ;
+    vstream(sumarray[thr*pad],tmp);
+  }
+  
+  inner=0.0;
+  for(int i=0;i<grid->SumArraySize();i++){
+    inner = inner+sumarray[i*pad];
+  } 
+  right._grid->GlobalSum(inner);
+  return inner;
+}
+
+/////////////////////////
+// Fast axpby_norm
+// z = a x + b y
+// return norm z
+/////////////////////////
+template<class sobj,class vobj> strong_inline RealD 
+axpy_norm_fast(Lattice<vobj> &z,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &y) 
+{
+  sobj one(1.0);
+  return axpby_norm_fast(z,a,one,x,y);
+}
+
+template<class sobj,class vobj> strong_inline RealD 
+axpby_norm_fast(Lattice<vobj> &z,sobj a,sobj b,const Lattice<vobj> &x,const Lattice<vobj> &y) 
+{
+  const int pad = 8;
+  z.checkerboard = x.checkerboard;
+  conformable(z,x);
+  conformable(x,y);
+
+  typedef typename vobj::scalar_type scalar_type;
+  typedef typename vobj::vector_typeD vector_type;
+  RealD  nrm;
+  
+  GridBase *grid = x._grid;
+  
+  Vector<RealD> sumarray(grid->SumArraySize()*pad);
+  
+  parallel_for(int thr=0;thr<grid->SumArraySize();thr++){
+    int nwork, mywork, myoff;
+    GridThread::GetWork(x._grid->oSites(),thr,mywork,myoff);
+    
+    // private to thread; sub summation
+    decltype(innerProductD(z._odata[0],z._odata[0])) vnrm=zero; 
+    for(int ss=myoff;ss<mywork+myoff; ss++){
+      vobj tmp = a*x._odata[ss]+b*y._odata[ss];
+      vnrm = vnrm + innerProductD(tmp,tmp);
+      vstream(z._odata[ss],tmp);
+    }
+    vstream(sumarray[thr*pad],real(Reduce(TensorRemove(vnrm)))) ;
+  }
+  
+  nrm = 0.0; // sum across threads; linear in thread count but fast
+  for(int i=0;i<grid->SumArraySize();i++){
+    nrm = nrm+sumarray[i*pad];
+  } 
+  z._grid->GlobalSum(nrm);
+  return nrm; 
+}
+
+ 
+template<class Op,class T1>
+inline auto sum(const LatticeUnaryExpression<Op,T1> & expr)
+  ->typename decltype(expr.first.func(eval(0,std::get<0>(expr.second))))::scalar_object
+{
+  return sum(closure(expr));
+}
+
+template<class Op,class T1,class T2>
+inline auto sum(const LatticeBinaryExpression<Op,T1,T2> & expr)
+      ->typename decltype(expr.first.func(eval(0,std::get<0>(expr.second)),eval(0,std::get<1>(expr.second))))::scalar_object
+{
+  return sum(closure(expr));
+}
+
+
+template<class Op,class T1,class T2,class T3>
+inline auto sum(const LatticeTrinaryExpression<Op,T1,T2,T3> & expr)
+  ->typename decltype(expr.first.func(eval(0,std::get<0>(expr.second)),
+				      eval(0,std::get<1>(expr.second)),
+				      eval(0,std::get<2>(expr.second))
+				      ))::scalar_object
+{
+  return sum(closure(expr));
+}
+
+template<class vobj>
+inline typename vobj::scalar_object sum(const Lattice<vobj> &arg)
+{
+  GridBase *grid=arg._grid;
+  int Nsimd = grid->Nsimd();
+  
+  std::vector<vobj,alignedAllocator<vobj> > sumarray(grid->SumArraySize());
+  for(int i=0;i<grid->SumArraySize();i++){
+    sumarray[i]=zero;
+  }
+  
+  parallel_for(int thr=0;thr<grid->SumArraySize();thr++){
+    int nwork, mywork, myoff;
+    GridThread::GetWork(grid->oSites(),thr,mywork,myoff);
+    
+    vobj vvsum=zero;
+    for(int ss=myoff;ss<mywork+myoff; ss++){
+      vvsum = vvsum + arg._odata[ss];
+    }
+    sumarray[thr]=vvsum;
+  }
+  
+  vobj vsum=zero;  // sum across threads
+  for(int i=0;i<grid->SumArraySize();i++){
+    vsum = vsum+sumarray[i];
+  } 
+  
+  typedef typename vobj::scalar_object sobj;
+  sobj ssum=zero;
+  
+  std::vector<sobj>               buf(Nsimd);
+  extract(vsum,buf);
+  
+  for(int i=0;i<Nsimd;i++) ssum = ssum + buf[i];
+  arg._grid->GlobalSum(ssum);
+  
+  return ssum;
+}
+
+
+//////////////////////////////////////////////////////////////////////////////////////////////////////////////
+// sliceSum, sliceInnerProduct, sliceAxpy, sliceNorm etc...
+//////////////////////////////////////////////////////////////////////////////////////////////////////////////
+
+template<class vobj> inline void sliceSum(const Lattice<vobj> &Data,std::vector<typename vobj::scalar_object> &result,int orthogdim)
+{
+  ///////////////////////////////////////////////////////
+  // FIXME precision promoted summation
+  // may be important for correlation functions
+  // But easily avoided by using double precision fields
+  ///////////////////////////////////////////////////////
+  typedef typename vobj::scalar_object sobj;
+  GridBase  *grid = Data._grid;
+  assert(grid!=NULL);
+
+  const int    Nd = grid->_ndimension;
+  const int Nsimd = grid->Nsimd();
+
+  assert(orthogdim >= 0);
+  assert(orthogdim < Nd);
+
+  int fd=grid->_fdimensions[orthogdim];
+  int ld=grid->_ldimensions[orthogdim];
+  int rd=grid->_rdimensions[orthogdim];
+
+  std::vector<vobj,alignedAllocator<vobj> > lvSum(rd); // will locally sum vectors first
+  std::vector<sobj> lsSum(ld,zero);                    // sum across these down to scalars
+  std::vector<sobj> extracted(Nsimd);                  // splitting the SIMD
+
+  result.resize(fd); // And then global sum to return the same vector to every node 
+  for(int r=0;r<rd;r++){
+    lvSum[r]=zero;
+  }
+
+  int e1=    grid->_slice_nblock[orthogdim];
+  int e2=    grid->_slice_block [orthogdim];
+  int stride=grid->_slice_stride[orthogdim];
+
+  // sum over reduced dimension planes, breaking out orthog dir
+  // Parallel over orthog direction
+  parallel_for(int r=0;r<rd;r++){
+
+    int so=r*grid->_ostride[orthogdim]; // base offset for start of plane 
+
+    for(int n=0;n<e1;n++){
+      for(int b=0;b<e2;b++){
+	int ss= so+n*stride+b;
+	lvSum[r]=lvSum[r]+Data._odata[ss];
+      }
+    }
+  }
+
+  // Sum across simd lanes in the plane, breaking out orthog dir.
+  std::vector<int> icoor(Nd);
+
+  for(int rt=0;rt<rd;rt++){
+
+    extract(lvSum[rt],extracted);
+
+    for(int idx=0;idx<Nsimd;idx++){
+
+      grid->iCoorFromIindex(icoor,idx);
+
+      int ldx =rt+icoor[orthogdim]*rd;
+
+      lsSum[ldx]=lsSum[ldx]+extracted[idx];
+
+    }
+  }
+  
+  // sum over nodes.
+  sobj gsum;
+  for(int t=0;t<fd;t++){
+    int pt = t/ld; // processor plane
+    int lt = t%ld;
+    if ( pt == grid->_processor_coor[orthogdim] ) {
+      gsum=lsSum[lt];
+    } else {
+      gsum=zero;
+    }
+
+    grid->GlobalSum(gsum);
+
+    result[t]=gsum;
+  }
+}
+
+template<class vobj>
+static void mySliceInnerProductVector( std::vector<ComplexD> & result, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int orthogdim)
+{
+  // std::cout << GridLogMessage << "Start mySliceInnerProductVector" << std::endl;
+
+  typedef typename vobj::scalar_type scalar_type;
+  std::vector<scalar_type> lsSum;
+  localSliceInnerProductVector(result, lhs, rhs, lsSum, orthogdim);
+  globalSliceInnerProductVector(result, lhs, lsSum, orthogdim);
+  // std::cout << GridLogMessage << "End mySliceInnerProductVector" << std::endl;
+}
+
+template <class vobj>
+static void localSliceInnerProductVector(std::vector<ComplexD> &result, const Lattice<vobj> &lhs, const Lattice<vobj> &rhs, std::vector<typename vobj::scalar_type> &lsSum, int orthogdim)
+{
+  // std::cout << GridLogMessage << "Start prep" << std::endl;
+  typedef typename vobj::vector_type   vector_type;
+  typedef typename vobj::scalar_type   scalar_type;
+  GridBase  *grid = lhs._grid;
+  assert(grid!=NULL);
+  conformable(grid,rhs._grid);
+
+  const int    Nd = grid->_ndimension;
+  const int Nsimd = grid->Nsimd();
+
+  assert(orthogdim >= 0);
+  assert(orthogdim < Nd);
+
+  int fd=grid->_fdimensions[orthogdim];
+  int ld=grid->_ldimensions[orthogdim];
+  int rd=grid->_rdimensions[orthogdim];
+  // std::cout << GridLogMessage << "Start alloc" << std::endl;
+
+  std::vector<vector_type,alignedAllocator<vector_type> > lvSum(rd); // will locally sum vectors first
+  lsSum.resize(ld,scalar_type(0.0));                    // sum across these down to scalars
+  std::vector<iScalar<scalar_type>> extracted(Nsimd);   // splitting the SIMD  
+  // std::cout << GridLogMessage << "End alloc" << std::endl;
+
+  result.resize(fd); // And then global sum to return the same vector to every node for IO to file
+  for(int r=0;r<rd;r++){
+    lvSum[r]=zero;
+  }
+
+  int e1=    grid->_slice_nblock[orthogdim];
+  int e2=    grid->_slice_block [orthogdim];
+  int stride=grid->_slice_stride[orthogdim];
+  // std::cout << GridLogMessage << "End prep" << std::endl;
+  // std::cout << GridLogMessage << "Start parallel inner product, _rd = " << rd << std::endl;
+  vector_type vv;
+  parallel_for(int r=0;r<rd;r++)
+  {
+
+    int so=r*grid->_ostride[orthogdim]; // base offset for start of plane 
+
+    for(int n=0;n<e1;n++){
+      for(int b=0;b<e2;b++){
+        int ss = so + n * stride + b;
+        vv = TensorRemove(innerProduct(lhs._odata[ss], rhs._odata[ss]));
+        lvSum[r] = lvSum[r] + vv;
+      }
+    }
+  }
+  // std::cout << GridLogMessage << "End parallel inner product" << std::endl;
+
+  // Sum across simd lanes in the plane, breaking out orthog dir.
+  std::vector<int> icoor(Nd);
+  for(int rt=0;rt<rd;rt++){
+
+    iScalar<vector_type> temp; 
+    temp._internal = lvSum[rt];
+    extract(temp,extracted);
+
+    for(int idx=0;idx<Nsimd;idx++){
+
+      grid->iCoorFromIindex(icoor,idx);
+
+      int ldx =rt+icoor[orthogdim]*rd;
+
+      lsSum[ldx]=lsSum[ldx]+extracted[idx]._internal;
+
+    }
+  }
+  // std::cout << GridLogMessage << "End sum over simd lanes" << std::endl;
+}
+template <class vobj>
+static void globalSliceInnerProductVector(std::vector<ComplexD> &result, const Lattice<vobj> &lhs, std::vector<typename vobj::scalar_type> &lsSum, int orthogdim)
+{
+  typedef typename vobj::scalar_type scalar_type;
+  GridBase *grid = lhs._grid;
+  int fd = result.size();
+  int ld = lsSum.size();
+  // sum over nodes.
+  std::vector<scalar_type> gsum;
+  gsum.resize(fd, scalar_type(0.0));
+  // std::cout << GridLogMessage << "Start of gsum[t] creation:" << std::endl;
+  for(int t=0;t<fd;t++){
+    int pt = t/ld; // processor plane
+    int lt = t%ld;
+    if ( pt == grid->_processor_coor[orthogdim] ) {
+      gsum[t]=lsSum[lt];
+    }
+  }
+  // std::cout << GridLogMessage << "End of gsum[t] creation:" << std::endl;
+  // std::cout << GridLogMessage << "Start of GlobalSumVector:" << std::endl;
+  grid->GlobalSumVector(&gsum[0], fd);
+  // std::cout << GridLogMessage << "End of GlobalSumVector:" << std::endl;
+
+  result = gsum;
+}
+template<class vobj>
+static void sliceInnerProductVector( std::vector<ComplexD> & result, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int orthogdim) 
+{
+  typedef typename vobj::vector_type   vector_type;
+  typedef typename vobj::scalar_type   scalar_type;
+  GridBase  *grid = lhs._grid;
+  assert(grid!=NULL);
+  conformable(grid,rhs._grid);
+
+  const int    Nd = grid->_ndimension;
+  const int Nsimd = grid->Nsimd();
+
+  assert(orthogdim >= 0);
+  assert(orthogdim < Nd);
+
+  int fd=grid->_fdimensions[orthogdim];
+  int ld=grid->_ldimensions[orthogdim];
+  int rd=grid->_rdimensions[orthogdim];
+
+  std::vector<vector_type,alignedAllocator<vector_type> > lvSum(rd); // will locally sum vectors first
+  std::vector<scalar_type > lsSum(ld,scalar_type(0.0));                    // sum across these down to scalars
+  std::vector<iScalar<scalar_type> > extracted(Nsimd);                  // splitting the SIMD
+
+  result.resize(fd); // And then global sum to return the same vector to every node for IO to file
+  for(int r=0;r<rd;r++){
+    lvSum[r]=zero;
+  }
+
+  int e1=    grid->_slice_nblock[orthogdim];
+  int e2=    grid->_slice_block [orthogdim];
+  int stride=grid->_slice_stride[orthogdim];
+
+  parallel_for(int r=0;r<rd;r++){
+
+    int so=r*grid->_ostride[orthogdim]; // base offset for start of plane 
+
+    for(int n=0;n<e1;n++){
+      for(int b=0;b<e2;b++){
+	int ss= so+n*stride+b;
+	vector_type vv = TensorRemove(innerProduct(lhs._odata[ss],rhs._odata[ss]));
+	lvSum[r]=lvSum[r]+vv;
+      }
+    }
+  }
+
+  // Sum across simd lanes in the plane, breaking out orthog dir.
+  std::vector<int> icoor(Nd);
+  for(int rt=0;rt<rd;rt++){
+
+    iScalar<vector_type> temp; 
+    temp._internal = lvSum[rt];
+    extract(temp,extracted);
+
+    for(int idx=0;idx<Nsimd;idx++){
+
+      grid->iCoorFromIindex(icoor,idx);
+
+      int ldx =rt+icoor[orthogdim]*rd;
+
+      lsSum[ldx]=lsSum[ldx]+extracted[idx]._internal;
+
+    }
+  }
+  
+  // sum over nodes.
+  scalar_type gsum;
+  for(int t=0;t<fd;t++){
+    int pt = t/ld; // processor plane
+    int lt = t%ld;
+    if ( pt == grid->_processor_coor[orthogdim] ) {
+      gsum=lsSum[lt];
+    } else {
+      gsum=scalar_type(0.0);
+    }
+
+    grid->GlobalSum(gsum);
+
+    result[t]=gsum;
+  }
+}
+template<class vobj>
+static void sliceNorm (std::vector<RealD> &sn,const Lattice<vobj> &rhs,int Orthog) 
+{
+  typedef typename vobj::scalar_object sobj;
+  typedef typename vobj::scalar_type scalar_type;
+  typedef typename vobj::vector_type vector_type;
+  
+  int Nblock = rhs._grid->GlobalDimensions()[Orthog];
+  std::vector<ComplexD> ip(Nblock);
+  sn.resize(Nblock);
+  
+  sliceInnerProductVector(ip,rhs,rhs,Orthog);
+  for(int ss=0;ss<Nblock;ss++){
+    sn[ss] = real(ip[ss]);
+  }
+};
+
+
+template<class vobj>
+static void sliceMaddVector(Lattice<vobj> &R,std::vector<RealD> &a,const Lattice<vobj> &X,const Lattice<vobj> &Y,
+			    int orthogdim,RealD scale=1.0) 
+{    
+  typedef typename vobj::scalar_object sobj;
+  typedef typename vobj::scalar_type scalar_type;
+  typedef typename vobj::vector_type vector_type;
+  typedef typename vobj::tensor_reduced tensor_reduced;
+  
+  scalar_type zscale(scale);
+
+  GridBase *grid  = X._grid;
+
+  int Nsimd  =grid->Nsimd();
+  int Nblock =grid->GlobalDimensions()[orthogdim];
+
+  int fd     =grid->_fdimensions[orthogdim];
+  int ld     =grid->_ldimensions[orthogdim];
+  int rd     =grid->_rdimensions[orthogdim];
+
+  int e1     =grid->_slice_nblock[orthogdim];
+  int e2     =grid->_slice_block [orthogdim];
+  int stride =grid->_slice_stride[orthogdim];
+
+  std::vector<int> icoor;
+
+  for(int r=0;r<rd;r++){
+
+    int so=r*grid->_ostride[orthogdim]; // base offset for start of plane 
+
+    vector_type    av;
+
+    for(int l=0;l<Nsimd;l++){
+      grid->iCoorFromIindex(icoor,l);
+      int ldx =r+icoor[orthogdim]*rd;
+      scalar_type *as =(scalar_type *)&av;
+      as[l] = scalar_type(a[ldx])*zscale;
+    }
+
+    tensor_reduced at; at=av;
+
+    parallel_for_nest2(int n=0;n<e1;n++){
+      for(int b=0;b<e2;b++){
+	int ss= so+n*stride+b;
+	R._odata[ss] = at*X._odata[ss]+Y._odata[ss];
+      }
+    }
+  }
+};
+
+/*
+inline GridBase         *makeSubSliceGrid(const GridBase *BlockSolverGrid,int Orthog)
+{
+  int NN    = BlockSolverGrid->_ndimension;
+  int nsimd = BlockSolverGrid->Nsimd();
+  
+  std::vector<int> latt_phys(0);
+  std::vector<int> simd_phys(0);
+  std::vector<int>  mpi_phys(0);
+  
+  for(int d=0;d<NN;d++){
+    if( d!=Orthog ) { 
+      latt_phys.push_back(BlockSolverGrid->_fdimensions[d]);
+      simd_phys.push_back(BlockSolverGrid->_simd_layout[d]);
+      mpi_phys.push_back(BlockSolverGrid->_processors[d]);
+    }
+  }
+  return (GridBase *)new GridCartesian(latt_phys,simd_phys,mpi_phys); 
+}
+*/
+
+template<class vobj>
+static void sliceMaddMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<vobj> &X,const Lattice<vobj> &Y,int Orthog,RealD scale=1.0) 
+{    
+  typedef typename vobj::scalar_object sobj;
+  typedef typename vobj::scalar_type scalar_type;
+  typedef typename vobj::vector_type vector_type;
+
+  int Nblock = X._grid->GlobalDimensions()[Orthog];
+
+  GridBase *FullGrid  = X._grid;
+  //  GridBase *SliceGrid = makeSubSliceGrid(FullGrid,Orthog);
+
+  //  Lattice<vobj> Xslice(SliceGrid);
+  //  Lattice<vobj> Rslice(SliceGrid);
+
+  assert( FullGrid->_simd_layout[Orthog]==1);
+  int nh =  FullGrid->_ndimension;
+  //  int nl = SliceGrid->_ndimension;
+  int nl = nh-1;
+
+  //FIXME package in a convenient iterator
+  //Should loop over a plane orthogonal to direction "Orthog"
+  int stride=FullGrid->_slice_stride[Orthog];
+  int block =FullGrid->_slice_block [Orthog];
+  int nblock=FullGrid->_slice_nblock[Orthog];
+  int ostride=FullGrid->_ostride[Orthog];
+#pragma omp parallel 
+  {
+    std::vector<vobj> s_x(Nblock);
+
+#pragma omp for collapse(2)
+    for(int n=0;n<nblock;n++){
+    for(int b=0;b<block;b++){
+      int o  = n*stride + b;
+
+      for(int i=0;i<Nblock;i++){
+	s_x[i] = X[o+i*ostride];
+      }
+
+      vobj dot;
+      for(int i=0;i<Nblock;i++){
+	dot = Y[o+i*ostride];
+	for(int j=0;j<Nblock;j++){
+	  dot = dot + s_x[j]*(scale*aa(j,i));
+	}
+	R[o+i*ostride]=dot;
+      }
+    }}
+  }
+};
+
+template<class vobj>
+static void sliceMulMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<vobj> &X,int Orthog,RealD scale=1.0) 
+{    
+  typedef typename vobj::scalar_object sobj;
+  typedef typename vobj::scalar_type scalar_type;
+  typedef typename vobj::vector_type vector_type;
+
+  int Nblock = X._grid->GlobalDimensions()[Orthog];
+
+  GridBase *FullGrid  = X._grid;
+  //  GridBase *SliceGrid = makeSubSliceGrid(FullGrid,Orthog);
+  //  Lattice<vobj> Xslice(SliceGrid);
+  //  Lattice<vobj> Rslice(SliceGrid);
+
+  assert( FullGrid->_simd_layout[Orthog]==1);
+  int nh =  FullGrid->_ndimension;
+  //  int nl = SliceGrid->_ndimension;
+  int nl=1;
+
+  //FIXME package in a convenient iterator
+  //Should loop over a plane orthogonal to direction "Orthog"
+  int stride=FullGrid->_slice_stride[Orthog];
+  int block =FullGrid->_slice_block [Orthog];
+  int nblock=FullGrid->_slice_nblock[Orthog];
+  int ostride=FullGrid->_ostride[Orthog];
+#pragma omp parallel 
+  {
+    std::vector<vobj> s_x(Nblock);
+
+#pragma omp for collapse(2)
+    for(int n=0;n<nblock;n++){
+    for(int b=0;b<block;b++){
+      int o  = n*stride + b;
+
+      for(int i=0;i<Nblock;i++){
+	s_x[i] = X[o+i*ostride];
+      }
+
+      vobj dot;
+      for(int i=0;i<Nblock;i++){
+	dot = s_x[0]*(scale*aa(0,i));
+	for(int j=1;j<Nblock;j++){
+	  dot = dot + s_x[j]*(scale*aa(j,i));
+	}
+	R[o+i*ostride]=dot;
+      }
+    }}
+  }
+
+};
+
+
+template<class vobj>
+static void sliceInnerProductMatrix(  Eigen::MatrixXcd &mat, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int Orthog) 
+{
+  typedef typename vobj::scalar_object sobj;
+  typedef typename vobj::scalar_type scalar_type;
+  typedef typename vobj::vector_type vector_type;
+  
+  GridBase *FullGrid  = lhs._grid;
+  //  GridBase *SliceGrid = makeSubSliceGrid(FullGrid,Orthog);
+  
+  int Nblock = FullGrid->GlobalDimensions()[Orthog];
+  
+  //  Lattice<vobj> Lslice(SliceGrid);
+  //  Lattice<vobj> Rslice(SliceGrid);
+  
+  mat = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+
+  assert( FullGrid->_simd_layout[Orthog]==1);
+  int nh =  FullGrid->_ndimension;
+  //  int nl = SliceGrid->_ndimension;
+  int nl = nh-1;
+
+  //FIXME package in a convenient iterator
+  //Should loop over a plane orthogonal to direction "Orthog"
+  int stride=FullGrid->_slice_stride[Orthog];
+  int block =FullGrid->_slice_block [Orthog];
+  int nblock=FullGrid->_slice_nblock[Orthog];
+  int ostride=FullGrid->_ostride[Orthog];
+
+  typedef typename vobj::vector_typeD vector_typeD;
+
+#pragma omp parallel 
+  {
+    std::vector<vobj> Left(Nblock);
+    std::vector<vobj> Right(Nblock);
+    Eigen::MatrixXcd  mat_thread = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+
+#pragma omp for collapse(2)
+    for(int n=0;n<nblock;n++){
+    for(int b=0;b<block;b++){
+
+      int o  = n*stride + b;
+
+      for(int i=0;i<Nblock;i++){
+	Left [i] = lhs[o+i*ostride];
+	Right[i] = rhs[o+i*ostride];
+      }
+
+      for(int i=0;i<Nblock;i++){
+      for(int j=0;j<Nblock;j++){
+	auto tmp = innerProduct(Left[i],Right[j]);
+	auto rtmp = TensorRemove(tmp);
+	mat_thread(i,j) += Reduce(rtmp);
+      }}
+    }}
+#pragma omp critical
+    {
+      mat += mat_thread;
+    }  
+  }
+
+  for(int i=0;i<Nblock;i++){
+  for(int j=0;j<Nblock;j++){
+    ComplexD sum = mat(i,j);
+    FullGrid->GlobalSum(sum);
+    mat(i,j)=sum;
+  }}
+
+  return;
+}
+
+} /*END NAMESPACE GRID*/
+#endif
+
+
+

Grid/lattice/Lattice_rng.h

@@ -0,0 +1,520 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/lattice/Lattice_rng.h
+
+    Copyright (C) 2015
+
+    Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+    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 GRID_LATTICE_RNG_H
+#define GRID_LATTICE_RNG_H
+
+#include <random>
+
+#ifdef RNG_SITMO
+#include <Grid/sitmo_rng/sitmo_prng_engine.hpp>
+#endif 
+
+#if defined(RNG_SITMO)
+#define RNG_FAST_DISCARD
+#else 
+#undef  RNG_FAST_DISCARD
+#endif
+
+namespace Grid {
+
+  //////////////////////////////////////////////////////////////
+  // Allow the RNG state to be less dense than the fine grid
+  //////////////////////////////////////////////////////////////
+  inline int RNGfillable(GridBase *coarse,GridBase *fine)
+  {
+
+    int rngdims = coarse->_ndimension;
+
+    // trivially extended in higher dims, with locality guaranteeing RNG state is local to node
+    int lowerdims   = fine->_ndimension - coarse->_ndimension;
+    assert(lowerdims >= 0);
+    for(int d=0;d<lowerdims;d++){
+      assert(fine->_simd_layout[d]==1);
+      assert(fine->_processors[d]==1);
+    }
+
+    int multiplicity=1;
+    for(int d=0;d<lowerdims;d++){
+      multiplicity=multiplicity*fine->_rdimensions[d];
+    }
+    // local and global volumes subdivide cleanly after SIMDization
+    for(int d=0;d<rngdims;d++){
+      int fd= d+lowerdims;
+      assert(coarse->_processors[d]  == fine->_processors[fd]);
+      assert(coarse->_simd_layout[d] == fine->_simd_layout[fd]);
+      assert(((fine->_rdimensions[fd] / coarse->_rdimensions[d])* coarse->_rdimensions[d])==fine->_rdimensions[fd]); 
+
+      multiplicity = multiplicity *fine->_rdimensions[fd] / coarse->_rdimensions[d]; 
+    }
+    return multiplicity;
+  }
+
+  
+// merge of April 11 2017
+  // this function is necessary for the LS vectorised field
+  inline int RNGfillable_general(GridBase *coarse,GridBase *fine)
+  {
+    int rngdims = coarse->_ndimension;
+    
+    // trivially extended in higher dims, with locality guaranteeing RNG state is local to node
+    int lowerdims   = fine->_ndimension - coarse->_ndimension;  assert(lowerdims >= 0);
+    // assumes that the higher dimensions are not using more processors
+    // all further divisions are local
+    for(int d=0;d<lowerdims;d++) assert(fine->_processors[d]==1);
+    for(int d=0;d<rngdims;d++) assert(coarse->_processors[d] == fine->_processors[d+lowerdims]);
+
+    // then divide the number of local sites
+    // check that the total number of sims agree, meanse the iSites are the same
+    assert(fine->Nsimd() == coarse->Nsimd());
+
+    // check that the two grids divide cleanly
+    assert( (fine->lSites() / coarse->lSites() ) * coarse->lSites() == fine->lSites() );
+
+    return fine->lSites() / coarse->lSites();
+  }
+  
+  // real scalars are one component
+  template<class scalar,class distribution,class generator> 
+  void fillScalar(scalar &s,distribution &dist,generator & gen)
+  {
+    s=dist(gen);
+  }
+  template<class distribution,class generator> 
+  void fillScalar(ComplexF &s,distribution &dist, generator &gen)
+  {
+    s=ComplexF(dist(gen),dist(gen));
+  }
+  template<class distribution,class generator> 
+  void fillScalar(ComplexD &s,distribution &dist,generator &gen)
+  {
+    s=ComplexD(dist(gen),dist(gen));
+  }
+  
+  class GridRNGbase {
+  public:
+    // One generator per site.
+    // Uniform and Gaussian distributions from these generators.
+#ifdef RNG_RANLUX
+    typedef std::ranlux48 RngEngine;
+    typedef uint64_t      RngStateType;
+    static const int RngStateCount = 15;
+#endif 
+#ifdef RNG_MT19937 
+    typedef std::mt19937 RngEngine;
+    typedef uint32_t     RngStateType;
+    static const int     RngStateCount = std::mt19937::state_size;
+#endif
+#ifdef RNG_SITMO
+    typedef sitmo::prng_engine 	RngEngine;
+    typedef uint64_t    	RngStateType;
+    static const int    	RngStateCount = 13;
+#endif
+
+    std::vector<RngEngine>                             _generators;
+    std::vector<std::uniform_real_distribution<RealD> > _uniform;
+    std::vector<std::normal_distribution<RealD> >       _gaussian;
+    std::vector<std::discrete_distribution<int32_t> >   _bernoulli;
+    std::vector<std::uniform_int_distribution<uint32_t> > _uid;
+
+    ///////////////////////
+    // support for parallel init
+    ///////////////////////
+#ifdef RNG_FAST_DISCARD
+    static void Skip(RngEngine &eng,uint64_t site)
+    {
+      /////////////////////////////////////////////////////////////////////////////////////
+      // Skip by 2^40 elements between successive lattice sites
+      // This goes by 10^12.
+      // Consider quenched updating; likely never exceeding rate of 1000 sweeps
+      // per second on any machine. This gives us of order 10^9 seconds, or 100 years
+      // skip ahead.
+      // For HMC unlikely to go at faster than a solve per second, and 
+      // tens of seconds per trajectory so this is clean in all reasonable cases,
+      // and margin of safety is orders of magnitude.
+      // We could hack Sitmo to skip in the higher order words of state if necessary
+      //
+      // Replace with 2^30 ; avoid problem on large volumes
+      //
+      /////////////////////////////////////////////////////////////////////////////////////
+      //      uint64_t skip = site+1;  //   Old init Skipped then drew.  Checked compat with faster init
+      const int shift = 30;
+
+      uint64_t skip = site;
+
+      skip = skip<<shift;
+
+      assert((skip >> shift)==site); // check for overflow
+
+      eng.discard(skip);
+      //      std::cout << " Engine  " <<site << " state " <<eng<<std::endl;
+    } 
+#endif
+    static RngEngine Reseed(RngEngine &eng)
+    {
+      std::vector<uint32_t> newseed;
+      std::uniform_int_distribution<uint32_t> uid;
+      return Reseed(eng,newseed,uid);
+    }
+    static RngEngine Reseed(RngEngine &eng,std::vector<uint32_t> & newseed,
+			    std::uniform_int_distribution<uint32_t> &uid)
+    {
+      const int reseeds=4;
+      
+      newseed.resize(reseeds);
+      for(int i=0;i<reseeds;i++){
+	newseed[i] = uid(eng);
+      }
+      std::seed_seq sseq(newseed.begin(),newseed.end());
+      return RngEngine(sseq);
+    }    
+
+    void GetState(std::vector<RngStateType> & saved,RngEngine &eng) {
+      saved.resize(RngStateCount);
+      std::stringstream ss;
+      ss<<eng;
+      ss.seekg(0,ss.beg);
+      for(int i=0;i<RngStateCount;i++){
+        ss>>saved[i];
+      }
+    }
+    void GetState(std::vector<RngStateType> & saved,int gen) {
+      GetState(saved,_generators[gen]);
+    }
+    void SetState(std::vector<RngStateType> & saved,RngEngine &eng){
+      assert(saved.size()==RngStateCount);
+      std::stringstream ss;
+      for(int i=0;i<RngStateCount;i++){
+        ss<< saved[i]<<" ";
+      }
+      ss.seekg(0,ss.beg);
+      ss>>eng;
+    }
+    void SetState(std::vector<RngStateType> & saved,int gen){
+      SetState(saved,_generators[gen]);
+    }
+    void SetEngine(RngEngine &Eng, int gen){
+      _generators[gen]=Eng;
+    }
+    void GetEngine(RngEngine &Eng, int gen){
+      Eng=_generators[gen];
+    }
+    template<class source> void Seed(source &src, int gen)
+    {
+      _generators[gen] = RngEngine(src);
+    }    
+  };
+
+  class GridSerialRNG : public GridRNGbase {
+  public:
+
+    GridSerialRNG() : GridRNGbase() {
+      _generators.resize(1);
+      _uniform.resize(1,std::uniform_real_distribution<RealD>{0,1});
+      _gaussian.resize(1,std::normal_distribution<RealD>(0.0,1.0) );
+      _bernoulli.resize(1,std::discrete_distribution<int32_t>{1,1});
+      _uid.resize(1,std::uniform_int_distribution<uint32_t>() );
+    }
+
+    template <class sobj,class distribution> inline void fill(sobj &l,std::vector<distribution> &dist){
+
+      typedef typename sobj::scalar_type scalar_type;
+ 
+      int words = sizeof(sobj)/sizeof(scalar_type);
+
+      scalar_type *buf = (scalar_type *) & l;
+
+      dist[0].reset();
+      for(int idx=0;idx<words;idx++){
+	fillScalar(buf[idx],dist[0],_generators[0]);
+      }
+
+      CartesianCommunicator::BroadcastWorld(0,(void *)&l,sizeof(l));
+
+    };
+
+    template <class distribution>  inline void fill(ComplexF &l,std::vector<distribution> &dist){
+      dist[0].reset();
+      fillScalar(l,dist[0],_generators[0]);
+      CartesianCommunicator::BroadcastWorld(0,(void *)&l,sizeof(l));
+    }
+    template <class distribution>  inline void fill(ComplexD &l,std::vector<distribution> &dist){
+      dist[0].reset();
+      fillScalar(l,dist[0],_generators[0]);
+      CartesianCommunicator::BroadcastWorld(0,(void *)&l,sizeof(l));
+    }
+    template <class distribution>  inline void fill(RealF &l,std::vector<distribution> &dist){
+      dist[0].reset();
+      fillScalar(l,dist[0],_generators[0]);
+      CartesianCommunicator::BroadcastWorld(0,(void *)&l,sizeof(l));
+    }
+    template <class distribution>  inline void fill(RealD &l,std::vector<distribution> &dist){
+      dist[0].reset();
+      fillScalar(l,dist[0],_generators[0]);
+      CartesianCommunicator::BroadcastWorld(0,(void *)&l,sizeof(l));
+    }
+    // vector fill
+    template <class distribution>  inline void fill(vComplexF &l,std::vector<distribution> &dist){
+      RealF *pointer=(RealF *)&l;
+      dist[0].reset();
+      for(int i=0;i<2*vComplexF::Nsimd();i++){
+	fillScalar(pointer[i],dist[0],_generators[0]);
+      }
+      CartesianCommunicator::BroadcastWorld(0,(void *)&l,sizeof(l));
+    }
+    template <class distribution>  inline void fill(vComplexD &l,std::vector<distribution> &dist){
+      RealD *pointer=(RealD *)&l;
+      dist[0].reset();
+      for(int i=0;i<2*vComplexD::Nsimd();i++){
+	fillScalar(pointer[i],dist[0],_generators[0]);
+      }
+      CartesianCommunicator::BroadcastWorld(0,(void *)&l,sizeof(l));
+    }
+    template <class distribution>  inline void fill(vRealF &l,std::vector<distribution> &dist){
+      RealF *pointer=(RealF *)&l;
+      dist[0].reset();
+      for(int i=0;i<vRealF::Nsimd();i++){
+	fillScalar(pointer[i],dist[0],_generators[0]);
+      }
+      CartesianCommunicator::BroadcastWorld(0,(void *)&l,sizeof(l));
+    }
+    template <class distribution>  inline void fill(vRealD &l,std::vector<distribution> &dist){
+      RealD *pointer=(RealD *)&l;
+      dist[0].reset();
+      for(int i=0;i<vRealD::Nsimd();i++){
+	fillScalar(pointer[i],dist[0],_generators[0]);
+      }
+      CartesianCommunicator::BroadcastWorld(0,(void *)&l,sizeof(l));
+    }
+    
+    void SeedFixedIntegers(const std::vector<int> &seeds){
+      CartesianCommunicator::BroadcastWorld(0,(void *)&seeds[0],sizeof(int)*seeds.size());
+      std::seed_seq src(seeds.begin(),seeds.end());
+      Seed(src,0);
+    }
+
+    void SeedUniqueString(const std::string &s){
+      std::vector<int> seeds;
+      std::stringstream sha;
+      seeds = GridChecksum::sha256_seeds(s);
+      for(int i=0;i<seeds.size();i++) { 
+        sha << std::hex << seeds[i];
+      }
+      std::cout << GridLogMessage << "Intialising serial RNG with unique string '" 
+                << s << "'" << std::endl;
+      std::cout << GridLogMessage << "Seed SHA256: " << sha.str() << std::endl;
+      SeedFixedIntegers(seeds);
+    }
+  };
+
+  class GridParallelRNG : public GridRNGbase {
+
+    double _time_counter;
+
+  public:
+    GridBase *_grid;
+    unsigned int _vol;
+
+    int generator_idx(int os,int is) {
+      return is*_grid->oSites()+os;
+    }
+
+    GridParallelRNG(GridBase *grid) : GridRNGbase() {
+      _grid = grid;
+      _vol  =_grid->iSites()*_grid->oSites();
+
+      _generators.resize(_vol);
+      _uniform.resize(_vol,std::uniform_real_distribution<RealD>{0,1});
+      _gaussian.resize(_vol,std::normal_distribution<RealD>(0.0,1.0) );
+      _bernoulli.resize(_vol,std::discrete_distribution<int32_t>{1,1});
+      _uid.resize(_vol,std::uniform_int_distribution<uint32_t>() );
+    }
+
+    template <class vobj,class distribution> inline void fill(Lattice<vobj> &l,std::vector<distribution> &dist){
+
+      typedef typename vobj::scalar_object scalar_object;
+      typedef typename vobj::scalar_type scalar_type;
+      typedef typename vobj::vector_type vector_type;
+
+      double inner_time_counter = usecond();
+
+      int multiplicity = RNGfillable_general(_grid, l._grid); // l has finer or same grid
+      int Nsimd  = _grid->Nsimd();  // guaranteed to be the same for l._grid too
+      int osites = _grid->oSites();  // guaranteed to be <= l._grid->oSites() by a factor multiplicity
+      int words  = sizeof(scalar_object) / sizeof(scalar_type);
+
+      parallel_for(int ss=0;ss<osites;ss++){
+        std::vector<scalar_object> buf(Nsimd);
+        for (int m = 0; m < multiplicity; m++) {  // Draw from same generator multiplicity times
+
+          int sm = multiplicity * ss + m;  // Maps the generator site to the fine site
+
+          for (int si = 0; si < Nsimd; si++) {
+            
+            int gdx = generator_idx(ss, si);  // index of generator state
+            scalar_type *pointer = (scalar_type *)&buf[si];
+            dist[gdx].reset();
+            for (int idx = 0; idx < words; idx++) 
+              fillScalar(pointer[idx], dist[gdx], _generators[gdx]);
+          }
+          // merge into SIMD lanes, FIXME suboptimal implementation
+          merge(l._odata[sm], buf);
+        }
+      }
+
+      _time_counter += usecond()- inner_time_counter;
+    };
+
+    void SeedUniqueString(const std::string &s){
+      std::vector<int> seeds;
+      std::stringstream sha;
+      seeds = GridChecksum::sha256_seeds(s);
+      for(int i=0;i<seeds.size();i++) { 
+        sha << std::hex << seeds[i];
+      }
+      std::cout << GridLogMessage << "Intialising parallel RNG with unique string '" 
+                << s << "'" << std::endl;
+      std::cout << GridLogMessage << "Seed SHA256: " << sha.str() << std::endl;
+      SeedFixedIntegers(seeds);
+    }
+    void SeedFixedIntegers(const std::vector<int> &seeds){
+
+      // Everyone generates the same seed_seq based on input seeds
+      CartesianCommunicator::BroadcastWorld(0,(void *)&seeds[0],sizeof(int)*seeds.size());
+
+      std::seed_seq source(seeds.begin(),seeds.end());
+
+      RngEngine master_engine(source);
+
+#ifdef RNG_FAST_DISCARD
+      ////////////////////////////////////////////////
+      // Skip ahead through a single stream.
+      // Applicable to SITMO and other has based/crypto RNGs
+      // Should be applicable to Mersenne Twister, but the C++11
+      // MT implementation does not implement fast discard even though
+      // in principle this is possible
+      ////////////////////////////////////////////////
+
+      // Everybody loops over global volume.
+      parallel_for(int gidx=0;gidx<_grid->_gsites;gidx++){
+
+	// Where is it?
+	int rank,o_idx,i_idx;
+	std::vector<int> gcoor;
+
+	_grid->GlobalIndexToGlobalCoor(gidx,gcoor);
+	_grid->GlobalCoorToRankIndex(rank,o_idx,i_idx,gcoor);
+
+	// If this is one of mine we take it
+	if( rank == _grid->ThisRank() ){
+	  int l_idx=generator_idx(o_idx,i_idx);
+	  _generators[l_idx] = master_engine;
+	  Skip(_generators[l_idx],gidx); // Skip to next RNG sequence
+	}
+
+      }
+#else 
+      ////////////////////////////////////////////////////////////////
+      // Machine and thread decomposition dependent seeding is efficient
+      // and maximally parallel; but NOT reproducible from machine to machine. 
+      // Not ideal, but fastest way to reseed all nodes.
+      ////////////////////////////////////////////////////////////////
+      {
+	// Obtain one Reseed per processor
+	int Nproc = _grid->ProcessorCount();
+	std::vector<RngEngine> seeders(Nproc);
+	int me= _grid->ThisRank();
+	for(int p=0;p<Nproc;p++){
+	  seeders[p] = Reseed(master_engine);
+	}
+	master_engine = seeders[me];
+      }
+
+      {
+	// Obtain one reseeded generator per thread
+	int Nthread = GridThread::GetThreads();
+	std::vector<RngEngine> seeders(Nthread);
+	for(int t=0;t<Nthread;t++){
+	  seeders[t] = Reseed(master_engine);
+	}
+
+	parallel_for(int t=0;t<Nthread;t++) {
+	  // set up one per local site in threaded fashion
+	  std::vector<uint32_t> newseeds;
+	  std::uniform_int_distribution<uint32_t> uid;	
+	  for(int l=0;l<_grid->lSites();l++) {
+	    if ( (l%Nthread)==t ) {
+	      _generators[l] = Reseed(seeders[t],newseeds,uid);
+	    }
+	  }
+	}
+      }
+#endif
+    }
+
+    void Report(){
+      std::cout << GridLogMessage << "Time spent in the fill() routine by GridParallelRNG: "<< _time_counter/1e3 << " ms" << std::endl;
+    }
+
+
+    ////////////////////////////////////////////////////////////////////////
+    // Support for rigorous test of RNG's
+    // Return uniform random uint32_t from requested site generator
+    ////////////////////////////////////////////////////////////////////////
+    uint32_t GlobalU01(int gsite){
+
+      uint32_t the_number;
+      // who
+      std::vector<int> gcoor;
+      int rank,o_idx,i_idx;
+      _grid->GlobalIndexToGlobalCoor(gsite,gcoor);
+      _grid->GlobalCoorToRankIndex(rank,o_idx,i_idx,gcoor);
+
+      // draw
+      int l_idx=generator_idx(o_idx,i_idx);
+      if( rank == _grid->ThisRank() ){
+	the_number = _uid[l_idx](_generators[l_idx]);
+      }
+      
+      // share & return
+      _grid->Broadcast(rank,(void *)&the_number,sizeof(the_number));
+      return the_number;
+    }
+
+  };
+
+  template <class vobj> inline void random(GridParallelRNG &rng,Lattice<vobj> &l)   { rng.fill(l,rng._uniform);  }
+  template <class vobj> inline void gaussian(GridParallelRNG &rng,Lattice<vobj> &l) { rng.fill(l,rng._gaussian); }
+  template <class vobj> inline void bernoulli(GridParallelRNG &rng,Lattice<vobj> &l){ rng.fill(l,rng._bernoulli);}
+
+  template <class sobj> inline void random(GridSerialRNG &rng,sobj &l)   { rng.fill(l,rng._uniform  ); }
+  template <class sobj> inline void gaussian(GridSerialRNG &rng,sobj &l) { rng.fill(l,rng._gaussian ); }
+  template <class sobj> inline void bernoulli(GridSerialRNG &rng,sobj &l){ rng.fill(l,rng._bernoulli); }
+
+}
+#endif

Grid/lattice/Lattice_trace.h

@@ -42,8 +42,7 @@ namespace Grid {
       -> Lattice<decltype(trace(lhs._odata[0]))>
     {
       Lattice<decltype(trace(lhs._odata[0]))> ret(lhs._grid);
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<lhs._grid->oSites();ss++){
+      parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
             ret._odata[ss] = trace(lhs._odata[ss]);
         }
         return ret;
@@ -56,8 +55,7 @@ PARALLEL_FOR_LOOP
     inline auto TraceIndex(const Lattice<vobj> &lhs) -> Lattice<decltype(traceIndex<Index>(lhs._odata[0]))>
     {
       Lattice<decltype(traceIndex<Index>(lhs._odata[0]))> ret(lhs._grid);
-PARALLEL_FOR_LOOP
-      for(int ss=0;ss<lhs._grid->oSites();ss++){
+      parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
 	ret._odata[ss] = traceIndex<Index>(lhs._odata[ss]);
       }
       return ret;

Grid/lattice/Lattice_transpose.h

@@ -40,27 +40,24 @@ namespace Grid {
     ////////////////////////////////////////////////////////////////////////////////////////////////////
   template<class vobj>
     inline Lattice<vobj> transpose(const Lattice<vobj> &lhs){
-        Lattice<vobj> ret(lhs._grid);
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<lhs._grid->oSites();ss++){
-            ret._odata[ss] = transpose(lhs._odata[ss]);
-        }
-        return ret;
-    };
+    Lattice<vobj> ret(lhs._grid);
+    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
+      ret._odata[ss] = transpose(lhs._odata[ss]);
+    }
+    return ret;
+  };
     
-    ////////////////////////////////////////////////////////////////////////////////////////////////////
-    // Index level dependent transpose
-    ////////////////////////////////////////////////////////////////////////////////////////////////////
-    template<int Index,class vobj>
+  ////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Index level dependent transpose
+  ////////////////////////////////////////////////////////////////////////////////////////////////////
+  template<int Index,class vobj>
     inline auto TransposeIndex(const Lattice<vobj> &lhs) -> Lattice<decltype(transposeIndex<Index>(lhs._odata[0]))>
-    {
-      Lattice<decltype(transposeIndex<Index>(lhs._odata[0]))> ret(lhs._grid);
-PARALLEL_FOR_LOOP
-        for(int ss=0;ss<lhs._grid->oSites();ss++){
-            ret._odata[ss] = transposeIndex<Index>(lhs._odata[ss]);
-        }
-        return ret;
-    };
-
+  {
+    Lattice<decltype(transposeIndex<Index>(lhs._odata[0]))> ret(lhs._grid);
+    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
+      ret._odata[ss] = transposeIndex<Index>(lhs._odata[ss]);
+    }
+    return ret;
+  };
 }
 #endif

Grid/lattice/Lattice_unary.h

@@ -37,8 +37,7 @@ namespace Grid {
     Lattice<obj> ret(rhs._grid);
     ret.checkerboard = rhs.checkerboard;
     conformable(ret,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<rhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
       ret._odata[ss]=pow(rhs._odata[ss],y);
     }
     return ret;
@@ -47,8 +46,7 @@ PARALLEL_FOR_LOOP
     Lattice<obj> ret(rhs._grid);
     ret.checkerboard = rhs.checkerboard;
     conformable(ret,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<rhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
       ret._odata[ss]=mod(rhs._odata[ss],y);
     }
     return ret;
@@ -58,22 +56,26 @@ PARALLEL_FOR_LOOP
     Lattice<obj> ret(rhs._grid);
     ret.checkerboard = rhs.checkerboard;
     conformable(ret,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<rhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
       ret._odata[ss]=div(rhs._odata[ss],y);
     }
     return ret;
   }
 
-  template<class obj> Lattice<obj> expMat(const Lattice<obj> &rhs, ComplexD alpha, Integer Nexp = DEFAULT_MAT_EXP){
+  template<class obj> Lattice<obj> expMat(const Lattice<obj> &rhs, RealD alpha, Integer Nexp = DEFAULT_MAT_EXP){
     Lattice<obj> ret(rhs._grid);
     ret.checkerboard = rhs.checkerboard;
     conformable(ret,rhs);
-PARALLEL_FOR_LOOP
-    for(int ss=0;ss<rhs._grid->oSites();ss++){
+    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
       ret._odata[ss]=Exponentiate(rhs._odata[ss],alpha, Nexp);
     }
+
     return ret;
+
+    
+    
+
+    
   }
 
 

Grid/lattice/Lattice_where.h

@@ -56,8 +56,7 @@ inline void whereWolf(Lattice<vobj> &ret,const Lattice<iobj> &predicate,Lattice<
   std::vector<scalar_object> truevals (Nsimd);
   std::vector<scalar_object> falsevals(Nsimd);
 
-PARALLEL_FOR_LOOP
-  for(int ss=0;ss<iftrue._grid->oSites(); ss++){
+  parallel_for(int ss=0;ss<iftrue._grid->oSites(); ss++){
 
     extract(iftrue._odata[ss]   ,truevals);
     extract(iffalse._odata[ss]  ,falsevals);

Grid/log/Log.cc

@@ -29,9 +29,11 @@ See the full license in the file "LICENSE" in the top level distribution
 directory
 *************************************************************************************/
 /*  END LEGAL */
-#include <Grid.h>
+#include <Grid/GridCore.h>
+#include <Grid/util/CompilerCompatible.h>
 
 #include <cxxabi.h>
+#include <memory>
 
 namespace Grid {
 
@@ -48,7 +50,7 @@ namespace Grid {
     return (status==0) ? res.get() : name ;
   }
   
-GridStopWatch Logger::StopWatch;
+GridStopWatch Logger::GlobalStopWatch;
 int Logger::timestamp;
 std::ostream Logger::devnull(0);
 
@@ -57,13 +59,15 @@ void GridLogTimestamp(int on){
 }
 
 Colours GridLogColours(0);
-GridLogger GridLogError(1, "Error", GridLogColours, "RED");
+GridLogger GridLogIRL    (1, "IRL"   , GridLogColours, "NORMAL");
+GridLogger GridLogSolver (1, "Solver", GridLogColours, "NORMAL");
+GridLogger GridLogError  (1, "Error" , GridLogColours, "RED");
 GridLogger GridLogWarning(1, "Warning", GridLogColours, "YELLOW");
 GridLogger GridLogMessage(1, "Message", GridLogColours, "NORMAL");
-GridLogger GridLogDebug(1, "Debug", GridLogColours, "PURPLE");
+GridLogger GridLogDebug  (1, "Debug", GridLogColours, "PURPLE");
 GridLogger GridLogPerformance(1, "Performance", GridLogColours, "GREEN");
-GridLogger GridLogIterative(1, "Iterative", GridLogColours, "BLUE");
-GridLogger GridLogIntegrator(1, "Integrator", GridLogColours, "BLUE");
+GridLogger GridLogIterative  (1, "Iterative", GridLogColours, "BLUE");
+GridLogger GridLogIntegrator (1, "Integrator", GridLogColours, "BLUE");
 
 void GridLogConfigure(std::vector<std::string> &logstreams) {
   GridLogError.Active(0);
@@ -93,7 +97,7 @@ void GridLogConfigure(std::vector<std::string> &logstreams) {
 ////////////////////////////////////////////////////////////
 void Grid_quiesce_nodes(void) {
   int me = 0;
-#if defined(GRID_COMMS_MPI) || defined(GRID_COMMS_MPI3) || defined(GRID_COMMS_MPI3L)
+#if defined(GRID_COMMS_MPI) || defined(GRID_COMMS_MPI3) || defined(GRID_COMMS_MPIT)
   MPI_Comm_rank(MPI_COMM_WORLD, &me);
 #endif
 #ifdef GRID_COMMS_SHMEM

Grid/log/Log.h

@@ -85,12 +85,16 @@ class Logger {
 protected:
   Colours &Painter;
   int active;
+  int timing_mode;
+  int topWidth{-1}, chanWidth{-1};
   static int timestamp;
   std::string name, topName;
   std::string COLOUR;
 
 public:
-  static GridStopWatch StopWatch;
+  static GridStopWatch GlobalStopWatch;
+  GridStopWatch         LocalStopWatch;
+  GridStopWatch *StopWatch;
   static std::ostream devnull;
 
   std::string background() {return Painter.colour["NORMAL"];}
@@ -101,22 +105,50 @@ public:
     name(nm),
     topName(topNm),
     Painter(col_class),
-    COLOUR(col) {} ;
+    timing_mode(0),
+    COLOUR(col) 
+    {
+      StopWatch = & GlobalStopWatch;
+    };
   
   void Active(int on) {active = on;};
   int  isActive(void) {return active;};
   static void Timestamp(int on) {timestamp = on;};
-  
+  void Reset(void) { 
+    StopWatch->Reset(); 
+    StopWatch->Start(); 
+  }
+  void TimingMode(int on) { 
+    timing_mode = on; 
+    if(on) { 
+      StopWatch = &LocalStopWatch;
+      Reset(); 
+    }
+  }
+  void setTopWidth(const int w) {topWidth = w;}
+  void setChanWidth(const int w) {chanWidth = w;}
+
   friend std::ostream& operator<< (std::ostream& stream, Logger& log){
 
     if ( log.active ) {
-      stream << log.background()<< log.topName << log.background()<< " : ";
-      stream << log.colour() <<std::setw(14) << std::left << log.name << log.background() << " : ";
+      stream << log.background()<<  std::left;
+      if (log.topWidth > 0)
+      {
+        stream << std::setw(log.topWidth);
+      }
+      stream << log.topName << log.background()<< " : ";
+      stream << log.colour() <<  std::left;
+      if (log.chanWidth > 0)
+      {
+        stream << std::setw(log.chanWidth);
+      }
+      stream << log.name << log.background() << " : ";
       if ( log.timestamp ) {
-	StopWatch.Stop();
-	GridTime now = StopWatch.Elapsed();
-	StopWatch.Start();
-	stream << log.evidence()<< now << log.background() << " : " ;
+	log.StopWatch->Stop();
+	GridTime now = log.StopWatch->Elapsed();
+	if ( log.timing_mode==1 ) log.StopWatch->Reset();
+	log.StopWatch->Start();
+	stream << log.evidence()<< std::setw(6)<<now << log.background() << " : " ;
       }
       stream << log.colour();
       return stream;
@@ -135,6 +167,8 @@ public:
 
 void GridLogConfigure(std::vector<std::string> &logstreams);
 
+extern GridLogger GridLogIRL;
+extern GridLogger GridLogSolver;
 extern GridLogger GridLogError;
 extern GridLogger GridLogWarning;
 extern GridLogger GridLogMessage;

Grid/parallelIO/BinaryIO.h

@@ -0,0 +1,729 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/parallelIO/BinaryIO.h
+
+    Copyright (C) 2015
+
+    Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+    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 GRID_BINARY_IO_H
+#define GRID_BINARY_IO_H
+
+#if defined(GRID_COMMS_MPI) || defined(GRID_COMMS_MPI3) || defined(GRID_COMMS_MPIT) 
+#define USE_MPI_IO
+#else
+#undef  USE_MPI_IO
+#endif
+
+#ifdef HAVE_ENDIAN_H
+#include <endian.h>
+#endif
+
+#include <arpa/inet.h>
+#include <algorithm>
+
+namespace Grid { 
+
+
+/////////////////////////////////////////////////////////////////////////////////
+// Byte reversal garbage
+/////////////////////////////////////////////////////////////////////////////////
+inline uint32_t byte_reverse32(uint32_t f) { 
+      f = ((f&0xFF)<<24) | ((f&0xFF00)<<8) | ((f&0xFF0000)>>8) | ((f&0xFF000000UL)>>24) ; 
+      return f;
+}
+inline uint64_t byte_reverse64(uint64_t f) { 
+  uint64_t g;
+  g = ((f&0xFF)<<24) | ((f&0xFF00)<<8) | ((f&0xFF0000)>>8) | ((f&0xFF000000UL)>>24) ; 
+  g = g << 32;
+  f = f >> 32;
+  g|= ((f&0xFF)<<24) | ((f&0xFF00)<<8) | ((f&0xFF0000)>>8) | ((f&0xFF000000UL)>>24) ; 
+  return g;
+}
+
+#if BYTE_ORDER == BIG_ENDIAN 
+inline uint64_t Grid_ntohll(uint64_t A) { return A; }
+#else
+inline uint64_t Grid_ntohll(uint64_t A) { 
+  return byte_reverse64(A);
+}
+#endif
+
+// A little helper
+inline void removeWhitespace(std::string &key)
+{
+  key.erase(std::remove_if(key.begin(), key.end(), ::isspace),key.end());
+}
+
+///////////////////////////////////////////////////////////////////////////////////////////////////
+// Static class holding the parallel IO code
+// Could just use a namespace
+///////////////////////////////////////////////////////////////////////////////////////////////////
+class BinaryIO {
+ public:
+
+  /////////////////////////////////////////////////////////////////////////////
+  // more byte manipulation helpers
+  /////////////////////////////////////////////////////////////////////////////
+
+  template<class vobj> static inline void Uint32Checksum(Lattice<vobj> &lat,uint32_t &nersc_csum)
+  {
+    typedef typename vobj::scalar_object sobj;
+
+    GridBase *grid = lat._grid;
+    uint64_t lsites = grid->lSites();
+
+    std::vector<sobj> scalardata(lsites); 
+    unvectorizeToLexOrdArray(scalardata,lat);    
+
+    NerscChecksum(grid,scalardata,nersc_csum);
+  }
+
+  template <class fobj>
+  static inline void NerscChecksum(GridBase *grid, std::vector<fobj> &fbuf, uint32_t &nersc_csum)
+  {
+    const uint64_t size32 = sizeof(fobj) / sizeof(uint32_t);
+
+    uint64_t lsites = grid->lSites();
+    if (fbuf.size() == 1)
+    {
+      lsites = 1;
+    }
+
+PARALLEL_REGION
+    {
+      uint32_t nersc_csum_thr = 0;
+
+PARALLEL_FOR_LOOP_INTERN
+      for (uint64_t local_site = 0; local_site < lsites; local_site++)
+      {
+        uint32_t *site_buf = (uint32_t *)&fbuf[local_site];
+        for (uint64_t j = 0; j < size32; j++)
+        {
+          nersc_csum_thr = nersc_csum_thr + site_buf[j];
+        }
+      }
+
+PARALLEL_CRITICAL
+      {
+        nersc_csum += nersc_csum_thr;
+      }
+    }
+  }
+
+  template<class fobj> static inline void ScidacChecksum(GridBase *grid,std::vector<fobj> &fbuf,uint32_t &scidac_csuma,uint32_t &scidac_csumb)
+  {
+    const uint64_t size32 = sizeof(fobj)/sizeof(uint32_t);
+
+
+    int nd = grid->_ndimension;
+
+    uint64_t lsites              =grid->lSites();
+    if (fbuf.size()==1) {
+      lsites=1;
+    }
+    std::vector<int> local_vol   =grid->LocalDimensions();
+    std::vector<int> local_start =grid->LocalStarts();
+    std::vector<int> global_vol  =grid->FullDimensions();
+
+PARALLEL_REGION
+    { 
+      std::vector<int> coor(nd);
+      uint32_t scidac_csuma_thr=0;
+      uint32_t scidac_csumb_thr=0;
+      uint32_t site_crc=0;
+
+PARALLEL_FOR_LOOP_INTERN
+      for(uint64_t local_site=0;local_site<lsites;local_site++){
+
+	uint32_t * site_buf = (uint32_t *)&fbuf[local_site];
+
+	/* 
+	 * Scidac csum  is rather more heavyweight
+	 * FIXME -- 128^3 x 256 x 16 will overflow.
+	 */
+	
+	int global_site;
+
+	Lexicographic::CoorFromIndex(coor,local_site,local_vol);
+
+	for(int d=0;d<nd;d++) {
+	  coor[d] = coor[d]+local_start[d];
+	}
+
+	Lexicographic::IndexFromCoor(coor,global_site,global_vol);
+
+	uint32_t gsite29   = global_site%29;
+	uint32_t gsite31   = global_site%31;
+	
+	site_crc = crc32(0,(unsigned char *)site_buf,sizeof(fobj));
+	//	std::cout << "Site "<<local_site << " crc "<<std::hex<<site_crc<<std::dec<<std::endl;
+	//	std::cout << "Site "<<local_site << std::hex<<site_buf[0] <<site_buf[1]<<std::dec <<std::endl;
+	scidac_csuma_thr ^= site_crc<<gsite29 | site_crc>>(32-gsite29);
+	scidac_csumb_thr ^= site_crc<<gsite31 | site_crc>>(32-gsite31);
+      }
+
+PARALLEL_CRITICAL
+      {
+	scidac_csuma^= scidac_csuma_thr;
+	scidac_csumb^= scidac_csumb_thr;
+      }
+    }
+  }
+
+  // Network is big endian
+  static inline void htobe32_v(void *file_object,uint32_t bytes){ be32toh_v(file_object,bytes);} 
+  static inline void htobe64_v(void *file_object,uint32_t bytes){ be64toh_v(file_object,bytes);} 
+  static inline void htole32_v(void *file_object,uint32_t bytes){ le32toh_v(file_object,bytes);} 
+  static inline void htole64_v(void *file_object,uint32_t bytes){ le64toh_v(file_object,bytes);} 
+
+  static inline void be32toh_v(void *file_object,uint64_t bytes)
+  {
+    uint32_t * f = (uint32_t *)file_object;
+    uint64_t count = bytes/sizeof(uint32_t);
+    parallel_for(uint64_t i=0;i<count;i++){  
+      f[i] = ntohl(f[i]);
+    }
+  }
+  // LE must Swap and switch to host
+  static inline void le32toh_v(void *file_object,uint64_t bytes)
+  {
+    uint32_t *fp = (uint32_t *)file_object;
+    uint32_t f;
+
+    uint64_t count = bytes/sizeof(uint32_t);
+    parallel_for(uint64_t i=0;i<count;i++){  
+      f = fp[i];
+      // got network order and the network to host
+      f = ((f&0xFF)<<24) | ((f&0xFF00)<<8) | ((f&0xFF0000)>>8) | ((f&0xFF000000UL)>>24) ; 
+      fp[i] = ntohl(f);
+    }
+  }
+
+  // BE is same as network
+  static inline void be64toh_v(void *file_object,uint64_t bytes)
+  {
+    uint64_t * f = (uint64_t *)file_object;
+    uint64_t count = bytes/sizeof(uint64_t);
+    parallel_for(uint64_t i=0;i<count;i++){  
+      f[i] = Grid_ntohll(f[i]);
+    }
+  }
+  
+  // LE must swap and switch;
+  static inline void le64toh_v(void *file_object,uint64_t bytes)
+  {
+    uint64_t *fp = (uint64_t *)file_object;
+    uint64_t f,g;
+    
+    uint64_t count = bytes/sizeof(uint64_t);
+    parallel_for(uint64_t i=0;i<count;i++){  
+      f = fp[i];
+      // got network order and the network to host
+      g = ((f&0xFF)<<24) | ((f&0xFF00)<<8) | ((f&0xFF0000)>>8) | ((f&0xFF000000UL)>>24) ; 
+      g = g << 32;
+      f = f >> 32;
+      g|= ((f&0xFF)<<24) | ((f&0xFF00)<<8) | ((f&0xFF0000)>>8) | ((f&0xFF000000UL)>>24) ; 
+      fp[i] = Grid_ntohll(g);
+    }
+  }
+  /////////////////////////////////////////////////////////////////////////////
+  // Real action:
+  // Read or Write distributed lexico array of ANY object to a specific location in file 
+  //////////////////////////////////////////////////////////////////////////////////////
+
+  static const int BINARYIO_MASTER_APPEND = 0x10;
+  static const int BINARYIO_UNORDERED     = 0x08;
+  static const int BINARYIO_LEXICOGRAPHIC = 0x04;
+  static const int BINARYIO_READ          = 0x02;
+  static const int BINARYIO_WRITE         = 0x01;
+
+  template<class word,class fobj>
+  static inline void IOobject(word w,
+			      GridBase *grid,
+			      std::vector<fobj> &iodata,
+			      std::string file,
+			      uint64_t& offset,
+			      const std::string &format, int control,
+			      uint32_t &nersc_csum,
+			      uint32_t &scidac_csuma,
+			      uint32_t &scidac_csumb)
+  {
+    grid->Barrier();
+    GridStopWatch timer; 
+    GridStopWatch bstimer;
+    
+    nersc_csum=0;
+    scidac_csuma=0;
+    scidac_csumb=0;
+
+    int ndim                 = grid->Dimensions();
+    int nrank                = grid->ProcessorCount();
+    int myrank               = grid->ThisRank();
+
+    std::vector<int>  psizes = grid->ProcessorGrid(); 
+    std::vector<int>  pcoor  = grid->ThisProcessorCoor();
+    std::vector<int> gLattice= grid->GlobalDimensions();
+    std::vector<int> lLattice= grid->LocalDimensions();
+
+    std::vector<int> lStart(ndim);
+    std::vector<int> gStart(ndim);
+
+    // Flatten the file
+    uint64_t lsites = grid->lSites();
+    if ( control & BINARYIO_MASTER_APPEND )  {
+      assert(iodata.size()==1);
+    } else {
+      assert(lsites==iodata.size());
+    }
+    for(int d=0;d<ndim;d++){
+      gStart[d] = lLattice[d]*pcoor[d];
+      lStart[d] = 0;
+    }
+
+#ifdef USE_MPI_IO
+    std::vector<int> distribs(ndim,MPI_DISTRIBUTE_BLOCK);
+    std::vector<int> dargs   (ndim,MPI_DISTRIBUTE_DFLT_DARG);
+    MPI_Datatype mpiObject;
+    MPI_Datatype fileArray;
+    MPI_Datatype localArray;
+    MPI_Datatype mpiword;
+    MPI_Offset disp = offset;
+    MPI_File fh ;
+    MPI_Status status;
+    int numword;
+
+    if ( sizeof( word ) == sizeof(float ) ) {
+      numword = sizeof(fobj)/sizeof(float);
+      mpiword = MPI_FLOAT;
+    } else {
+      numword = sizeof(fobj)/sizeof(double);
+      mpiword = MPI_DOUBLE;
+    }
+
+    //////////////////////////////////////////////////////////////////////////////
+    // Sobj in MPI phrasing
+    //////////////////////////////////////////////////////////////////////////////
+    int ierr;
+    ierr = MPI_Type_contiguous(numword,mpiword,&mpiObject);    assert(ierr==0);
+    ierr = MPI_Type_commit(&mpiObject);
+
+    //////////////////////////////////////////////////////////////////////////////
+    // File global array data type
+    //////////////////////////////////////////////////////////////////////////////
+    ierr=MPI_Type_create_subarray(ndim,&gLattice[0],&lLattice[0],&gStart[0],MPI_ORDER_FORTRAN, mpiObject,&fileArray);    assert(ierr==0);
+    ierr=MPI_Type_commit(&fileArray);    assert(ierr==0);
+
+    //////////////////////////////////////////////////////////////////////////////
+    // local lattice array
+    //////////////////////////////////////////////////////////////////////////////
+    ierr=MPI_Type_create_subarray(ndim,&lLattice[0],&lLattice[0],&lStart[0],MPI_ORDER_FORTRAN, mpiObject,&localArray);    assert(ierr==0);
+    ierr=MPI_Type_commit(&localArray);    assert(ierr==0);
+#endif
+
+    //////////////////////////////////////////////////////////////////////////////
+    // Byte order
+    //////////////////////////////////////////////////////////////////////////////
+    int ieee32big = (format == std::string("IEEE32BIG"));
+    int ieee32    = (format == std::string("IEEE32"));
+    int ieee64big = (format == std::string("IEEE64BIG"));
+    int ieee64    = (format == std::string("IEEE64"));
+
+    //////////////////////////////////////////////////////////////////////////////
+    // Do the I/O
+    //////////////////////////////////////////////////////////////////////////////
+    if ( control & BINARYIO_READ ) { 
+
+      timer.Start();
+
+      if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
+#ifdef USE_MPI_IO
+	std::cout<< GridLogMessage<<"IOobject: MPI read I/O "<< file<< std::endl;
+	ierr=MPI_File_open(grid->communicator,(char *) file.c_str(), MPI_MODE_RDONLY, MPI_INFO_NULL, &fh);    assert(ierr==0);
+	ierr=MPI_File_set_view(fh, disp, mpiObject, fileArray, "native", MPI_INFO_NULL);    assert(ierr==0);
+	ierr=MPI_File_read_all(fh, &iodata[0], 1, localArray, &status);    assert(ierr==0);
+	MPI_File_close(&fh);
+	MPI_Type_free(&fileArray);
+	MPI_Type_free(&localArray);
+#else 
+	assert(0);
+#endif
+      } else {
+	std::cout << GridLogMessage <<"IOobject: C++ read I/O " << file << " : "
+                  << iodata.size() * sizeof(fobj) << " bytes" << std::endl;
+        std::ifstream fin;
+	fin.open(file, std::ios::binary | std::ios::in);
+        if (control & BINARYIO_MASTER_APPEND)
+        {
+          fin.seekg(-sizeof(fobj), fin.end);
+        }
+        else
+        {
+          fin.seekg(offset + myrank * lsites * sizeof(fobj));
+        }
+        fin.read((char *)&iodata[0], iodata.size() * sizeof(fobj));
+        assert(fin.fail() == 0);
+        fin.close();
+      }
+      timer.Stop();
+
+      grid->Barrier();
+
+      bstimer.Start();
+      ScidacChecksum(grid,iodata,scidac_csuma,scidac_csumb);
+      if (ieee32big) be32toh_v((void *)&iodata[0], sizeof(fobj)*iodata.size());
+      if (ieee32)    le32toh_v((void *)&iodata[0], sizeof(fobj)*iodata.size());
+      if (ieee64big) be64toh_v((void *)&iodata[0], sizeof(fobj)*iodata.size());
+      if (ieee64)    le64toh_v((void *)&iodata[0], sizeof(fobj)*iodata.size());
+      NerscChecksum(grid,iodata,nersc_csum);
+      bstimer.Stop();
+    }
+    
+    if ( control & BINARYIO_WRITE ) { 
+
+      bstimer.Start();
+      NerscChecksum(grid,iodata,nersc_csum);
+      if (ieee32big) htobe32_v((void *)&iodata[0], sizeof(fobj)*iodata.size());
+      if (ieee32)    htole32_v((void *)&iodata[0], sizeof(fobj)*iodata.size());
+      if (ieee64big) htobe64_v((void *)&iodata[0], sizeof(fobj)*iodata.size());
+      if (ieee64)    htole64_v((void *)&iodata[0], sizeof(fobj)*iodata.size());
+      ScidacChecksum(grid,iodata,scidac_csuma,scidac_csumb);
+      bstimer.Stop();
+
+      grid->Barrier();
+
+      timer.Start();
+      if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
+#ifdef USE_MPI_IO
+        std::cout << GridLogMessage <<"IOobject: MPI write I/O " << file << std::endl;
+        ierr = MPI_File_open(grid->communicator, (char *)file.c_str(), MPI_MODE_RDWR | MPI_MODE_CREATE, MPI_INFO_NULL, &fh);
+	//        std::cout << GridLogMessage << "Checking for errors" << std::endl;
+        if (ierr != MPI_SUCCESS)
+        {
+          char error_string[BUFSIZ];
+          int length_of_error_string, error_class;
+
+          MPI_Error_class(ierr, &error_class);
+          MPI_Error_string(error_class, error_string, &length_of_error_string);
+          fprintf(stderr, "%3d: %s\n", myrank, error_string);
+          MPI_Error_string(ierr, error_string, &length_of_error_string);
+          fprintf(stderr, "%3d: %s\n", myrank, error_string);
+          MPI_Abort(MPI_COMM_WORLD, 1); //assert(ierr == 0);
+        }
+
+        std::cout << GridLogDebug << "MPI write I/O set view " << file << std::endl;
+        ierr = MPI_File_set_view(fh, disp, mpiObject, fileArray, "native", MPI_INFO_NULL);
+        assert(ierr == 0);
+
+        std::cout << GridLogDebug << "MPI write I/O write all " << file << std::endl;
+        ierr = MPI_File_write_all(fh, &iodata[0], 1, localArray, &status);
+        assert(ierr == 0);
+
+        MPI_Offset os;
+        MPI_File_get_position(fh, &os);
+        MPI_File_get_byte_offset(fh, os, &disp);
+        offset = disp;
+
+
+        MPI_File_close(&fh);
+        MPI_Type_free(&fileArray);
+        MPI_Type_free(&localArray);
+#else 
+	assert(0);
+#endif
+      } else { 
+
+        std::cout << GridLogMessage << "IOobject: C++ write I/O " << file << " : "
+                  << iodata.size() * sizeof(fobj) << " bytes and offset " << offset << std::endl;
+        
+	std::ofstream fout; 
+	fout.exceptions ( std::fstream::failbit | std::fstream::badbit );
+	try {
+	  if (offset) { // Must already exist and contain data
+	    fout.open(file,std::ios::binary|std::ios::out|std::ios::in);
+	  } else {     // Allow create
+	    fout.open(file,std::ios::binary|std::ios::out);
+	  }
+	} catch (const std::fstream::failure& exc) {
+	  std::cout << GridLogError << "Error in opening the file " << file << " for output" <<std::endl;
+	  std::cout << GridLogError << "Exception description: " << exc.what() << std::endl;
+	  //	  std::cout << GridLogError << "Probable cause: wrong path, inaccessible location "<< std::endl;
+#ifdef USE_MPI_IO
+	  MPI_Abort(MPI_COMM_WORLD,1);
+#else
+	  exit(1);
+#endif
+	}
+	
+	if ( control & BINARYIO_MASTER_APPEND )  {
+	  try {
+	    fout.seekp(0,fout.end);
+	  } catch (const std::fstream::failure& exc) {
+	    std::cout << "Exception in seeking file end " << file << std::endl;
+	  }
+	} else {
+	  try { 
+	    fout.seekp(offset+myrank*lsites*sizeof(fobj));
+	  } catch (const std::fstream::failure& exc) {
+	    std::cout << "Exception in seeking file " << file <<" offset "<< offset << std::endl;
+	  }
+	}
+
+	try {
+	  fout.write((char *)&iodata[0],iodata.size()*sizeof(fobj));//assert( fout.fail()==0);
+	}
+	catch (const std::fstream::failure& exc) {
+	  std::cout << "Exception in writing file " << file << std::endl;
+	  std::cout << GridLogError << "Exception description: "<< exc.what() << std::endl;
+#ifdef USE_MPI_IO
+	  MPI_Abort(MPI_COMM_WORLD,1);
+#else
+	  exit(1);
+#endif
+	}
+  offset  = fout.tellp();
+	fout.close();
+      }
+      timer.Stop();
+    }
+    
+    std::cout<<GridLogMessage<<"IOobject: ";
+    if ( control & BINARYIO_READ) std::cout << " read  ";
+    else                          std::cout << " write ";
+    uint64_t bytes = sizeof(fobj)*iodata.size()*nrank;
+    std::cout<< bytes <<" bytes in "<<timer.Elapsed() <<" "
+	     << (double)bytes/ (double)timer.useconds() <<" MB/s "<<std::endl;
+
+    std::cout<<GridLogMessage<<"IOobject: endian and checksum overhead "<<bstimer.Elapsed()  <<std::endl;
+
+    //////////////////////////////////////////////////////////////////////////////
+    // Safety check
+    //////////////////////////////////////////////////////////////////////////////
+    // if the data size is 1 we do not want to sum over the MPI ranks
+    if (iodata.size() != 1){
+      grid->Barrier();
+      grid->GlobalSum(nersc_csum);
+      grid->GlobalXOR(scidac_csuma);
+      grid->GlobalXOR(scidac_csumb);
+      grid->Barrier();
+    }
+  }
+
+  /////////////////////////////////////////////////////////////////////////////
+  // Read a Lattice of object
+  //////////////////////////////////////////////////////////////////////////////////////
+  template<class vobj,class fobj,class munger>
+  static inline void readLatticeObject(Lattice<vobj> &Umu,
+				       std::string file,
+				       munger munge,
+				       uint64_t offset,
+				       const std::string &format,
+				       uint32_t &nersc_csum,
+				       uint32_t &scidac_csuma,
+				       uint32_t &scidac_csumb)
+  {
+    typedef typename vobj::scalar_object sobj;
+    typedef typename vobj::Realified::scalar_type word;    word w=0;
+
+    GridBase *grid = Umu._grid;
+    uint64_t lsites = grid->lSites();
+
+    std::vector<sobj> scalardata(lsites); 
+    std::vector<fobj>     iodata(lsites); // Munge, checksum, byte order in here
+    
+    IOobject(w,grid,iodata,file,offset,format,BINARYIO_READ|BINARYIO_LEXICOGRAPHIC,
+	     nersc_csum,scidac_csuma,scidac_csumb);
+
+    GridStopWatch timer; 
+    timer.Start();
+
+    parallel_for(uint64_t x=0;x<lsites;x++) munge(iodata[x], scalardata[x]);
+
+    vectorizeFromLexOrdArray(scalardata,Umu);    
+    grid->Barrier();
+
+    timer.Stop();
+    std::cout<<GridLogMessage<<"readLatticeObject: vectorize overhead "<<timer.Elapsed()  <<std::endl;
+  }
+
+  /////////////////////////////////////////////////////////////////////////////
+  // Write a Lattice of object
+  //////////////////////////////////////////////////////////////////////////////////////
+  template<class vobj,class fobj,class munger>
+    static inline void writeLatticeObject(Lattice<vobj> &Umu,
+					  std::string file,
+					  munger munge,
+					  uint64_t offset,
+					  const std::string &format,
+					  uint32_t &nersc_csum,
+					  uint32_t &scidac_csuma,
+					  uint32_t &scidac_csumb)
+  {
+    typedef typename vobj::scalar_object sobj;
+    typedef typename vobj::Realified::scalar_type word;    word w=0;
+    GridBase *grid = Umu._grid;
+    uint64_t lsites = grid->lSites();
+
+    std::vector<sobj> scalardata(lsites); 
+    std::vector<fobj>     iodata(lsites); // Munge, checksum, byte order in here
+
+    //////////////////////////////////////////////////////////////////////////////
+    // Munge [ .e.g 3rd row recon ]
+    //////////////////////////////////////////////////////////////////////////////
+    GridStopWatch timer; timer.Start();
+    unvectorizeToLexOrdArray(scalardata,Umu);    
+
+    parallel_for(uint64_t x=0;x<lsites;x++) munge(scalardata[x],iodata[x]);
+
+    grid->Barrier();
+    timer.Stop();
+
+    IOobject(w,grid,iodata,file,offset,format,BINARYIO_WRITE|BINARYIO_LEXICOGRAPHIC,
+	     nersc_csum,scidac_csuma,scidac_csumb);
+
+    std::cout<<GridLogMessage<<"writeLatticeObject: unvectorize overhead "<<timer.Elapsed()  <<std::endl;
+  }
+  
+  /////////////////////////////////////////////////////////////////////////////
+  // Read a RNG;  use IOobject and lexico map to an array of state 
+  //////////////////////////////////////////////////////////////////////////////////////
+  static inline void readRNG(GridSerialRNG &serial,
+			     GridParallelRNG &parallel,
+			     std::string file,
+			     uint64_t offset,
+			     uint32_t &nersc_csum,
+			     uint32_t &scidac_csuma,
+			     uint32_t &scidac_csumb)
+  {
+    typedef typename GridSerialRNG::RngStateType RngStateType;
+    const int RngStateCount = GridSerialRNG::RngStateCount;
+    typedef std::array<RngStateType,RngStateCount> RNGstate;
+    typedef RngStateType word;    word w=0;
+
+    std::string format = "IEEE32BIG";
+
+    GridBase *grid = parallel._grid;
+    uint64_t gsites = grid->gSites();
+    uint64_t lsites = grid->lSites();
+
+    uint32_t nersc_csum_tmp   = 0;
+    uint32_t scidac_csuma_tmp = 0;
+    uint32_t scidac_csumb_tmp = 0;
+
+    GridStopWatch timer;
+
+    std::cout << GridLogMessage << "RNG read I/O on file " << file << std::endl;
+
+    std::vector<RNGstate> iodata(lsites);
+    IOobject(w,grid,iodata,file,offset,format,BINARYIO_READ|BINARYIO_LEXICOGRAPHIC,
+	     nersc_csum,scidac_csuma,scidac_csumb);
+
+    timer.Start();
+    parallel_for(uint64_t lidx=0;lidx<lsites;lidx++){
+      std::vector<RngStateType> tmp(RngStateCount);
+      std::copy(iodata[lidx].begin(),iodata[lidx].end(),tmp.begin());
+      parallel.SetState(tmp,lidx);
+    }
+    timer.Stop();
+
+    iodata.resize(1);
+    IOobject(w,grid,iodata,file,offset,format,BINARYIO_READ|BINARYIO_MASTER_APPEND,
+	     nersc_csum_tmp,scidac_csuma_tmp,scidac_csumb_tmp);
+
+    {
+      std::vector<RngStateType> tmp(RngStateCount);
+      std::copy(iodata[0].begin(),iodata[0].end(),tmp.begin());
+      serial.SetState(tmp,0);
+    }
+
+    nersc_csum   = nersc_csum   + nersc_csum_tmp;
+    scidac_csuma = scidac_csuma ^ scidac_csuma_tmp;
+    scidac_csumb = scidac_csumb ^ scidac_csumb_tmp;
+
+    std::cout << GridLogMessage << "RNG file nersc_checksum   " << std::hex << nersc_csum << std::dec << std::endl;
+    std::cout << GridLogMessage << "RNG file scidac_checksuma " << std::hex << scidac_csuma << std::dec << std::endl;
+    std::cout << GridLogMessage << "RNG file scidac_checksumb " << std::hex << scidac_csumb << std::dec << std::endl;
+
+    std::cout << GridLogMessage << "RNG state overhead " << timer.Elapsed() << std::endl;
+  }
+  /////////////////////////////////////////////////////////////////////////////
+  // Write a RNG; lexico map to an array of state and use IOobject
+  //////////////////////////////////////////////////////////////////////////////////////
+  static inline void writeRNG(GridSerialRNG &serial,
+			      GridParallelRNG &parallel,
+			      std::string file,
+			      uint64_t offset,
+			      uint32_t &nersc_csum,
+			      uint32_t &scidac_csuma,
+			      uint32_t &scidac_csumb)
+  {
+    typedef typename GridSerialRNG::RngStateType RngStateType;
+    typedef RngStateType word; word w=0;
+    const int RngStateCount = GridSerialRNG::RngStateCount;
+    typedef std::array<RngStateType,RngStateCount> RNGstate;
+
+    GridBase *grid = parallel._grid;
+    uint64_t gsites = grid->gSites();
+    uint64_t lsites = grid->lSites();
+
+    uint32_t nersc_csum_tmp;
+    uint32_t scidac_csuma_tmp;
+    uint32_t scidac_csumb_tmp;
+
+    GridStopWatch timer;
+    std::string format = "IEEE32BIG";
+
+    std::cout << GridLogMessage << "RNG write I/O on file " << file << std::endl;
+
+    timer.Start();
+    std::vector<RNGstate> iodata(lsites);
+    parallel_for(uint64_t lidx=0;lidx<lsites;lidx++){
+      std::vector<RngStateType> tmp(RngStateCount);
+      parallel.GetState(tmp,lidx);
+      std::copy(tmp.begin(),tmp.end(),iodata[lidx].begin());
+    }
+    timer.Stop();
+
+    IOobject(w,grid,iodata,file,offset,format,BINARYIO_WRITE|BINARYIO_LEXICOGRAPHIC,
+	     nersc_csum,scidac_csuma,scidac_csumb);
+    iodata.resize(1);
+    {
+      std::vector<RngStateType> tmp(RngStateCount);
+      serial.GetState(tmp,0);
+      std::copy(tmp.begin(),tmp.end(),iodata[0].begin());
+    }
+    IOobject(w,grid,iodata,file,offset,format,BINARYIO_WRITE|BINARYIO_MASTER_APPEND,
+	     nersc_csum_tmp,scidac_csuma_tmp,scidac_csumb_tmp);
+
+    nersc_csum   = nersc_csum   + nersc_csum_tmp;
+    scidac_csuma = scidac_csuma ^ scidac_csuma_tmp;
+    scidac_csumb = scidac_csumb ^ scidac_csumb_tmp;
+    
+    std::cout << GridLogMessage << "RNG file checksum " << std::hex << nersc_csum    << std::dec << std::endl;
+    std::cout << GridLogMessage << "RNG file checksuma " << std::hex << scidac_csuma << std::dec << std::endl;
+    std::cout << GridLogMessage << "RNG file checksumb " << std::hex << scidac_csumb << std::dec << std::endl;
+    std::cout << GridLogMessage << "RNG state overhead " << timer.Elapsed() << std::endl;
+  }
+};
+}
+#endif

Grid/parallelIO/IldgIO.h

@@ -0,0 +1,875 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/parallelIO/IldgIO.h
+
+Copyright (C) 2015
+
+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_ILDG_IO_H
+#define GRID_ILDG_IO_H
+
+#ifdef HAVE_LIME
+#include <algorithm>
+#include <fstream>
+#include <iomanip>
+#include <iostream>
+#include <map>
+
+#include <pwd.h>
+#include <sys/utsname.h>
+#include <unistd.h>
+
+//C-Lime is a must have for this functionality
+extern "C" {  
+#include "lime.h"
+}
+
+namespace Grid {
+namespace QCD {
+
+  /////////////////////////////////
+  // Encode word types as strings
+  /////////////////////////////////
+ template<class word> inline std::string ScidacWordMnemonic(void){ return std::string("unknown"); }
+ template<> inline std::string ScidacWordMnemonic<double>  (void){ return std::string("D"); }
+ template<> inline std::string ScidacWordMnemonic<float>   (void){ return std::string("F"); }
+ template<> inline std::string ScidacWordMnemonic< int32_t>(void){ return std::string("I32_t"); }
+ template<> inline std::string ScidacWordMnemonic<uint32_t>(void){ return std::string("U32_t"); }
+ template<> inline std::string ScidacWordMnemonic< int64_t>(void){ return std::string("I64_t"); }
+ template<> inline std::string ScidacWordMnemonic<uint64_t>(void){ return std::string("U64_t"); }
+
+  /////////////////////////////////////////
+  // Encode a generic tensor as a string
+  /////////////////////////////////////////
+ template<class vobj> std::string ScidacRecordTypeString(int &colors, int &spins, int & typesize,int &datacount) { 
+
+   typedef typename getPrecision<vobj>::real_scalar_type stype;
+
+   int _ColourN       = indexRank<ColourIndex,vobj>();
+   int _ColourScalar  =  isScalar<ColourIndex,vobj>();
+   int _ColourVector  =  isVector<ColourIndex,vobj>();
+   int _ColourMatrix  =  isMatrix<ColourIndex,vobj>();
+
+   int _SpinN       = indexRank<SpinIndex,vobj>();
+   int _SpinScalar  =  isScalar<SpinIndex,vobj>();
+   int _SpinVector  =  isVector<SpinIndex,vobj>();
+   int _SpinMatrix  =  isMatrix<SpinIndex,vobj>();
+
+   int _LorentzN       = indexRank<LorentzIndex,vobj>();
+   int _LorentzScalar  =  isScalar<LorentzIndex,vobj>();
+   int _LorentzVector  =  isVector<LorentzIndex,vobj>();
+   int _LorentzMatrix  =  isMatrix<LorentzIndex,vobj>();
+
+   std::stringstream stream;
+
+   stream << "GRID_";
+   stream << ScidacWordMnemonic<stype>();
+
+   if ( _LorentzVector )   stream << "_LorentzVector"<<_LorentzN;
+   if ( _LorentzMatrix )   stream << "_LorentzMatrix"<<_LorentzN;
+
+   if ( _SpinVector )   stream << "_SpinVector"<<_SpinN;
+   if ( _SpinMatrix )   stream << "_SpinMatrix"<<_SpinN;
+
+   if ( _ColourVector )   stream << "_ColourVector"<<_ColourN;
+   if ( _ColourMatrix )   stream << "_ColourMatrix"<<_ColourN;
+
+   if ( _ColourScalar && _LorentzScalar && _SpinScalar )   stream << "_Complex";
+
+
+   typesize = sizeof(typename vobj::scalar_type);
+
+   if ( _ColourMatrix ) typesize*= _ColourN*_ColourN;
+   else                 typesize*= _ColourN;
+
+   if ( _SpinMatrix )   typesize*= _SpinN*_SpinN;
+   else                 typesize*= _SpinN;
+
+   colors    = _ColourN;
+   spins     = _SpinN;
+   datacount = _LorentzN;
+
+   return stream.str();
+ }
+ 
+ template<class vobj> std::string ScidacRecordTypeString(Lattice<vobj> & lat,int &colors, int &spins, int & typesize,int &datacount) { 
+   return ScidacRecordTypeString<vobj>(colors,spins,typesize,datacount);
+ };
+
+
+ ////////////////////////////////////////////////////////////
+ // Helper to fill out metadata
+ ////////////////////////////////////////////////////////////
+ template<class vobj> void ScidacMetaData(Lattice<vobj> & field,
+					  FieldMetaData &header,
+					  scidacRecord & _scidacRecord,
+					  scidacFile   & _scidacFile) 
+ {
+   typedef typename getPrecision<vobj>::real_scalar_type stype;
+
+   /////////////////////////////////////
+   // Pull Grid's metadata
+   /////////////////////////////////////
+   PrepareMetaData(field,header);
+
+   /////////////////////////////////////
+   // Scidac Private File structure
+   /////////////////////////////////////
+   _scidacFile              = scidacFile(field._grid);
+
+   /////////////////////////////////////
+   // Scidac Private Record structure
+   /////////////////////////////////////
+   scidacRecord sr;
+   sr.datatype   = ScidacRecordTypeString(field,sr.colors,sr.spins,sr.typesize,sr.datacount);
+   sr.date       = header.creation_date;
+   sr.precision  = ScidacWordMnemonic<stype>();
+   sr.recordtype = GRID_IO_FIELD;
+
+   _scidacRecord = sr;
+
+   //   std::cout << GridLogMessage << "Build SciDAC datatype " <<sr.datatype<<std::endl;
+ }
+ 
+ ///////////////////////////////////////////////////////
+ // Scidac checksum
+ ///////////////////////////////////////////////////////
+ static int scidacChecksumVerify(scidacChecksum &scidacChecksum_,uint32_t scidac_csuma,uint32_t scidac_csumb)
+ {
+   uint32_t scidac_checksuma = stoull(scidacChecksum_.suma,0,16);
+   uint32_t scidac_checksumb = stoull(scidacChecksum_.sumb,0,16);
+   if ( scidac_csuma !=scidac_checksuma) return 0;
+   if ( scidac_csumb !=scidac_checksumb) return 0;
+   return 1;
+ }
+
+////////////////////////////////////////////////////////////////////////////////////
+// Lime, ILDG and Scidac I/O classes
+////////////////////////////////////////////////////////////////////////////////////
+class GridLimeReader : public BinaryIO {
+ public:
+   ///////////////////////////////////////////////////
+   // FIXME: format for RNG? Now just binary out instead
+   ///////////////////////////////////////////////////
+
+   FILE       *File;
+   LimeReader *LimeR;
+   std::string filename;
+
+   /////////////////////////////////////////////
+   // Open the file
+   /////////////////////////////////////////////
+   void open(const std::string &_filename) 
+   {
+     filename= _filename;
+     File = fopen(filename.c_str(), "r");
+     if (File == nullptr)
+     {
+       std::cerr << "cannot open file '" << filename << "'" << std::endl;
+       abort();
+     }
+     LimeR = limeCreateReader(File);
+   }
+   /////////////////////////////////////////////
+   // Close the file
+   /////////////////////////////////////////////
+   void close(void){
+     fclose(File);
+     //     limeDestroyReader(LimeR);
+   }
+
+  ////////////////////////////////////////////
+  // Read a generic lattice field and verify checksum
+  ////////////////////////////////////////////
+  template<class vobj>
+  void readLimeLatticeBinaryObject(Lattice<vobj> &field,std::string record_name)
+  {
+    typedef typename vobj::scalar_object sobj;
+    scidacChecksum scidacChecksum_;
+    uint32_t nersc_csum,scidac_csuma,scidac_csumb;
+
+    std::string format = getFormatString<vobj>();
+
+    while ( limeReaderNextRecord(LimeR) == LIME_SUCCESS ) { 
+
+      uint64_t file_bytes =limeReaderBytes(LimeR);
+
+      //      std::cout << GridLogMessage << limeReaderType(LimeR) << " "<< file_bytes <<" bytes "<<std::endl;
+      //      std::cout << GridLogMessage<< " readLimeObject seeking "<<  record_name <<" found record :" <<limeReaderType(LimeR) <<std::endl;
+
+      if ( !strncmp(limeReaderType(LimeR), record_name.c_str(),strlen(record_name.c_str()) )  ) {
+
+	//	std::cout << GridLogMessage<< " readLimeLatticeBinaryObject matches ! " <<std::endl;
+
+	uint64_t PayloadSize = sizeof(sobj) * field._grid->_gsites;
+
+	//	std::cout << "R sizeof(sobj)= " <<sizeof(sobj)<<std::endl;
+	//	std::cout << "R Gsites " <<field._grid->_gsites<<std::endl;
+	//	std::cout << "R Payload expected " <<PayloadSize<<std::endl;
+	//	std::cout << "R file size " <<file_bytes <<std::endl;
+
+	assert(PayloadSize == file_bytes);// Must match or user error
+
+	uint64_t offset= ftello(File);
+	//	std::cout << " ReadLatticeObject from offset "<<offset << std::endl;
+	BinarySimpleMunger<sobj,sobj> munge;
+	BinaryIO::readLatticeObject< vobj, sobj >(field, filename, munge, offset, format,nersc_csum,scidac_csuma,scidac_csumb);
+
+	/////////////////////////////////////////////
+	// Insist checksum is next record
+	/////////////////////////////////////////////
+	readLimeObject(scidacChecksum_,std::string("scidacChecksum"),std::string(SCIDAC_CHECKSUM));
+
+	/////////////////////////////////////////////
+	// Verify checksums
+	/////////////////////////////////////////////
+	assert(scidacChecksumVerify(scidacChecksum_,scidac_csuma,scidac_csumb)==1);
+	return;
+      }
+    }
+  }
+  ////////////////////////////////////////////
+  // Read a generic serialisable object
+  ////////////////////////////////////////////
+  void readLimeObject(std::string &xmlstring,std::string record_name)
+  {
+    // should this be a do while; can we miss a first record??
+    while ( limeReaderNextRecord(LimeR) == LIME_SUCCESS ) { 
+
+      //      std::cout << GridLogMessage<< " readLimeObject seeking "<< record_name <<" found record :" <<limeReaderType(LimeR) <<std::endl;
+      uint64_t nbytes = limeReaderBytes(LimeR);//size of this record (configuration)
+
+      if ( !strncmp(limeReaderType(LimeR), record_name.c_str(),strlen(record_name.c_str()) )  ) {
+
+	//	std::cout << GridLogMessage<< " readLimeObject matches ! " << record_name <<std::endl;
+	std::vector<char> xmlc(nbytes+1,'\0');
+	limeReaderReadData((void *)&xmlc[0], &nbytes, LimeR);    
+	//	std::cout << GridLogMessage<< " readLimeObject matches XML " << &xmlc[0] <<std::endl;
+
+   xmlstring = std::string(&xmlc[0]);
+	return;
+      }
+
+    }  
+    assert(0);
+  }
+
+  template<class serialisable_object>
+  void readLimeObject(serialisable_object &object,std::string object_name,std::string record_name)
+  {
+    std::string xmlstring;
+
+    readLimeObject(xmlstring, record_name);
+	  XmlReader RD(xmlstring, true, "");
+	  read(RD,object_name,object);
+  }
+};
+
+class GridLimeWriter : public BinaryIO 
+{
+ public:
+
+   ///////////////////////////////////////////////////
+   // FIXME: format for RNG? Now just binary out instead
+   // FIXME: collective calls or not ?
+   //      : must know if I am the I/O boss
+   ///////////////////////////////////////////////////
+   FILE       *File;
+   LimeWriter *LimeW;
+   std::string filename;
+   bool        boss_node;
+   GridLimeWriter( bool isboss = true) {
+     boss_node = isboss;
+   }
+   void open(const std::string &_filename) { 
+     filename= _filename;
+     if ( boss_node ) {
+       File = fopen(filename.c_str(), "w");
+       LimeW = limeCreateWriter(File); assert(LimeW != NULL );
+     }
+   }
+   /////////////////////////////////////////////
+   // Close the file
+   /////////////////////////////////////////////
+   void close(void) {
+     if ( boss_node ) {
+       fclose(File);
+     }
+     //  limeDestroyWriter(LimeW);
+   }
+  ///////////////////////////////////////////////////////
+  // Lime utility functions
+  ///////////////////////////////////////////////////////
+  int createLimeRecordHeader(std::string message, int MB, int ME, size_t PayloadSize)
+  {
+    if ( boss_node ) {
+      LimeRecordHeader *h;
+      h = limeCreateHeader(MB, ME, const_cast<char *>(message.c_str()), PayloadSize);
+      assert(limeWriteRecordHeader(h, LimeW) >= 0);
+      limeDestroyHeader(h);
+    }
+    return LIME_SUCCESS;
+  }
+  ////////////////////////////////////////////
+  // Write a generic serialisable object
+  ////////////////////////////////////////////
+  void writeLimeObject(int MB,int ME,XmlWriter &writer,std::string object_name,std::string record_name)
+  {
+    if ( boss_node ) {
+      std::string xmlstring = writer.docString();
+
+      //    std::cout << "WriteLimeObject" << record_name <<std::endl;
+      uint64_t nbytes = xmlstring.size();
+      //    std::cout << " xmlstring "<< nbytes<< " " << xmlstring <<std::endl;
+      int err;
+      LimeRecordHeader *h = limeCreateHeader(MB, ME,const_cast<char *>(record_name.c_str()), nbytes); 
+      assert(h!= NULL);
+      
+      err=limeWriteRecordHeader(h, LimeW);                    assert(err>=0);
+      err=limeWriteRecordData(&xmlstring[0], &nbytes, LimeW); assert(err>=0);
+      err=limeWriterCloseRecord(LimeW);                       assert(err>=0);
+      limeDestroyHeader(h);
+    }
+  }
+
+  template<class serialisable_object>
+  void writeLimeObject(int MB,int ME,serialisable_object &object,std::string object_name,std::string record_name, const unsigned int scientificPrec = 0)
+  {
+    XmlWriter WR("","");
+
+    if (scientificPrec)
+    {
+      WR.scientificFormat(true);
+      WR.setPrecision(scientificPrec);
+    }
+    write(WR,object_name,object);
+    writeLimeObject(MB, ME, WR, object_name, record_name);
+  }
+  ////////////////////////////////////////////////////
+  // Write a generic lattice field and csum
+  // This routine is Collectively called by all nodes
+  // in communicator used by the field._grid
+  ////////////////////////////////////////////////////
+  template<class vobj>
+  void writeLimeLatticeBinaryObject(Lattice<vobj> &field,std::string record_name)
+  {
+    ////////////////////////////////////////////////////////////////////
+    // NB: FILE and iostream are jointly writing disjoint sequences in the
+    // the same file through different file handles (integer units).
+    // 
+    // These are both buffered, so why I think this code is right is as follows.
+    //
+    // i)  write record header to FILE *File, telegraphing the size; flush
+    // ii) ftello reads the offset from FILE *File . 
+    // iii) iostream / MPI Open independently seek this offset. Write sequence direct to disk.
+    //      Closes iostream and flushes.
+    // iv) fseek on FILE * to end of this disjoint section.
+    //  v) Continue writing scidac record.
+    ////////////////////////////////////////////////////////////////////
+    
+    GridBase *grid = field._grid;
+    assert(boss_node == field._grid->IsBoss() );
+
+    ////////////////////////////////////////////
+    // Create record header
+    ////////////////////////////////////////////
+    typedef typename vobj::scalar_object sobj;
+    int err;
+    uint32_t nersc_csum,scidac_csuma,scidac_csumb;
+    uint64_t PayloadSize = sizeof(sobj) * grid->_gsites;
+    if ( boss_node ) {
+      createLimeRecordHeader(record_name, 0, 0, PayloadSize);
+      fflush(File);
+    }
+    
+    //    std::cout << "W sizeof(sobj)"      <<sizeof(sobj)<<std::endl;
+    //    std::cout << "W Gsites "           <<field._grid->_gsites<<std::endl;
+    //    std::cout << "W Payload expected " <<PayloadSize<<std::endl;
+
+    ////////////////////////////////////////////////
+    // Check all nodes agree on file position
+    ////////////////////////////////////////////////
+    uint64_t offset1;
+    if ( boss_node ) {
+      offset1 = ftello(File);    
+    }
+    grid->Broadcast(0,(void *)&offset1,sizeof(offset1));
+
+    ///////////////////////////////////////////
+    // The above is collective. Write by other means into the binary record
+    ///////////////////////////////////////////
+    std::string format = getFormatString<vobj>();
+    BinarySimpleMunger<sobj,sobj> munge;
+    BinaryIO::writeLatticeObject<vobj,sobj>(field, filename, munge, offset1, format,nersc_csum,scidac_csuma,scidac_csumb);
+
+    ///////////////////////////////////////////
+    // Wind forward and close the record
+    ///////////////////////////////////////////
+    if ( boss_node ) {
+      fseek(File,0,SEEK_END);             
+      uint64_t offset2 = ftello(File);     //    std::cout << " now at offset "<<offset2 << std::endl;
+      assert( (offset2-offset1) == PayloadSize);
+    }
+
+    /////////////////////////////////////////////////////////////
+    // Check MPI-2 I/O did what we expect to file
+    /////////////////////////////////////////////////////////////
+
+    if ( boss_node ) { 
+      err=limeWriterCloseRecord(LimeW);  assert(err>=0);
+    }
+    ////////////////////////////////////////
+    // Write checksum element, propagaing forward from the BinaryIO
+    // Always pair a checksum with a binary object, and close message
+    ////////////////////////////////////////
+    scidacChecksum checksum;
+    std::stringstream streama; streama << std::hex << scidac_csuma;
+    std::stringstream streamb; streamb << std::hex << scidac_csumb;
+    checksum.suma= streama.str();
+    checksum.sumb= streamb.str();
+    if ( boss_node ) { 
+      writeLimeObject(0,1,checksum,std::string("scidacChecksum"),std::string(SCIDAC_CHECKSUM));
+    }
+  }
+};
+
+class ScidacWriter : public GridLimeWriter {
+ public:
+
+  ScidacWriter(bool isboss =true ) : GridLimeWriter(isboss)  { };
+
+  template<class SerialisableUserFile>
+  void writeScidacFileRecord(GridBase *grid,SerialisableUserFile &_userFile)
+  {
+    scidacFile    _scidacFile(grid);
+    if ( this->boss_node ) {
+      writeLimeObject(1,0,_scidacFile,_scidacFile.SerialisableClassName(),std::string(SCIDAC_PRIVATE_FILE_XML));
+      writeLimeObject(0,1,_userFile,_userFile.SerialisableClassName(),std::string(SCIDAC_FILE_XML));
+    }
+  }
+  ////////////////////////////////////////////////
+  // Write generic lattice field in scidac format
+  ////////////////////////////////////////////////
+  template <class vobj, class userRecord>
+  void writeScidacFieldRecord(Lattice<vobj> &field,userRecord _userRecord,
+                              const unsigned int recordScientificPrec = 0) 
+  {
+    GridBase * grid = field._grid;
+
+    ////////////////////////////////////////
+    // fill the Grid header
+    ////////////////////////////////////////
+    FieldMetaData header;
+    scidacRecord  _scidacRecord;
+    scidacFile    _scidacFile;
+
+    ScidacMetaData(field,header,_scidacRecord,_scidacFile);
+
+    //////////////////////////////////////////////
+    // Fill the Lime file record by record
+    //////////////////////////////////////////////
+    if ( this->boss_node ) {
+      writeLimeObject(1,0,header ,std::string("FieldMetaData"),std::string(GRID_FORMAT)); // Open message 
+      writeLimeObject(0,0,_userRecord,_userRecord.SerialisableClassName(),std::string(SCIDAC_RECORD_XML), recordScientificPrec);
+      writeLimeObject(0,0,_scidacRecord,_scidacRecord.SerialisableClassName(),std::string(SCIDAC_PRIVATE_RECORD_XML));
+    }
+    // Collective call
+    writeLimeLatticeBinaryObject(field,std::string(ILDG_BINARY_DATA));      // Closes message with checksum
+  }
+};
+
+
+class ScidacReader : public GridLimeReader {
+ public:
+
+   template<class SerialisableUserFile>
+   void readScidacFileRecord(GridBase *grid,SerialisableUserFile &_userFile)
+   {
+     scidacFile    _scidacFile(grid);
+     readLimeObject(_scidacFile,_scidacFile.SerialisableClassName(),std::string(SCIDAC_PRIVATE_FILE_XML));
+     readLimeObject(_userFile,_userFile.SerialisableClassName(),std::string(SCIDAC_FILE_XML));
+   }
+  ////////////////////////////////////////////////
+  // Write generic lattice field in scidac format
+  ////////////////////////////////////////////////
+  template <class vobj, class userRecord>
+  void readScidacFieldRecord(Lattice<vobj> &field,userRecord &_userRecord) 
+  {
+    typedef typename vobj::scalar_object sobj;
+    GridBase * grid = field._grid;
+
+    ////////////////////////////////////////
+    // fill the Grid header
+    ////////////////////////////////////////
+    FieldMetaData header;
+    scidacRecord  _scidacRecord;
+    scidacFile    _scidacFile;
+
+    //////////////////////////////////////////////
+    // Fill the Lime file record by record
+    //////////////////////////////////////////////
+    readLimeObject(header ,std::string("FieldMetaData"),std::string(GRID_FORMAT)); // Open message 
+    readLimeObject(_userRecord,_userRecord.SerialisableClassName(),std::string(SCIDAC_RECORD_XML));
+    readLimeObject(_scidacRecord,_scidacRecord.SerialisableClassName(),std::string(SCIDAC_PRIVATE_RECORD_XML));
+    readLimeLatticeBinaryObject(field,std::string(ILDG_BINARY_DATA));
+  }
+  void skipPastBinaryRecord(void) {
+    std::string rec_name(ILDG_BINARY_DATA);
+    while ( limeReaderNextRecord(LimeR) == LIME_SUCCESS ) { 
+      if ( !strncmp(limeReaderType(LimeR), rec_name.c_str(),strlen(rec_name.c_str()) )  ) {
+	skipPastObjectRecord(std::string(SCIDAC_CHECKSUM));
+	return;
+      }
+    }    
+  }
+  void skipPastObjectRecord(std::string rec_name) {
+    while ( limeReaderNextRecord(LimeR) == LIME_SUCCESS ) { 
+      if ( !strncmp(limeReaderType(LimeR), rec_name.c_str(),strlen(rec_name.c_str()) )  ) {
+	return;
+      }
+    }
+  }
+  void skipScidacFieldRecord() {
+    skipPastObjectRecord(std::string(GRID_FORMAT));
+    skipPastObjectRecord(std::string(SCIDAC_RECORD_XML));
+    skipPastObjectRecord(std::string(SCIDAC_PRIVATE_RECORD_XML));
+    skipPastBinaryRecord();
+  }
+};
+
+
+class IldgWriter : public ScidacWriter {
+ public:
+  
+  IldgWriter(bool isboss) : ScidacWriter(isboss) {};
+
+  ///////////////////////////////////
+  // A little helper
+  ///////////////////////////////////
+  void writeLimeIldgLFN(std::string &LFN)
+  {
+    uint64_t PayloadSize = LFN.size();
+    int err;
+    createLimeRecordHeader(ILDG_DATA_LFN, 0 , 0, PayloadSize);
+    err=limeWriteRecordData(const_cast<char*>(LFN.c_str()), &PayloadSize,LimeW); assert(err>=0);
+    err=limeWriterCloseRecord(LimeW); assert(err>=0);
+  }
+
+  ////////////////////////////////////////////////////////////////
+  // Special ILDG operations ; gauge configs only.
+  // Don't require scidac records EXCEPT checksum
+  // Use Grid MetaData object if present.
+  ////////////////////////////////////////////////////////////////
+  template <class vsimd>
+  void writeConfiguration(Lattice<iLorentzColourMatrix<vsimd> > &Umu,int sequence,std::string LFN,std::string description) 
+  {
+    GridBase * grid = Umu._grid;
+    typedef Lattice<iLorentzColourMatrix<vsimd> > GaugeField;
+    typedef iLorentzColourMatrix<vsimd> vobj;
+    typedef typename vobj::scalar_object sobj;
+
+    ////////////////////////////////////////
+    // fill the Grid header
+    ////////////////////////////////////////
+    FieldMetaData header;
+    scidacRecord  _scidacRecord;
+    scidacFile    _scidacFile;
+
+    ScidacMetaData(Umu,header,_scidacRecord,_scidacFile);
+
+    std::string format = header.floating_point;
+    header.ensemble_id    = description;
+    header.ensemble_label = description;
+    header.sequence_number = sequence;
+    header.ildg_lfn = LFN;
+
+    assert ( (format == std::string("IEEE32BIG"))  
+           ||(format == std::string("IEEE64BIG")) );
+
+    //////////////////////////////////////////////////////
+    // Fill ILDG header data struct
+    //////////////////////////////////////////////////////
+    ildgFormat ildgfmt ;
+    ildgfmt.field     = std::string("su3gauge");
+
+    if ( format == std::string("IEEE32BIG") ) { 
+      ildgfmt.precision = 32;
+    } else { 
+      ildgfmt.precision = 64;
+    }
+    ildgfmt.version = 1.0;
+    ildgfmt.lx = header.dimension[0];
+    ildgfmt.ly = header.dimension[1];
+    ildgfmt.lz = header.dimension[2];
+    ildgfmt.lt = header.dimension[3];
+    assert(header.nd==4);
+    assert(header.nd==header.dimension.size());
+
+    //////////////////////////////////////////////////////////////////////////////
+    // Fill the USQCD info field
+    //////////////////////////////////////////////////////////////////////////////
+    usqcdInfo info;
+    info.version=1.0;
+    info.plaq   = header.plaquette;
+    info.linktr = header.link_trace;
+
+    std::cout << GridLogMessage << " Writing config; IldgIO "<<std::endl;
+    //////////////////////////////////////////////
+    // Fill the Lime file record by record
+    //////////////////////////////////////////////
+    writeLimeObject(1,0,header ,std::string("FieldMetaData"),std::string(GRID_FORMAT)); // Open message 
+    writeLimeObject(0,0,_scidacFile,_scidacFile.SerialisableClassName(),std::string(SCIDAC_PRIVATE_FILE_XML));
+    writeLimeObject(0,1,info,info.SerialisableClassName(),std::string(SCIDAC_FILE_XML));
+    writeLimeObject(1,0,_scidacRecord,_scidacRecord.SerialisableClassName(),std::string(SCIDAC_PRIVATE_RECORD_XML));
+    writeLimeObject(0,0,info,info.SerialisableClassName(),std::string(SCIDAC_RECORD_XML));
+    writeLimeObject(0,0,ildgfmt,std::string("ildgFormat")   ,std::string(ILDG_FORMAT)); // rec
+    writeLimeIldgLFN(header.ildg_lfn);                                                 // rec
+    writeLimeLatticeBinaryObject(Umu,std::string(ILDG_BINARY_DATA));      // Closes message with checksum
+    //    limeDestroyWriter(LimeW);
+  }
+};
+
+class IldgReader : public GridLimeReader {
+ public:
+
+  ////////////////////////////////////////////////////////////////
+  // Read either Grid/SciDAC/ILDG configuration
+  // Don't require scidac records EXCEPT checksum
+  // Use Grid MetaData object if present.
+  // Else use ILDG MetaData object if present.
+  // Else use SciDAC MetaData object if present.
+  ////////////////////////////////////////////////////////////////
+  template <class vsimd>
+  void readConfiguration(Lattice<iLorentzColourMatrix<vsimd> > &Umu, FieldMetaData &FieldMetaData_) {
+
+    typedef Lattice<iLorentzColourMatrix<vsimd> > GaugeField;
+    typedef typename GaugeField::vector_object  vobj;
+    typedef typename vobj::scalar_object sobj;
+
+    typedef LorentzColourMatrixF fobj;
+    typedef LorentzColourMatrixD dobj;
+
+    GridBase *grid = Umu._grid;
+
+    std::vector<int> dims = Umu._grid->FullDimensions();
+
+    assert(dims.size()==4);
+
+    // Metadata holders
+    ildgFormat     ildgFormat_    ;
+    std::string    ildgLFN_       ;
+    scidacChecksum scidacChecksum_; 
+    usqcdInfo      usqcdInfo_     ;
+
+    // track what we read from file
+    int found_ildgFormat    =0;
+    int found_ildgLFN       =0;
+    int found_scidacChecksum=0;
+    int found_usqcdInfo     =0;
+    int found_ildgBinary =0;
+    int found_FieldMetaData =0;
+
+    uint32_t nersc_csum;
+    uint32_t scidac_csuma;
+    uint32_t scidac_csumb;
+
+    // Binary format
+    std::string format;
+
+    //////////////////////////////////////////////////////////////////////////
+    // Loop over all records
+    // -- Order is poorly guaranteed except ILDG header preceeds binary section.
+    // -- Run like an event loop.
+    // -- Impose trust hierarchy. Grid takes precedence & look for ILDG, and failing
+    //    that Scidac. 
+    // -- Insist on Scidac checksum record.
+    //////////////////////////////////////////////////////////////////////////
+
+    while ( limeReaderNextRecord(LimeR) == LIME_SUCCESS ) { 
+
+      uint64_t nbytes = limeReaderBytes(LimeR);//size of this record (configuration)
+      
+      //////////////////////////////////////////////////////////////////
+      // If not BINARY_DATA read a string and parse
+      //////////////////////////////////////////////////////////////////
+      if ( strncmp(limeReaderType(LimeR), ILDG_BINARY_DATA,strlen(ILDG_BINARY_DATA) )  ) {
+	
+	// Copy out the string
+	std::vector<char> xmlc(nbytes+1,'\0');
+	limeReaderReadData((void *)&xmlc[0], &nbytes, LimeR);    
+	//	std::cout << GridLogMessage<< "Non binary record :" <<limeReaderType(LimeR) <<std::endl; //<<"\n"<<(&xmlc[0])<<std::endl;
+
+	//////////////////////////////////
+	// ILDG format record
+
+  std::string xmlstring(&xmlc[0]);
+	if ( !strncmp(limeReaderType(LimeR), ILDG_FORMAT,strlen(ILDG_FORMAT)) ) { 
+
+	  XmlReader RD(xmlstring, true, "");
+	  read(RD,"ildgFormat",ildgFormat_);
+
+	  if ( ildgFormat_.precision == 64 ) format = std::string("IEEE64BIG");
+	  if ( ildgFormat_.precision == 32 ) format = std::string("IEEE32BIG");
+
+	  assert( ildgFormat_.lx == dims[0]);
+	  assert( ildgFormat_.ly == dims[1]);
+	  assert( ildgFormat_.lz == dims[2]);
+	  assert( ildgFormat_.lt == dims[3]);
+
+	  found_ildgFormat = 1;
+	}
+
+	if ( !strncmp(limeReaderType(LimeR), ILDG_DATA_LFN,strlen(ILDG_DATA_LFN)) ) {
+	  FieldMetaData_.ildg_lfn = xmlstring;
+	  found_ildgLFN = 1;
+	}
+
+	if ( !strncmp(limeReaderType(LimeR), GRID_FORMAT,strlen(ILDG_FORMAT)) ) { 
+
+	  XmlReader RD(xmlstring, true, "");
+	  read(RD,"FieldMetaData",FieldMetaData_);
+
+	  format = FieldMetaData_.floating_point;
+
+	  assert(FieldMetaData_.dimension[0] == dims[0]);
+	  assert(FieldMetaData_.dimension[1] == dims[1]);
+	  assert(FieldMetaData_.dimension[2] == dims[2]);
+	  assert(FieldMetaData_.dimension[3] == dims[3]);
+
+	  found_FieldMetaData = 1;
+	}
+
+	if ( !strncmp(limeReaderType(LimeR), SCIDAC_RECORD_XML,strlen(SCIDAC_RECORD_XML)) ) { 
+	  // is it a USQCD info field
+	  if ( xmlstring.find(std::string("usqcdInfo")) != std::string::npos ) { 
+	    //	    std::cout << GridLogMessage<<"...found a usqcdInfo field"<<std::endl;
+	    XmlReader RD(xmlstring, true, "");
+	    read(RD,"usqcdInfo",usqcdInfo_);
+	    found_usqcdInfo = 1;
+	  }
+	}
+
+	if ( !strncmp(limeReaderType(LimeR), SCIDAC_CHECKSUM,strlen(SCIDAC_CHECKSUM)) ) { 
+	  XmlReader RD(xmlstring, true, "");
+	  read(RD,"scidacChecksum",scidacChecksum_);
+	  found_scidacChecksum = 1;
+	}
+
+      } else {  
+	/////////////////////////////////
+	// Binary data
+	/////////////////////////////////
+	std::cout << GridLogMessage << "ILDG Binary record found : "  ILDG_BINARY_DATA << std::endl;
+	uint64_t offset= ftello(File);
+	if ( format == std::string("IEEE64BIG") ) {
+	  GaugeSimpleMunger<dobj, sobj> munge;
+	  BinaryIO::readLatticeObject< vobj, dobj >(Umu, filename, munge, offset, format,nersc_csum,scidac_csuma,scidac_csumb);
+	} else { 
+	  GaugeSimpleMunger<fobj, sobj> munge;
+	  BinaryIO::readLatticeObject< vobj, fobj >(Umu, filename, munge, offset, format,nersc_csum,scidac_csuma,scidac_csumb);
+	}
+
+	found_ildgBinary = 1;
+      }
+
+    }
+
+    //////////////////////////////////////////////////////
+    // Minimally must find binary segment and checksum
+    // Since this is an ILDG reader require ILDG format
+    //////////////////////////////////////////////////////
+    assert(found_ildgBinary);
+    assert(found_ildgFormat);
+    assert(found_scidacChecksum);
+
+    // Must find something with the lattice dimensions
+    assert(found_FieldMetaData||found_ildgFormat);
+
+    if ( found_FieldMetaData ) {
+
+      std::cout << GridLogMessage<<"Grid MetaData was record found: configuration was probably written by Grid ! Yay ! "<<std::endl;
+
+    } else { 
+
+      assert(found_ildgFormat);
+      assert ( ildgFormat_.field == std::string("su3gauge") );
+
+      ///////////////////////////////////////////////////////////////////////////////////////
+      // Populate our Grid metadata as best we can
+      ///////////////////////////////////////////////////////////////////////////////////////
+
+      std::ostringstream vers; vers << ildgFormat_.version;
+      FieldMetaData_.hdr_version = vers.str();
+      FieldMetaData_.data_type = std::string("4D_SU3_GAUGE_3X3");
+
+      FieldMetaData_.nd=4;
+      FieldMetaData_.dimension.resize(4);
+
+      FieldMetaData_.dimension[0] = ildgFormat_.lx ;
+      FieldMetaData_.dimension[1] = ildgFormat_.ly ;
+      FieldMetaData_.dimension[2] = ildgFormat_.lz ;
+      FieldMetaData_.dimension[3] = ildgFormat_.lt ;
+
+      if ( found_usqcdInfo ) { 
+	FieldMetaData_.plaquette = usqcdInfo_.plaq;
+	FieldMetaData_.link_trace= usqcdInfo_.linktr;
+	std::cout << GridLogMessage <<"This configuration was probably written by USQCD "<<std::endl;
+	std::cout << GridLogMessage <<"USQCD xml record Plaquette : "<<FieldMetaData_.plaquette<<std::endl;
+	std::cout << GridLogMessage <<"USQCD xml record LinkTrace : "<<FieldMetaData_.link_trace<<std::endl;
+      } else { 
+	FieldMetaData_.plaquette = 0.0;
+	FieldMetaData_.link_trace= 0.0;
+	std::cout << GridLogWarning << "This configuration is unsafe with no plaquette records that can verify it !!! "<<std::endl;
+      }
+    }
+
+    ////////////////////////////////////////////////////////////
+    // Really really want to mandate a scidac checksum
+    ////////////////////////////////////////////////////////////
+    if ( found_scidacChecksum ) {
+      FieldMetaData_.scidac_checksuma = stoull(scidacChecksum_.suma,0,16);
+      FieldMetaData_.scidac_checksumb = stoull(scidacChecksum_.sumb,0,16);
+      scidacChecksumVerify(scidacChecksum_,scidac_csuma,scidac_csumb);
+      assert( scidac_csuma ==FieldMetaData_.scidac_checksuma);
+      assert( scidac_csumb ==FieldMetaData_.scidac_checksumb);
+      std::cout << GridLogMessage<<"SciDAC checksums match " << std::endl;
+    } else { 
+      std::cout << GridLogWarning<<"SciDAC checksums not found. This is unsafe. " << std::endl;
+      assert(0); // Can I insist always checksum ?
+    }
+
+    if ( found_FieldMetaData || found_usqcdInfo ) {
+      FieldMetaData checker;
+      GaugeStatistics(Umu,checker);
+      assert(fabs(checker.plaquette  - FieldMetaData_.plaquette )<1.0e-5);
+      assert(fabs(checker.link_trace - FieldMetaData_.link_trace)<1.0e-5);
+      std::cout << GridLogMessage<<"Plaquette and link trace match " << std::endl;
+    }
+  }
+ };
+
+}}
+
+//HAVE_LIME
+#endif
+
+#endif

Grid/parallelIO/IldgIOtypes.h

@@ -0,0 +1,237 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/parallelIO/IldgIO.h
+
+Copyright (C) 2015
+
+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_ILDGTYPES_IO_H
+#define GRID_ILDGTYPES_IO_H
+
+#ifdef HAVE_LIME
+extern "C" { // for linkage
+#include "lime.h"
+}
+
+namespace Grid {
+
+/////////////////////////////////////////////////////////////////////////////////
+// Data representation of records that enter ILDG and SciDac formats
+/////////////////////////////////////////////////////////////////////////////////
+
+#define GRID_FORMAT      "grid-format"
+#define ILDG_FORMAT      "ildg-format"
+#define ILDG_BINARY_DATA "ildg-binary-data"
+#define ILDG_DATA_LFN    "ildg-data-lfn"
+#define SCIDAC_CHECKSUM           "scidac-checksum"
+#define SCIDAC_PRIVATE_FILE_XML   "scidac-private-file-xml"
+#define SCIDAC_FILE_XML           "scidac-file-xml"
+#define SCIDAC_PRIVATE_RECORD_XML "scidac-private-record-xml"
+#define SCIDAC_RECORD_XML         "scidac-record-xml"
+#define SCIDAC_BINARY_DATA        "scidac-binary-data"
+// Unused SCIDAC records names; could move to support this functionality
+#define SCIDAC_SITELIST           "scidac-sitelist"
+
+  ////////////////////////////////////////////////////////////
+  const int GRID_IO_SINGLEFILE = 0; // hardcode lift from QIO compat
+  const int GRID_IO_MULTIFILE  = 1; // hardcode lift from QIO compat
+  const int GRID_IO_FIELD      = 0; // hardcode lift from QIO compat
+  const int GRID_IO_GLOBAL     = 1; // hardcode lift from QIO compat
+  ////////////////////////////////////////////////////////////
+
+/////////////////////////////////////////////////////////////////////////////////
+// QIO uses mandatory "private" records fixed format
+// Private is in principle "opaque" however it can't be changed now because that would break existing 
+// file compatability, so should be correct to assume the undocumented but defacto file structure.
+/////////////////////////////////////////////////////////////////////////////////
+
+struct emptyUserRecord : Serializable { 
+  GRID_SERIALIZABLE_CLASS_MEMBERS(emptyUserRecord,int,dummy);
+  emptyUserRecord() { dummy=0; };
+};
+
+////////////////////////
+// Scidac private file xml
+// <?xml version="1.0" encoding="UTF-8"?><scidacFile><version>1.1</version><spacetime>4</spacetime><dims>16 16 16 32 </dims><volfmt>0</volfmt></scidacFile>
+////////////////////////
+struct scidacFile : Serializable {
+ public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(scidacFile,
+                                  double, version,
+                                  int, spacetime,
+				  std::string, dims, // must convert to int
+                                  int, volfmt);
+
+  std::vector<int> getDimensions(void) { 
+    std::stringstream stream(dims);
+    std::vector<int> dimensions;
+    int n;
+    while(stream >> n){
+      dimensions.push_back(n);
+    }
+    return dimensions;
+  }
+
+  void setDimensions(std::vector<int> dimensions) { 
+    char delimiter = ' ';
+    std::stringstream stream;
+    for(int i=0;i<dimensions.size();i++){ 
+      stream << dimensions[i];
+      if ( i != dimensions.size()-1) { 
+	stream << delimiter <<std::endl;
+      }
+    }
+    dims = stream.str();
+  }
+
+  // Constructor provides Grid
+  scidacFile() =default; // default constructor
+  scidacFile(GridBase * grid){
+    version      = 1.0;
+    spacetime    = grid->_ndimension;
+    setDimensions(grid->FullDimensions()); 
+    volfmt       = GRID_IO_SINGLEFILE;
+  }
+
+};
+
+///////////////////////////////////////////////////////////////////////
+// scidac-private-record-xml : example
+// <scidacRecord>
+// <version>1.1</version><date>Tue Jul 26 21:14:44 2011 UTC</date><recordtype>0</recordtype>
+// <datatype>QDP_D3_ColorMatrix</datatype><precision>D</precision><colors>3</colors><spins>4</spins>
+// <typesize>144</typesize><datacount>4</datacount>
+// </scidacRecord>
+///////////////////////////////////////////////////////////////////////
+
+struct scidacRecord : Serializable {
+ public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(scidacRecord,
+                                  double, version,
+                                  std::string, date,
+				  int, recordtype,
+				  std::string, datatype,
+				  std::string, precision,
+				  int, colors,
+				  int, spins,
+				  int, typesize,
+				  int, datacount);
+
+  scidacRecord()
+  : version(1.0), recordtype(0), colors(0), spins(0), typesize(0), datacount(0)
+  {}
+};
+
+////////////////////////
+// ILDG format
+////////////////////////
+struct ildgFormat : Serializable {
+public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(ildgFormat,
+				  double, version,
+				  std::string, field,
+				  int, precision,
+				  int, lx,
+				  int, ly,
+				  int, lz,
+				  int, lt);
+  ildgFormat() { version=1.0; };
+};
+////////////////////////
+// USQCD info
+////////////////////////
+struct usqcdInfo : Serializable { 
+ public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(usqcdInfo,
+				  double, version,
+				  double, plaq,
+				  double, linktr,
+				  std::string, info);
+  usqcdInfo() { 
+    version=1.0; 
+  };
+};
+////////////////////////
+// Scidac Checksum
+////////////////////////
+struct scidacChecksum : Serializable { 
+ public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(scidacChecksum,
+				  double, version,
+				  std::string, suma,
+				  std::string, sumb);
+  scidacChecksum() { 
+    version=1.0; 
+  };
+};
+////////////////////////////////////////////////////////////////////////////////////////////////////////////////
+// Type:           scidac-file-xml         <title>MILC ILDG archival gauge configuration</title>
+////////////////////////////////////////////////////////////////////////////////////////////////////////////////
+
+////////////////////////////////////////////////////////////////////////////////////////////////////////////////
+// Type:           
+////////////////////////////////////////////////////////////////////////////////////////////////////////////////
+
+////////////////////////
+// Scidac private file xml 
+// <?xml version="1.0" encoding="UTF-8"?><scidacFile><version>1.1</version><spacetime>4</spacetime><dims>16 16 16 32 </dims><volfmt>0</volfmt></scidacFile> 
+////////////////////////                                                                                                                                                                              
+
+#if 0
+////////////////////////////////////////////////////////////////////////////////////////
+// From http://www.physics.utah.edu/~detar/scidac/qio_2p3.pdf
+////////////////////////////////////////////////////////////////////////////////////////
+struct usqcdPropFile : Serializable { 
+ public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(usqcdPropFile,
+				  double, version,
+				  std::string, type,
+				  std::string, info);
+  usqcdPropFile() { 
+    version=1.0; 
+  };
+};
+struct usqcdSourceInfo : Serializable { 
+ public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(usqcdSourceInfo,
+				  double, version,
+				  std::string, info);
+  usqcdSourceInfo() { 
+    version=1.0; 
+  };
+};
+struct usqcdPropInfo : Serializable { 
+ public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(usqcdPropInfo,
+				  double, version,
+				  int, spin,
+				  int, color,
+				  std::string, info);
+  usqcdPropInfo() { 
+    version=1.0; 
+  };
+};
+#endif
+
+}
+#endif
+#endif

Grid/parallelIO/MetaData.h

@@ -0,0 +1,327 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/parallelIO/NerscIO.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 */
+
+#include <algorithm>
+#include <iostream>
+#include <iomanip>
+#include <fstream>
+#include <map>
+#include <unistd.h>
+#include <sys/utsname.h>
+#include <pwd.h>
+
+namespace Grid {
+
+  ///////////////////////////////////////////////////////
+  // Precision mapping
+  ///////////////////////////////////////////////////////
+  template<class vobj> static std::string getFormatString (void)
+  {
+    std::string format;
+    typedef typename getPrecision<vobj>::real_scalar_type stype;
+    if ( sizeof(stype) == sizeof(float) ) {
+      format = std::string("IEEE32BIG");
+    }
+    if ( sizeof(stype) == sizeof(double) ) {
+      format = std::string("IEEE64BIG");
+    }
+    return format;
+  }
+  ////////////////////////////////////////////////////////////////////////////////
+  // header specification/interpretation
+  ////////////////////////////////////////////////////////////////////////////////
+    class FieldMetaData : Serializable {
+    public:
+
+      GRID_SERIALIZABLE_CLASS_MEMBERS(FieldMetaData,
+				      int, nd,
+				      std::vector<int>, dimension,
+				      std::vector<std::string>, boundary,
+				      int, data_start,
+				      std::string, hdr_version,
+				      std::string, storage_format,
+				      double, link_trace,
+				      double, plaquette,
+				      uint32_t, checksum,
+				      uint32_t, scidac_checksuma,
+				      uint32_t, scidac_checksumb,
+				      unsigned int, sequence_number,
+				      std::string, data_type,
+				      std::string, ensemble_id,
+				      std::string, ensemble_label,
+				      std::string, ildg_lfn,
+				      std::string, creator,
+				      std::string, creator_hardware,
+				      std::string, creation_date,
+				      std::string, archive_date,
+				      std::string, floating_point);
+      // WARNING: non-initialised values might lead to twisted parallel IO
+      // issues, std::string are fine because they initliase to size 0
+      // as per C++ standard.
+      FieldMetaData(void) 
+      : nd(4), dimension(4,0), boundary(4, ""), data_start(0),
+      link_trace(0.), plaquette(0.), checksum(0),
+      scidac_checksuma(0), scidac_checksumb(0), sequence_number(0)
+      {}
+    };
+
+  namespace QCD {
+
+    using namespace Grid;
+
+
+    //////////////////////////////////////////////////////////////////////
+    // Bit and Physical Checksumming and QA of data
+    //////////////////////////////////////////////////////////////////////
+    inline void GridMetaData(GridBase *grid,FieldMetaData &header)
+    {
+      int nd = grid->_ndimension;
+      header.nd = nd;
+      header.dimension.resize(nd);
+      header.boundary.resize(nd);
+      header.data_start = 0;
+      for(int d=0;d<nd;d++) {
+	header.dimension[d] = grid->_fdimensions[d];
+      }
+      for(int d=0;d<nd;d++) {
+	header.boundary[d] = std::string("PERIODIC");
+      }
+    }
+
+    inline void MachineCharacteristics(FieldMetaData &header)
+    {
+      // Who
+      struct passwd *pw = getpwuid (getuid());
+      if (pw) header.creator = std::string(pw->pw_name); 
+
+      // When
+      std::time_t t = std::time(nullptr);
+      std::tm tm_ = *std::localtime(&t);
+      std::ostringstream oss; 
+      //      oss << std::put_time(&tm_, "%c %Z");
+      header.creation_date = oss.str();
+      header.archive_date  = header.creation_date;
+
+      // What
+      struct utsname name;  uname(&name);
+      header.creator_hardware = std::string(name.nodename)+"-";
+      header.creator_hardware+= std::string(name.machine)+"-";
+      header.creator_hardware+= std::string(name.sysname)+"-";
+      header.creator_hardware+= std::string(name.release);
+    }
+
+#define dump_meta_data(field, s)					\
+      s << "BEGIN_HEADER"      << std::endl;				\
+      s << "HDR_VERSION = "    << field.hdr_version    << std::endl;	\
+      s << "DATATYPE = "       << field.data_type      << std::endl;	\
+      s << "STORAGE_FORMAT = " << field.storage_format << std::endl;	\
+      for(int i=0;i<4;i++){						\
+	s << "DIMENSION_" << i+1 << " = " << field.dimension[i] << std::endl ; \
+      }									\
+      s << "LINK_TRACE = " << std::setprecision(10) << field.link_trace << std::endl; \
+      s << "PLAQUETTE  = " << std::setprecision(10) << field.plaquette  << std::endl; \
+      for(int i=0;i<4;i++){						\
+	s << "BOUNDARY_"<<i+1<<" = " << field.boundary[i] << std::endl;	\
+      }									\
+									\
+      s << "CHECKSUM = "<< std::hex << std::setw(10) << field.checksum << std::dec<<std::endl; \
+      s << "SCIDAC_CHECKSUMA = "<< std::hex << std::setw(10) << field.scidac_checksuma << std::dec<<std::endl; \
+      s << "SCIDAC_CHECKSUMB = "<< std::hex << std::setw(10) << field.scidac_checksumb << std::dec<<std::endl; \
+      s << "ENSEMBLE_ID = "     << field.ensemble_id      << std::endl;	\
+      s << "ENSEMBLE_LABEL = "  << field.ensemble_label   << std::endl;	\
+      s << "SEQUENCE_NUMBER = " << field.sequence_number  << std::endl;	\
+      s << "CREATOR = "         << field.creator          << std::endl;	\
+      s << "CREATOR_HARDWARE = "<< field.creator_hardware << std::endl;	\
+      s << "CREATION_DATE = "   << field.creation_date    << std::endl;	\
+      s << "ARCHIVE_DATE = "    << field.archive_date     << std::endl;	\
+      s << "FLOATING_POINT = "  << field.floating_point   << std::endl;	\
+      s << "END_HEADER"         << std::endl;
+
+template<class vobj> inline void PrepareMetaData(Lattice<vobj> & field, FieldMetaData &header)
+{
+  GridBase *grid = field._grid;
+  std::string format = getFormatString<vobj>();
+   header.floating_point = format;
+   header.checksum = 0x0; // Nersc checksum unused in ILDG, Scidac
+   GridMetaData(grid,header); 
+   MachineCharacteristics(header);
+ }
+ inline void GaugeStatistics(Lattice<vLorentzColourMatrixF> & data,FieldMetaData &header)
+ {
+   // How to convert data precision etc...
+   header.link_trace=Grid::QCD::WilsonLoops<PeriodicGimplF>::linkTrace(data);
+   header.plaquette =Grid::QCD::WilsonLoops<PeriodicGimplF>::avgPlaquette(data);
+ }
+ inline void GaugeStatistics(Lattice<vLorentzColourMatrixD> & data,FieldMetaData &header)
+ {
+   // How to convert data precision etc...
+   header.link_trace=Grid::QCD::WilsonLoops<PeriodicGimplD>::linkTrace(data);
+   header.plaquette =Grid::QCD::WilsonLoops<PeriodicGimplD>::avgPlaquette(data);
+ }
+ template<> inline void PrepareMetaData<vLorentzColourMatrixF>(Lattice<vLorentzColourMatrixF> & field, FieldMetaData &header)
+ {
+   
+   GridBase *grid = field._grid;
+   std::string format = getFormatString<vLorentzColourMatrixF>();
+   header.floating_point = format;
+   header.checksum = 0x0; // Nersc checksum unused in ILDG, Scidac
+   GridMetaData(grid,header); 
+   GaugeStatistics(field,header);
+   MachineCharacteristics(header);
+ }
+ template<> inline void PrepareMetaData<vLorentzColourMatrixD>(Lattice<vLorentzColourMatrixD> & field, FieldMetaData &header)
+ {
+   GridBase *grid = field._grid;
+   std::string format = getFormatString<vLorentzColourMatrixD>();
+   header.floating_point = format;
+   header.checksum = 0x0; // Nersc checksum unused in ILDG, Scidac
+   GridMetaData(grid,header); 
+   GaugeStatistics(field,header);
+   MachineCharacteristics(header);
+ }
+
+    //////////////////////////////////////////////////////////////////////
+    // Utilities ; these are QCD aware
+    //////////////////////////////////////////////////////////////////////
+    inline void reconstruct3(LorentzColourMatrix & cm)
+    {
+      const int x=0;
+      const int y=1;
+      const int z=2;
+      for(int mu=0;mu<Nd;mu++){
+	cm(mu)()(2,x) = adj(cm(mu)()(0,y)*cm(mu)()(1,z)-cm(mu)()(0,z)*cm(mu)()(1,y)); //x= yz-zy
+	cm(mu)()(2,y) = adj(cm(mu)()(0,z)*cm(mu)()(1,x)-cm(mu)()(0,x)*cm(mu)()(1,z)); //y= zx-xz
+	cm(mu)()(2,z) = adj(cm(mu)()(0,x)*cm(mu)()(1,y)-cm(mu)()(0,y)*cm(mu)()(1,x)); //z= xy-yx
+      }
+    }
+
+    ////////////////////////////////////////////////////////////////////////////////
+    // Some data types for intermediate storage
+    ////////////////////////////////////////////////////////////////////////////////
+    template<typename vtype> using iLorentzColour2x3 = iVector<iVector<iVector<vtype, Nc>, 2>, Nd >;
+
+    typedef iLorentzColour2x3<Complex>  LorentzColour2x3;
+    typedef iLorentzColour2x3<ComplexF> LorentzColour2x3F;
+    typedef iLorentzColour2x3<ComplexD> LorentzColour2x3D;
+
+/////////////////////////////////////////////////////////////////////////////////
+// Simple classes for precision conversion
+/////////////////////////////////////////////////////////////////////////////////
+template <class fobj, class sobj>
+struct BinarySimpleUnmunger {
+  typedef typename getPrecision<fobj>::real_scalar_type fobj_stype;
+  typedef typename getPrecision<sobj>::real_scalar_type sobj_stype;
+  
+  void operator()(sobj &in, fobj &out) {
+    // take word by word and transform accoding to the status
+    fobj_stype *out_buffer = (fobj_stype *)&out;
+    sobj_stype *in_buffer = (sobj_stype *)&in;
+    size_t fobj_words = sizeof(out) / sizeof(fobj_stype);
+    size_t sobj_words = sizeof(in) / sizeof(sobj_stype);
+    assert(fobj_words == sobj_words);
+    
+    for (unsigned int word = 0; word < sobj_words; word++)
+      out_buffer[word] = in_buffer[word];  // type conversion on the fly
+    
+  }
+};
+
+template <class fobj, class sobj>
+struct BinarySimpleMunger {
+  typedef typename getPrecision<fobj>::real_scalar_type fobj_stype;
+  typedef typename getPrecision<sobj>::real_scalar_type sobj_stype;
+
+  void operator()(fobj &in, sobj &out) {
+    // take word by word and transform accoding to the status
+    fobj_stype *in_buffer = (fobj_stype *)&in;
+    sobj_stype *out_buffer = (sobj_stype *)&out;
+    size_t fobj_words = sizeof(in) / sizeof(fobj_stype);
+    size_t sobj_words = sizeof(out) / sizeof(sobj_stype);
+    assert(fobj_words == sobj_words);
+    
+    for (unsigned int word = 0; word < sobj_words; word++)
+      out_buffer[word] = in_buffer[word];  // type conversion on the fly
+    
+  }
+};
+
+
+    template<class fobj,class sobj>
+    struct GaugeSimpleMunger{
+      void operator()(fobj &in, sobj &out) {
+        for (int mu = 0; mu < Nd; mu++) {
+          for (int i = 0; i < Nc; i++) {
+          for (int j = 0; j < Nc; j++) {
+	    out(mu)()(i, j) = in(mu)()(i, j);
+	  }}
+        }
+      };
+    };
+
+    template <class fobj, class sobj>
+    struct GaugeSimpleUnmunger {
+
+      void operator()(sobj &in, fobj &out) {
+        for (int mu = 0; mu < Nd; mu++) {
+          for (int i = 0; i < Nc; i++) {
+          for (int j = 0; j < Nc; j++) {
+	    out(mu)()(i, j) = in(mu)()(i, j);
+	  }}
+        }
+      };
+    };
+
+    template<class fobj,class sobj>
+    struct Gauge3x2munger{
+      void operator() (fobj &in,sobj &out){
+	for(int mu=0;mu<Nd;mu++){
+	  for(int i=0;i<2;i++){
+	  for(int j=0;j<3;j++){
+	    out(mu)()(i,j) = in(mu)(i)(j);
+	  }}
+	}
+	reconstruct3(out);
+      }
+    };
+
+    template<class fobj,class sobj>
+    struct Gauge3x2unmunger{
+      void operator() (sobj &in,fobj &out){
+	for(int mu=0;mu<Nd;mu++){
+	  for(int i=0;i<2;i++){
+	  for(int j=0;j<3;j++){
+	    out(mu)(i)(j) = in(mu)()(i,j);
+	  }}
+	}
+      }
+    };
+  }
+
+
+}

Grid/parallelIO/NerscIO.h

@@ -0,0 +1,363 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/parallelIO/NerscIO.h
+
+    Copyright (C) 2015
+
+    Author: Matt Spraggs <matthew.spraggs@gmail.com>
+    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_NERSC_IO_H
+#define GRID_NERSC_IO_H
+
+namespace Grid {
+  namespace QCD {
+
+    using namespace Grid;
+
+    ////////////////////////////////////////////////////////////////////////////////
+    // Write and read from fstream; comput header offset for payload
+    ////////////////////////////////////////////////////////////////////////////////
+    class NerscIO : public BinaryIO { 
+    public:
+
+      static inline void truncate(std::string file){
+	std::ofstream fout(file,std::ios::out);
+      }
+  
+      static inline unsigned int writeHeader(FieldMetaData &field,std::string file)
+      {
+      std::ofstream fout(file,std::ios::out|std::ios::in);
+      fout.seekp(0,std::ios::beg);
+      dump_meta_data(field, fout);
+      field.data_start = fout.tellp();
+      return field.data_start;
+    }
+
+      // for the header-reader
+      static inline int readHeader(std::string file,GridBase *grid,  FieldMetaData &field)
+      {
+      uint64_t offset=0;
+      std::map<std::string,std::string> header;
+      std::string line;
+
+      //////////////////////////////////////////////////
+      // read the header
+      //////////////////////////////////////////////////
+      std::ifstream fin(file);
+
+      getline(fin,line); // read one line and insist is 
+
+      removeWhitespace(line);
+      std::cout << GridLogMessage << "* " << line << std::endl;
+
+      assert(line==std::string("BEGIN_HEADER"));
+
+      do {
+      getline(fin,line); // read one line
+      std::cout << GridLogMessage << "* "<<line<< std::endl;
+      int eq = line.find("=");
+      if(eq >0) {
+      std::string key=line.substr(0,eq);
+      std::string val=line.substr(eq+1);
+      removeWhitespace(key);
+      removeWhitespace(val);
+      
+      header[key] = val;
+    }
+    } while( line.find("END_HEADER") == std::string::npos );
+
+      field.data_start = fin.tellg();
+
+      //////////////////////////////////////////////////
+      // chomp the values
+      //////////////////////////////////////////////////
+      field.hdr_version    = header["HDR_VERSION"];
+      field.data_type      = header["DATATYPE"];
+      field.storage_format = header["STORAGE_FORMAT"];
+  
+      field.dimension[0] = std::stol(header["DIMENSION_1"]);
+      field.dimension[1] = std::stol(header["DIMENSION_2"]);
+      field.dimension[2] = std::stol(header["DIMENSION_3"]);
+      field.dimension[3] = std::stol(header["DIMENSION_4"]);
+
+      assert(grid->_ndimension == 4);
+      for(int d=0;d<4;d++){
+      assert(grid->_fdimensions[d]==field.dimension[d]);
+    }
+
+      field.link_trace = std::stod(header["LINK_TRACE"]);
+      field.plaquette  = std::stod(header["PLAQUETTE"]);
+
+      field.boundary[0] = header["BOUNDARY_1"];
+      field.boundary[1] = header["BOUNDARY_2"];
+      field.boundary[2] = header["BOUNDARY_3"];
+      field.boundary[3] = header["BOUNDARY_4"];
+
+      field.checksum = std::stoul(header["CHECKSUM"],0,16);
+      field.ensemble_id      = header["ENSEMBLE_ID"];
+      field.ensemble_label   = header["ENSEMBLE_LABEL"];
+      field.sequence_number  = std::stol(header["SEQUENCE_NUMBER"]);
+      field.creator          = header["CREATOR"];
+      field.creator_hardware = header["CREATOR_HARDWARE"];
+      field.creation_date    = header["CREATION_DATE"];
+      field.archive_date     = header["ARCHIVE_DATE"];
+      field.floating_point   = header["FLOATING_POINT"];
+
+      return field.data_start;
+    }
+
+    /////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
+    // Now the meat: the object readers
+    /////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
+
+    template<class vsimd>
+    static inline void readConfiguration(Lattice<iLorentzColourMatrix<vsimd> > &Umu,
+					 FieldMetaData& header,
+					 std::string file)
+    {
+      typedef Lattice<iLorentzColourMatrix<vsimd> > GaugeField;
+
+      GridBase *grid = Umu._grid;
+      uint64_t offset = readHeader(file,Umu._grid,header);
+
+      FieldMetaData clone(header);
+
+      std::string format(header.floating_point);
+
+      int ieee32big = (format == std::string("IEEE32BIG"));
+      int ieee32    = (format == std::string("IEEE32"));
+      int ieee64big = (format == std::string("IEEE64BIG"));
+      int ieee64    = (format == std::string("IEEE64"));
+
+      uint32_t nersc_csum,scidac_csuma,scidac_csumb;
+      // depending on datatype, set up munger;
+      // munger is a function of <floating point, Real, data_type>
+      if ( header.data_type == std::string("4D_SU3_GAUGE") ) {
+	if ( ieee32 || ieee32big ) {
+	  BinaryIO::readLatticeObject<iLorentzColourMatrix<vsimd>, LorentzColour2x3F> 
+	    (Umu,file,Gauge3x2munger<LorentzColour2x3F,LorentzColourMatrix>(), offset,format,
+	     nersc_csum,scidac_csuma,scidac_csumb);
+	}
+	if ( ieee64 || ieee64big ) {
+	  BinaryIO::readLatticeObject<iLorentzColourMatrix<vsimd>, LorentzColour2x3D> 
+	    (Umu,file,Gauge3x2munger<LorentzColour2x3D,LorentzColourMatrix>(),offset,format,
+	     nersc_csum,scidac_csuma,scidac_csumb);
+	}
+      } else if ( header.data_type == std::string("4D_SU3_GAUGE_3x3") ) {
+	if ( ieee32 || ieee32big ) {
+	  BinaryIO::readLatticeObject<iLorentzColourMatrix<vsimd>,LorentzColourMatrixF>
+	    (Umu,file,GaugeSimpleMunger<LorentzColourMatrixF,LorentzColourMatrix>(),offset,format,
+	     nersc_csum,scidac_csuma,scidac_csumb);
+	}
+	if ( ieee64 || ieee64big ) {
+	  BinaryIO::readLatticeObject<iLorentzColourMatrix<vsimd>,LorentzColourMatrixD>
+	    (Umu,file,GaugeSimpleMunger<LorentzColourMatrixD,LorentzColourMatrix>(),offset,format,
+	     nersc_csum,scidac_csuma,scidac_csumb);
+	}
+      } else {
+	assert(0);
+      }
+
+      GaugeStatistics(Umu,clone);
+
+      std::cout<<GridLogMessage <<"NERSC Configuration "<<file<<" checksum "<<std::hex<<nersc_csum<< std::dec
+	       <<" header   "<<std::hex<<header.checksum<<std::dec <<std::endl;
+      std::cout<<GridLogMessage <<"NERSC Configuration "<<file<<" plaquette "<<clone.plaquette
+	       <<" header    "<<header.plaquette<<std::endl;
+      std::cout<<GridLogMessage <<"NERSC Configuration "<<file<<" link_trace "<<clone.link_trace
+	       <<" header    "<<header.link_trace<<std::endl;
+
+      if ( fabs(clone.plaquette -header.plaquette ) >=  1.0e-5 ) { 
+	std::cout << " Plaquette mismatch "<<std::endl;
+	std::cout << Umu[0]<<std::endl;
+	std::cout << Umu[1]<<std::endl;
+      }
+      if ( nersc_csum != header.checksum ) { 
+	std::cerr << " checksum mismatch " << std::endl;
+	std::cerr << " plaqs " << clone.plaquette << " " << header.plaquette << std::endl;
+	std::cerr << " trace " << clone.link_trace<< " " << header.link_trace<< std::endl;
+	std::cerr << " nersc_csum  " <<std::hex<< nersc_csum << " " << header.checksum<< std::dec<< std::endl;
+	exit(0);
+      }
+      assert(fabs(clone.plaquette -header.plaquette ) < 1.0e-5 );
+      assert(fabs(clone.link_trace-header.link_trace) < 1.0e-6 );
+      assert(nersc_csum == header.checksum );
+      
+      std::cout<<GridLogMessage <<"NERSC Configuration "<<file<< " and plaquette, link trace, and checksum agree"<<std::endl;
+    }
+
+      template<class vsimd>
+      static inline void writeConfiguration(Lattice<iLorentzColourMatrix<vsimd> > &Umu,
+					    std::string file, 
+					    int two_row,
+					    int bits32)
+      {
+	typedef Lattice<iLorentzColourMatrix<vsimd> > GaugeField;
+
+	typedef iLorentzColourMatrix<vsimd> vobj;
+	typedef typename vobj::scalar_object sobj;
+
+	FieldMetaData header;
+	///////////////////////////////////////////
+	// Following should become arguments
+	///////////////////////////////////////////
+	header.sequence_number = 1;
+	header.ensemble_id     = "UKQCD";
+	header.ensemble_label  = "DWF";
+
+	typedef LorentzColourMatrixD fobj3D;
+	typedef LorentzColour2x3D    fobj2D;
+  
+	GridBase *grid = Umu._grid;
+
+	GridMetaData(grid,header);
+	assert(header.nd==4);
+	GaugeStatistics(Umu,header);
+	MachineCharacteristics(header);
+
+	uint64_t offset;
+
+	// Sod it -- always write 3x3 double
+	header.floating_point = std::string("IEEE64BIG");
+	header.data_type      = std::string("4D_SU3_GAUGE_3x3");
+	GaugeSimpleUnmunger<fobj3D,sobj> munge;
+	if ( grid->IsBoss() ) { 
+	  truncate(file);
+	  offset = writeHeader(header,file);
+	}
+	grid->Broadcast(0,(void *)&offset,sizeof(offset));
+
+	uint32_t nersc_csum,scidac_csuma,scidac_csumb;
+	BinaryIO::writeLatticeObject<vobj,fobj3D>(Umu,file,munge,offset,header.floating_point,
+								  nersc_csum,scidac_csuma,scidac_csumb);
+	header.checksum = nersc_csum;
+	if ( grid->IsBoss() ) { 
+	  writeHeader(header,file);
+	}
+
+	std::cout<<GridLogMessage <<"Written NERSC Configuration on "<< file << " checksum "
+		 <<std::hex<<header.checksum
+		 <<std::dec<<" plaq "<< header.plaquette <<std::endl;
+
+      }
+      ///////////////////////////////
+      // RNG state
+      ///////////////////////////////
+      static inline void writeRNGState(GridSerialRNG &serial,GridParallelRNG &parallel,std::string file)
+      {
+	typedef typename GridParallelRNG::RngStateType RngStateType;
+
+	// Following should become arguments
+	FieldMetaData header;
+	header.sequence_number = 1;
+	header.ensemble_id     = "UKQCD";
+	header.ensemble_label  = "DWF";
+
+	GridBase *grid = parallel._grid;
+
+	GridMetaData(grid,header);
+	assert(header.nd==4);
+	header.link_trace=0.0;
+	header.plaquette=0.0;
+	MachineCharacteristics(header);
+
+	uint64_t offset;
+  
+#ifdef RNG_RANLUX
+	header.floating_point = std::string("UINT64");
+	header.data_type      = std::string("RANLUX48");
+#endif
+#ifdef RNG_MT19937
+	header.floating_point = std::string("UINT32");
+	header.data_type      = std::string("MT19937");
+#endif
+#ifdef RNG_SITMO
+	header.floating_point = std::string("UINT64");
+	header.data_type      = std::string("SITMO");
+#endif
+
+	if ( grid->IsBoss() ) { 
+	  truncate(file);
+	  offset = writeHeader(header,file);
+	}
+	grid->Broadcast(0,(void *)&offset,sizeof(offset));
+	
+	uint32_t nersc_csum,scidac_csuma,scidac_csumb;
+	BinaryIO::writeRNG(serial,parallel,file,offset,nersc_csum,scidac_csuma,scidac_csumb);
+	header.checksum = nersc_csum;
+	if ( grid->IsBoss() ) { 
+	  offset = writeHeader(header,file);
+	}
+
+	std::cout<<GridLogMessage 
+		 <<"Written NERSC RNG STATE "<<file<< " checksum "
+		 <<std::hex<<header.checksum
+		 <<std::dec<<std::endl;
+
+      }
+    
+      static inline void readRNGState(GridSerialRNG &serial,GridParallelRNG & parallel,FieldMetaData& header,std::string file)
+      {
+	typedef typename GridParallelRNG::RngStateType RngStateType;
+
+	GridBase *grid = parallel._grid;
+
+	uint64_t offset = readHeader(file,grid,header);
+
+	FieldMetaData clone(header);
+
+	std::string format(header.floating_point);
+	std::string data_type(header.data_type);
+
+#ifdef RNG_RANLUX
+	assert(format == std::string("UINT64"));
+	assert(data_type == std::string("RANLUX48"));
+#endif
+#ifdef RNG_MT19937
+	assert(format == std::string("UINT32"));
+	assert(data_type == std::string("MT19937"));
+#endif
+#ifdef RNG_SITMO
+	assert(format == std::string("UINT64"));
+	assert(data_type == std::string("SITMO"));
+#endif
+
+	// depending on datatype, set up munger;
+	// munger is a function of <floating point, Real, data_type>
+	uint32_t nersc_csum,scidac_csuma,scidac_csumb;
+	BinaryIO::readRNG(serial,parallel,file,offset,nersc_csum,scidac_csuma,scidac_csumb);
+
+	if ( nersc_csum != header.checksum ) { 
+	  std::cerr << "checksum mismatch "<<std::hex<< nersc_csum <<" "<<header.checksum<<std::dec<<std::endl;
+	  exit(0);
+	}
+	assert(nersc_csum == header.checksum );
+
+	std::cout<<GridLogMessage <<"Read NERSC RNG file "<<file<< " format "<< data_type <<std::endl;
+      }
+
+    };
+
+  }}
+#endif

Grid/perfmon/PerfCount.cc

@@ -26,8 +26,8 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     *************************************************************************************/
     /*  END LEGAL */
 
-#include <Grid.h>
-#include <PerfCount.h>
+#include <Grid/GridCore.h>
+#include <Grid/perfmon/PerfCount.h>
 
 namespace Grid {
 
@@ -40,7 +40,7 @@ const PerformanceCounter::PerformanceCounterConfig PerformanceCounter::Performan
   { PERF_TYPE_HARDWARE, PERF_COUNT_HW_CPU_CYCLES          ,  "CPUCYCLES.........." , INSTRUCTIONS},
   { PERF_TYPE_HARDWARE, PERF_COUNT_HW_INSTRUCTIONS        ,  "INSTRUCTIONS......." , CPUCYCLES   },
     // 4
-#ifdef AVX512
+#ifdef KNL
     { PERF_TYPE_RAW, RawConfig(0x40,0x04), "ALL_LOADS..........", CPUCYCLES    },
     { PERF_TYPE_RAW, RawConfig(0x01,0x04), "L1_MISS_LOADS......", L1D_READ_ACCESS  },
     { PERF_TYPE_RAW, RawConfig(0x40,0x04), "ALL_LOADS..........", L1D_READ_ACCESS    },

Grid/perfmon/PerfCount.h

@@ -172,7 +172,7 @@ public:
     const char * name = PerformanceCounterConfigs[PCT].name;
     fd = perf_event_open(&pe, 0, -1, -1, 0); // pid 0, cpu -1 current process any cpu. group -1
     if (fd == -1) {
-      fprintf(stderr, "Error opening leader %llx for event %s\n", pe.config,name);
+      fprintf(stderr, "Error opening leader %llx for event %s\n",(long long) pe.config,name);
       perror("Error is");
     }
     int norm = PerformanceCounterConfigs[PCT].normalisation;
@@ -181,7 +181,7 @@ public:
     name = PerformanceCounterConfigs[norm].name;
     cyclefd = perf_event_open(&pe, 0, -1, -1, 0); // pid 0, cpu -1 current process any cpu. group -1
     if (cyclefd == -1) {
-      fprintf(stderr, "Error opening leader %llx for event %s\n", pe.config,name);
+      fprintf(stderr, "Error opening leader %llx for event %s\n",(long long) pe.config,name);
       perror("Error is");
     }
 #endif
@@ -206,11 +206,13 @@ public:
     count=0;
     cycles=0;
 #ifdef __linux__
+    ssize_t ign;
     if ( fd!= -1) {
       ::ioctl(fd, PERF_EVENT_IOC_DISABLE, 0);
       ::ioctl(cyclefd, PERF_EVENT_IOC_DISABLE, 0);
-      ::read(fd, &count, sizeof(long long));
-      ::read(cyclefd, &cycles, sizeof(long long));
+      ign=::read(fd, &count, sizeof(long long));
+      ign+=::read(cyclefd, &cycles, sizeof(long long));
+      assert(ign=2*sizeof(long long));
     }
     elapsed = cyclecount() - begin;
 #else

Grid/perfmon/Stat.cc

@@ -1,11 +1,9 @@
-#include <Grid.h>
-#include <PerfCount.h>
-#include <Stat.h>
-
+#include <Grid/GridCore.h>
+#include <Grid/perfmon/PerfCount.h>
+#include <Grid/perfmon/Stat.h>
 
 namespace Grid { 
 
-
 bool PmuStat::pmu_initialized=false;
 
 

Grid/perfmon/Timer.h

@@ -49,7 +49,8 @@ inline double usecond(void) {
 
 typedef  std::chrono::system_clock          GridClock;
 typedef  std::chrono::time_point<GridClock> GridTimePoint;
-typedef  std::chrono::milliseconds          GridTime;
+typedef  std::chrono::milliseconds          GridMillisecs;
+typedef  std::chrono::microseconds          GridTime;
 typedef  std::chrono::microseconds          GridUsecs;
 
 inline std::ostream& operator<< (std::ostream & stream, const std::chrono::milliseconds & time)
@@ -57,6 +58,11 @@ inline std::ostream& operator<< (std::ostream & stream, const std::chrono::milli
   stream << time.count()<<" ms";
   return stream;
 }
+inline std::ostream& operator<< (std::ostream & stream, const std::chrono::microseconds & time)
+{
+  stream << time.count()<<" usec";
+  return stream;
+}
  
 class GridStopWatch {
 private:
@@ -96,6 +102,9 @@ public:
     assert(running == false);
     return (uint64_t) accumulator.count();
   }
+  bool isRunning(void){
+    return running;
+  }
 };
 
 }

Grid/pugixml/pugiconfig.hpp

@@ -1,7 +1,7 @@
 /**
- * pugixml parser - version 1.6
+ * pugixml parser - version 1.9
  * --------------------------------------------------------
- * Copyright (C) 2006-2015, by Arseny Kapoulkine (arseny.kapoulkine@gmail.com)
+ * Copyright (C) 2006-2018, by Arseny Kapoulkine (arseny.kapoulkine@gmail.com)
  * Report bugs and download new versions at http://pugixml.org/
  *
  * This library is distributed under the MIT License. See notice at the end
@@ -17,6 +17,9 @@
 // Uncomment this to enable wchar_t mode
 // #define PUGIXML_WCHAR_MODE
 
+// Uncomment this to enable compact mode
+// #define PUGIXML_COMPACT
+
 // Uncomment this to disable XPath
 // #define PUGIXML_NO_XPATH
 
@@ -46,7 +49,7 @@
 #endif
 
 /**
- * Copyright (c) 2006-2015 Arseny Kapoulkine
+ * Copyright (c) 2006-2018 Arseny Kapoulkine
  *
  * Permission is hereby granted, free of charge, to any person
  * obtaining a copy of this software and associated documentation
@@ -59,7 +62,7 @@
  *
  * The above copyright notice and this permission notice shall be
  * included in all copies or substantial portions of the Software.
- * 
+ *
  * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
  * EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES
  * OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND

Grid/pugixml/pugixml.h

@@ -1,7 +1,7 @@
 /**
- * pugixml parser - version 1.6
+ * pugixml parser - version 1.9
  * --------------------------------------------------------
- * Copyright (C) 2006-2015, by Arseny Kapoulkine (arseny.kapoulkine@gmail.com)
+ * Copyright (C) 2006-2018, by Arseny Kapoulkine (arseny.kapoulkine@gmail.com)
  * Report bugs and download new versions at http://pugixml.org/
  *
  * This library is distributed under the MIT License. See notice at the end
@@ -13,7 +13,7 @@
 
 #ifndef PUGIXML_VERSION
 // Define version macro; evaluates to major * 100 + minor so that it's safe to use in less-than comparisons
-#	define PUGIXML_VERSION 160
+#	define PUGIXML_VERSION 190
 #endif
 
 // Include user configuration file (this can define various configuration macros)
@@ -72,6 +72,44 @@
 #	endif
 #endif
 
+// If the platform is known to have move semantics support, compile move ctor/operator implementation
+#ifndef PUGIXML_HAS_MOVE
+#	if __cplusplus >= 201103
+#		define PUGIXML_HAS_MOVE
+#	elif defined(_MSC_VER) && _MSC_VER >= 1600
+#		define PUGIXML_HAS_MOVE
+#	endif
+#endif
+
+// If C++ is 2011 or higher, add 'noexcept' specifiers
+#ifndef PUGIXML_NOEXCEPT
+#	if __cplusplus >= 201103
+#		define PUGIXML_NOEXCEPT noexcept
+#	elif defined(_MSC_VER) && _MSC_VER >= 1900
+#		define PUGIXML_NOEXCEPT noexcept
+#	else
+#		define PUGIXML_NOEXCEPT
+#	endif
+#endif
+
+// Some functions can not be noexcept in compact mode
+#ifdef PUGIXML_COMPACT
+#	define PUGIXML_NOEXCEPT_IF_NOT_COMPACT
+#else
+#	define PUGIXML_NOEXCEPT_IF_NOT_COMPACT PUGIXML_NOEXCEPT
+#endif
+
+// If C++ is 2011 or higher, add 'override' qualifiers
+#ifndef PUGIXML_OVERRIDE
+#	if __cplusplus >= 201103
+#		define PUGIXML_OVERRIDE override
+#	elif defined(_MSC_VER) && _MSC_VER >= 1700
+#		define PUGIXML_OVERRIDE override
+#	else
+#		define PUGIXML_OVERRIDE
+#	endif
+#endif
+
 // Character interface macros
 #ifdef PUGIXML_WCHAR_MODE
 #	define PUGIXML_TEXT(t) L ## t
@@ -133,13 +171,13 @@ namespace pugi
 
 	// This flag determines if EOL characters are normalized (converted to #xA) during parsing. This flag is on by default.
 	const unsigned int parse_eol = 0x0020;
-	
+
 	// This flag determines if attribute values are normalized using CDATA normalization rules during parsing. This flag is on by default.
 	const unsigned int parse_wconv_attribute = 0x0040;
 
 	// This flag determines if attribute values are normalized using NMTOKENS normalization rules during parsing. This flag is off by default.
 	const unsigned int parse_wnorm_attribute = 0x0080;
-	
+
 	// This flag determines if document declaration (node_declaration) is added to the DOM tree. This flag is off by default.
 	const unsigned int parse_declaration = 0x0100;
 
@@ -158,6 +196,11 @@ namespace pugi
 	// is a valid document. This flag is off by default.
 	const unsigned int parse_fragment = 0x1000;
 
+	// This flag determines if plain character data is be stored in the parent element's value. This significantly changes the structure of
+	// the document; this flag is only recommended for parsing documents with many PCDATA nodes in memory-constrained environments.
+	// This flag is off by default.
+	const unsigned int parse_embed_pcdata = 0x2000;
+
 	// The default parsing mode.
 	// Elements, PCDATA and CDATA sections are added to the DOM tree, character/reference entities are expanded,
 	// End-of-Line characters are normalized, attribute values are normalized using CDATA normalization rules.
@@ -184,16 +227,16 @@ namespace pugi
 	};
 
 	// Formatting flags
-	
+
 	// Indent the nodes that are written to output stream with as many indentation strings as deep the node is in DOM tree. This flag is on by default.
 	const unsigned int format_indent = 0x01;
-	
+
 	// Write encoding-specific BOM to the output stream. This flag is off by default.
 	const unsigned int format_write_bom = 0x02;
 
 	// Use raw output mode (no indentation and no line breaks are written). This flag is off by default.
 	const unsigned int format_raw = 0x04;
-	
+
 	// Omit default XML declaration even if there is no declaration in the document. This flag is off by default.
 	const unsigned int format_no_declaration = 0x08;
 
@@ -206,6 +249,9 @@ namespace pugi
 	// Write every attribute on a new line with appropriate indentation. This flag is off by default.
 	const unsigned int format_indent_attributes = 0x40;
 
+	// Don't output empty element tags, instead writing an explicit start and end tag even if there are no children. This flag is off by default.
+	const unsigned int format_no_empty_element_tags = 0x80;
+
 	// The default set of formatting flags.
 	// Nodes are indented depending on their depth in DOM tree, a default declaration is output if document has none.
 	const unsigned int format_default = format_indent;
@@ -225,7 +271,7 @@ namespace pugi
 	class xml_node;
 
 	class xml_text;
-	
+
 	#ifndef PUGIXML_NO_XPATH
 	class xpath_node;
 	class xpath_node_set;
@@ -268,7 +314,7 @@ namespace pugi
 		// Construct writer from a FILE* object; void* is used to avoid header dependencies on stdio
 		xml_writer_file(void* file);
 
-		virtual void write(const void* data, size_t size);
+		virtual void write(const void* data, size_t size) PUGIXML_OVERRIDE;
 
 	private:
 		void* file;
@@ -283,7 +329,7 @@ namespace pugi
 		xml_writer_stream(std::basic_ostream<char, std::char_traits<char> >& stream);
 		xml_writer_stream(std::basic_ostream<wchar_t, std::char_traits<wchar_t> >& stream);
 
-		virtual void write(const void* data, size_t size);
+		virtual void write(const void* data, size_t size) PUGIXML_OVERRIDE;
 
 	private:
 		std::basic_ostream<char, std::char_traits<char> >* narrow_stream;
@@ -299,13 +345,13 @@ namespace pugi
 
 	private:
 		xml_attribute_struct* _attr;
-	
+
 		typedef void (*unspecified_bool_type)(xml_attribute***);
 
 	public:
 		// Default constructor. Constructs an empty attribute.
 		xml_attribute();
-		
+
 		// Constructs attribute from internal pointer
 		explicit xml_attribute(xml_attribute_struct* attr);
 
@@ -354,6 +400,8 @@ namespace pugi
 		// Set attribute value with type conversion (numbers are converted to strings, boolean is converted to "true"/"false")
 		bool set_value(int rhs);
 		bool set_value(unsigned int rhs);
+		bool set_value(long rhs);
+		bool set_value(unsigned long rhs);
 		bool set_value(double rhs);
 		bool set_value(float rhs);
 		bool set_value(bool rhs);
@@ -367,6 +415,8 @@ namespace pugi
 		xml_attribute& operator=(const char_t* rhs);
 		xml_attribute& operator=(int rhs);
 		xml_attribute& operator=(unsigned int rhs);
+		xml_attribute& operator=(long rhs);
+		xml_attribute& operator=(unsigned long rhs);
 		xml_attribute& operator=(double rhs);
 		xml_attribute& operator=(float rhs);
 		xml_attribute& operator=(bool rhs);
@@ -417,7 +467,7 @@ namespace pugi
 
 		// Borland C++ workaround
 		bool operator!() const;
-	
+
 		// Comparison operators (compares wrapped node pointers)
 		bool operator==(const xml_node& r) const;
 		bool operator!=(const xml_node& r) const;
@@ -438,7 +488,7 @@ namespace pugi
 		// Get node value, or "" if node is empty or it has no value
 		// Note: For <node>text</node> node.value() does not return "text"! Use child_value() or text() methods to access text inside nodes.
 		const char_t* value() const;
-	
+
 		// Get attribute list
 		xml_attribute first_attribute() const;
 		xml_attribute last_attribute() const;
@@ -450,7 +500,7 @@ namespace pugi
 		// Get next/previous sibling in the children list of the parent node
 		xml_node next_sibling() const;
 		xml_node previous_sibling() const;
-		
+
 		// Get parent node
 		xml_node parent() const;
 
@@ -478,7 +528,7 @@ namespace pugi
 		// Set node name/value (returns false if node is empty, there is not enough memory, or node can not have name/value)
 		bool set_name(const char_t* rhs);
 		bool set_value(const char_t* rhs);
-		
+
 		// Add attribute with specified name. Returns added attribute, or empty attribute on errors.
 		xml_attribute append_attribute(const char_t* name);
 		xml_attribute prepend_attribute(const char_t* name);
@@ -532,11 +582,11 @@ namespace pugi
 		template <typename Predicate> xml_attribute find_attribute(Predicate pred) const
 		{
 			if (!_root) return xml_attribute();
-			
+
 			for (xml_attribute attrib = first_attribute(); attrib; attrib = attrib.next_attribute())
 				if (pred(attrib))
 					return attrib;
-		
+
 			return xml_attribute();
 		}
 
@@ -544,11 +594,11 @@ namespace pugi
 		template <typename Predicate> xml_node find_child(Predicate pred) const
 		{
 			if (!_root) return xml_node();
-	
+
 			for (xml_node node = first_child(); node; node = node.next_sibling())
 				if (pred(node))
 					return node;
-		
+
 			return xml_node();
 		}
 
@@ -558,7 +608,7 @@ namespace pugi
 			if (!_root) return xml_node();
 
 			xml_node cur = first_child();
-			
+
 			while (cur._root && cur._root != _root)
 			{
 				if (pred(cur)) return cur;
@@ -590,7 +640,7 @@ namespace pugi
 
 		// Recursively traverse subtree with xml_tree_walker
 		bool traverse(xml_tree_walker& walker);
-	
+
 	#ifndef PUGIXML_NO_XPATH
 		// Select single node by evaluating XPath query. Returns first node from the resulting node set.
 		xpath_node select_node(const char_t* query, xpath_variable_set* variables = 0) const;
@@ -601,11 +651,11 @@ namespace pugi
 		xpath_node_set select_nodes(const xpath_query& query) const;
 
 		// (deprecated: use select_node instead) Select single node by evaluating XPath query.
-		xpath_node select_single_node(const char_t* query, xpath_variable_set* variables = 0) const;
-		xpath_node select_single_node(const xpath_query& query) const;
+		PUGIXML_DEPRECATED xpath_node select_single_node(const char_t* query, xpath_variable_set* variables = 0) const;
+		PUGIXML_DEPRECATED xpath_node select_single_node(const xpath_query& query) const;
 
 	#endif
-		
+
 		// Print subtree using a writer object
 		void print(xml_writer& writer, const char_t* indent = PUGIXML_TEXT("\t"), unsigned int flags = format_default, xml_encoding encoding = encoding_auto, unsigned int depth = 0) const;
 
@@ -701,6 +751,8 @@ namespace pugi
 		// Set text with type conversion (numbers are converted to strings, boolean is converted to "true"/"false")
 		bool set(int rhs);
 		bool set(unsigned int rhs);
+		bool set(long rhs);
+		bool set(unsigned long rhs);
 		bool set(double rhs);
 		bool set(float rhs);
 		bool set(bool rhs);
@@ -714,6 +766,8 @@ namespace pugi
 		xml_text& operator=(const char_t* rhs);
 		xml_text& operator=(int rhs);
 		xml_text& operator=(unsigned int rhs);
+		xml_text& operator=(long rhs);
+		xml_text& operator=(unsigned long rhs);
 		xml_text& operator=(double rhs);
 		xml_text& operator=(float rhs);
 		xml_text& operator=(bool rhs);
@@ -867,11 +921,11 @@ namespace pugi
 
 	private:
 		int _depth;
-	
+
 	protected:
 		// Get current traversal depth
 		int depth() const;
-	
+
 	public:
 		xml_tree_walker();
 		virtual ~xml_tree_walker();
@@ -942,13 +996,14 @@ namespace pugi
 		char_t* _buffer;
 
 		char _memory[192];
-		
+
 		// Non-copyable semantics
 		xml_document(const xml_document&);
-		const xml_document& operator=(const xml_document&);
+		xml_document& operator=(const xml_document&);
 
-		void create();
-		void destroy();
+		void _create();
+		void _destroy();
+		void _move(xml_document& rhs) PUGIXML_NOEXCEPT_IF_NOT_COMPACT;
 
 	public:
 		// Default constructor, makes empty document
@@ -957,6 +1012,12 @@ namespace pugi
 		// Destructor, invalidates all node/attribute handles to this document
 		~xml_document();
 
+	#ifdef PUGIXML_HAS_MOVE
+		// Move semantics support
+		xml_document(xml_document&& rhs) PUGIXML_NOEXCEPT_IF_NOT_COMPACT;
+		xml_document& operator=(xml_document&& rhs) PUGIXML_NOEXCEPT_IF_NOT_COMPACT;
+	#endif
+
 		// Removes all nodes, leaving the empty document
 		void reset();
 
@@ -970,7 +1031,7 @@ namespace pugi
 	#endif
 
 		// (deprecated: use load_string instead) Load document from zero-terminated string. No encoding conversions are applied.
-		xml_parse_result load(const char_t* contents, unsigned int options = parse_default);
+		PUGIXML_DEPRECATED xml_parse_result load(const char_t* contents, unsigned int options = parse_default);
 
 		// Load document from zero-terminated string. No encoding conversions are applied.
 		xml_parse_result load_string(const char_t* contents, unsigned int options = parse_default);
@@ -1051,7 +1112,7 @@ namespace pugi
 		// Non-copyable semantics
 		xpath_variable(const xpath_variable&);
 		xpath_variable& operator=(const xpath_variable&);
-		
+
 	public:
 		// Get variable name
 		const char_t* name() const;
@@ -1095,10 +1156,10 @@ namespace pugi
 		xpath_variable_set(const xpath_variable_set& rhs);
 		xpath_variable_set& operator=(const xpath_variable_set& rhs);
 
-	#if __cplusplus >= 201103
+	#ifdef PUGIXML_HAS_MOVE
 		// Move semantics support
-		xpath_variable_set(xpath_variable_set&& rhs);
-		xpath_variable_set& operator=(xpath_variable_set&& rhs);
+		xpath_variable_set(xpath_variable_set&& rhs) PUGIXML_NOEXCEPT;
+		xpath_variable_set& operator=(xpath_variable_set&& rhs) PUGIXML_NOEXCEPT;
 	#endif
 
 		// Add a new variable or get the existing one, if the types match
@@ -1139,29 +1200,29 @@ namespace pugi
 		// Destructor
 		~xpath_query();
 
-	#if __cplusplus >= 201103
+	#ifdef PUGIXML_HAS_MOVE
 		// Move semantics support
-		xpath_query(xpath_query&& rhs);
-		xpath_query& operator=(xpath_query&& rhs);
+		xpath_query(xpath_query&& rhs) PUGIXML_NOEXCEPT;
+		xpath_query& operator=(xpath_query&& rhs) PUGIXML_NOEXCEPT;
 	#endif
 
 		// Get query expression return type
 		xpath_value_type return_type() const;
-		
+
 		// Evaluate expression as boolean value in the specified context; performs type conversion if necessary.
 		// If PUGIXML_NO_EXCEPTIONS is not defined, throws std::bad_alloc on out of memory errors.
 		bool evaluate_boolean(const xpath_node& n) const;
-		
+
 		// Evaluate expression as double value in the specified context; performs type conversion if necessary.
 		// If PUGIXML_NO_EXCEPTIONS is not defined, throws std::bad_alloc on out of memory errors.
 		double evaluate_number(const xpath_node& n) const;
-		
+
 	#ifndef PUGIXML_NO_STL
 		// Evaluate expression as string value in the specified context; performs type conversion if necessary.
 		// If PUGIXML_NO_EXCEPTIONS is not defined, throws std::bad_alloc on out of memory errors.
 		string_t evaluate_string(const xpath_node& n) const;
 	#endif
-		
+
 		// Evaluate expression as string value in the specified context; performs type conversion if necessary.
 		// At most capacity characters are written to the destination buffer, full result size is returned (includes terminating zero).
 		// If PUGIXML_NO_EXCEPTIONS is not defined, throws std::bad_alloc on out of memory errors.
@@ -1188,7 +1249,7 @@ namespace pugi
 		// Borland C++ workaround
 		bool operator!() const;
 	};
-	
+
 	#ifndef PUGIXML_NO_EXCEPTIONS
 	// XPath exception class
 	class PUGIXML_CLASS xpath_exception: public std::exception
@@ -1201,26 +1262,26 @@ namespace pugi
 		explicit xpath_exception(const xpath_parse_result& result);
 
 		// Get error message
-		virtual const char* what() const throw();
+		virtual const char* what() const throw() PUGIXML_OVERRIDE;
 
 		// Get parse result
 		const xpath_parse_result& result() const;
 	};
 	#endif
-	
+
 	// XPath node class (either xml_node or xml_attribute)
 	class PUGIXML_CLASS xpath_node
 	{
 	private:
 		xml_node _node;
 		xml_attribute _attribute;
-	
+
 		typedef void (*unspecified_bool_type)(xpath_node***);
 
 	public:
 		// Default constructor; constructs empty XPath node
 		xpath_node();
-		
+
 		// Construct XPath node from XML node/attribute
 		xpath_node(const xml_node& node);
 		xpath_node(const xml_attribute& attribute, const xml_node& parent);
@@ -1228,13 +1289,13 @@ namespace pugi
 		// Get node/attribute, if any
 		xml_node node() const;
 		xml_attribute attribute() const;
-		
+
 		// Get parent of contained node/attribute
 		xml_node parent() const;
 
 		// Safe bool conversion operator
 		operator unspecified_bool_type() const;
-		
+
 		// Borland C++ workaround
 		bool operator!() const;
 
@@ -1260,13 +1321,13 @@ namespace pugi
 			type_sorted,			// Sorted by document order (ascending)
 			type_sorted_reverse		// Sorted by document order (descending)
 		};
-		
+
 		// Constant iterator type
 		typedef const xpath_node* const_iterator;
 
 		// We define non-constant iterator to be the same as constant iterator so that various generic algorithms (i.e. boost foreach) work
 		typedef const xpath_node* iterator;
-	
+
 		// Default constructor. Constructs empty set.
 		xpath_node_set();
 
@@ -1275,49 +1336,49 @@ namespace pugi
 
 		// Destructor
 		~xpath_node_set();
-		
+
 		// Copy constructor/assignment operator
 		xpath_node_set(const xpath_node_set& ns);
 		xpath_node_set& operator=(const xpath_node_set& ns);
 
-	#if __cplusplus >= 201103
+	#ifdef PUGIXML_HAS_MOVE
 		// Move semantics support
-		xpath_node_set(xpath_node_set&& rhs);
-		xpath_node_set& operator=(xpath_node_set&& rhs);
+		xpath_node_set(xpath_node_set&& rhs) PUGIXML_NOEXCEPT;
+		xpath_node_set& operator=(xpath_node_set&& rhs) PUGIXML_NOEXCEPT;
 	#endif
 
 		// Get collection type
 		type_t type() const;
-		
+
 		// Get collection size
 		size_t size() const;
 
 		// Indexing operator
 		const xpath_node& operator[](size_t index) const;
-		
+
 		// Collection iterators
 		const_iterator begin() const;
 		const_iterator end() const;
 
 		// Sort the collection in ascending/descending order by document order
 		void sort(bool reverse = false);
-		
+
 		// Get first node in the collection by document order
 		xpath_node first() const;
-		
+
 		// Check if collection is empty
 		bool empty() const;
-	
+
 	private:
 		type_t _type;
-		
+
 		xpath_node _storage;
-		
+
 		xpath_node* _begin;
 		xpath_node* _end;
 
 		void _assign(const_iterator begin, const_iterator end, type_t type);
-		void _move(xpath_node_set& rhs);
+		void _move(xpath_node_set& rhs) PUGIXML_NOEXCEPT;
 	};
 #endif
 
@@ -1325,7 +1386,7 @@ namespace pugi
 	// Convert wide string to UTF8
 	std::basic_string<char, std::char_traits<char>, std::allocator<char> > PUGIXML_FUNCTION as_utf8(const wchar_t* str);
 	std::basic_string<char, std::char_traits<char>, std::allocator<char> > PUGIXML_FUNCTION as_utf8(const std::basic_string<wchar_t, std::char_traits<wchar_t>, std::allocator<wchar_t> >& str);
-	
+
 	// Convert UTF8 to wide string
 	std::basic_string<wchar_t, std::char_traits<wchar_t>, std::allocator<wchar_t> > PUGIXML_FUNCTION as_wide(const char* str);
 	std::basic_string<wchar_t, std::char_traits<wchar_t>, std::allocator<wchar_t> > PUGIXML_FUNCTION as_wide(const std::basic_string<char, std::char_traits<char>, std::allocator<char> >& str);
@@ -1333,13 +1394,13 @@ namespace pugi
 
 	// Memory allocation function interface; returns pointer to allocated memory or NULL on failure
 	typedef void* (*allocation_function)(size_t size);
-	
+
 	// Memory deallocation function interface
 	typedef void (*deallocation_function)(void* ptr);
 
 	// Override default memory management functions. All subsequent allocations/deallocations will be performed via supplied functions.
 	void PUGIXML_FUNCTION set_memory_management_functions(allocation_function allocate, deallocation_function deallocate);
-	
+
 	// Get current memory management functions
 	allocation_function PUGIXML_FUNCTION get_memory_allocation_function();
 	deallocation_function PUGIXML_FUNCTION get_memory_deallocation_function();
@@ -1375,7 +1436,7 @@ namespace std
 #endif
 
 /**
- * Copyright (c) 2006-2015 Arseny Kapoulkine
+ * Copyright (c) 2006-2018 Arseny Kapoulkine
  *
  * Permission is hereby granted, free of charge, to any person
  * obtaining a copy of this software and associated documentation
@@ -1388,7 +1449,7 @@ namespace std
  *
  * The above copyright notice and this permission notice shall be
  * included in all copies or substantial portions of the Software.
- * 
+ *
  * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
  * EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES
  * OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND

Grid/pugixml/readme.txt

@@ -1,6 +1,6 @@
-pugixml 1.6 - an XML processing library
+pugixml 1.9 - an XML processing library
 
-Copyright (C) 2006-2015, by Arseny Kapoulkine (arseny.kapoulkine@gmail.com)
+Copyright (C) 2006-2018, by Arseny Kapoulkine (arseny.kapoulkine@gmail.com)
 Report bugs and download new versions at http://pugixml.org/
 
 This is the distribution of pugixml, which is a C++ XML processing library,
@@ -28,7 +28,7 @@ The distribution contains the following folders:
 
 This library is distributed under the MIT License:
 
-Copyright (c) 2006-2015 Arseny Kapoulkine
+Copyright (c) 2006-2018 Arseny Kapoulkine
 
 Permission is hereby granted, free of charge, to any person
 obtaining a copy of this software and associated documentation

Grid/qcd/LatticeTheories.h

@@ -0,0 +1,124 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/QCD.h
+
+Copyright (C) 2015
+
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
+Author: neo <cossu@post.kek.jp>
+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_LT_H
+#define GRID_LT_H
+namespace Grid{
+
+// First steps in the complete generalization of the Physics part
+// Design not final
+namespace LatticeTheories {
+
+template <int Dimensions>
+struct LatticeTheory {
+  static const int Nd = Dimensions;
+  static const int Nds = Dimensions * 2;  // double stored field
+  template <typename vtype>
+  using iSinglet = iScalar<iScalar<iScalar<vtype> > >;
+};
+
+template <int Dimensions, int Colours>
+struct LatticeGaugeTheory : public LatticeTheory<Dimensions> {
+  static const int Nds = Dimensions * 2;
+  static const int Nd = Dimensions;
+  static const int Nc = Colours;
+
+  template <typename vtype> 
+  using iColourMatrix = iScalar<iScalar<iMatrix<vtype, Nc> > >;
+  template <typename vtype>
+  using iLorentzColourMatrix = iVector<iScalar<iMatrix<vtype, Nc> >, Nd>;
+  template <typename vtype>
+  using iDoubleStoredColourMatrix = iVector<iScalar<iMatrix<vtype, Nc> >, Nds>;
+  template <typename vtype>
+  using iColourVector = iScalar<iScalar<iVector<vtype, Nc> > >;
+};
+
+template <int Dimensions, int Colours, int Spin>
+struct FermionicLatticeGaugeTheory
+    : public LatticeGaugeTheory<Dimensions, Colours> {
+  static const int Nd = Dimensions;
+  static const int Nds = Dimensions * 2;
+  static const int Nc = Colours;
+  static const int Ns = Spin;
+
+  template <typename vtype>
+  using iSpinMatrix = iScalar<iMatrix<iScalar<vtype>, Ns> >;
+  template <typename vtype>
+  using iSpinColourMatrix = iScalar<iMatrix<iMatrix<vtype, Nc>, Ns> >;
+  template <typename vtype>
+  using iSpinVector = iScalar<iVector<iScalar<vtype>, Ns> >;
+  template <typename vtype>
+  using iSpinColourVector = iScalar<iVector<iVector<vtype, Nc>, Ns> >;
+  // These 2 only if Spin is a multiple of 2
+  static const int Nhs = Spin / 2;
+  template <typename vtype>
+  using iHalfSpinVector = iScalar<iVector<iScalar<vtype>, Nhs> >;
+  template <typename vtype>
+  using iHalfSpinColourVector = iScalar<iVector<iVector<vtype, Nc>, Nhs> >;
+
+  //tests
+  typedef iColourMatrix<Complex> ColourMatrix;
+  typedef iColourMatrix<ComplexF> ColourMatrixF;
+  typedef iColourMatrix<ComplexD> ColourMatrixD;
+
+
+};
+
+// Examples, not complete now.
+struct QCD : public FermionicLatticeGaugeTheory<4, 3, 4> {
+    static const int Xp = 0;
+    static const int Yp = 1;
+    static const int Zp = 2;
+    static const int Tp = 3;
+    static const int Xm = 4;
+    static const int Ym = 5;
+    static const int Zm = 6;
+    static const int Tm = 7;
+
+    typedef FermionicLatticeGaugeTheory FLGT;
+
+    typedef FLGT::iSpinMatrix<Complex  >          SpinMatrix;
+    typedef FLGT::iSpinMatrix<ComplexF >          SpinMatrixF;
+    typedef FLGT::iSpinMatrix<ComplexD >          SpinMatrixD;
+
+};
+struct QED : public FermionicLatticeGaugeTheory<4, 1, 4> {//fill
+};
+
+template <int Dimensions>
+struct Scalar : public LatticeTheory<Dimensions> {};
+
+};  // LatticeTheories
+
+} // Grid
+
+#endif

Grid/qcd/QCD.h

@@ -29,13 +29,17 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#ifndef GRID_QCD_H
-#define GRID_QCD_H
+#ifndef GRID_QCD_BASE_H
+#define GRID_QCD_BASE_H
 namespace Grid{
-
 namespace QCD {
 
+    static const int Xdir = 0;
+    static const int Ydir = 1;
+    static const int Zdir = 2;
+    static const int Tdir = 3;
 
+  
     static const int Xp = 0;
     static const int Yp = 1;
     static const int Zp = 2;
@@ -62,7 +66,6 @@ namespace QCD {
     #define SpinIndex    1
     #define LorentzIndex 0
 
-  
     // Also should make these a named enum type
     static const int DaggerNo=0;
     static const int DaggerYes=1;
@@ -355,36 +358,36 @@ namespace QCD {
     //////////////////////////////////////////////
     template<class vobj> 
       void pokeColour(Lattice<vobj> &lhs,
-		      const Lattice<decltype(peekIndex<ColourIndex>(lhs._odata[0],0))> & rhs,
-		      int i)
+              const Lattice<decltype(peekIndex<ColourIndex>(lhs._odata[0],0))> & rhs,
+              int i)
     {
       PokeIndex<ColourIndex>(lhs,rhs,i);
     }
     template<class vobj> 
       void pokeColour(Lattice<vobj> &lhs,
-		      const Lattice<decltype(peekIndex<ColourIndex>(lhs._odata[0],0,0))> & rhs,
-		      int i,int j)
+              const Lattice<decltype(peekIndex<ColourIndex>(lhs._odata[0],0,0))> & rhs,
+              int i,int j)
     {
       PokeIndex<ColourIndex>(lhs,rhs,i,j);
     }
     template<class vobj> 
       void pokeSpin(Lattice<vobj> &lhs,
-		      const Lattice<decltype(peekIndex<SpinIndex>(lhs._odata[0],0))> & rhs,
-		      int i)
+              const Lattice<decltype(peekIndex<SpinIndex>(lhs._odata[0],0))> & rhs,
+              int i)
     {
       PokeIndex<SpinIndex>(lhs,rhs,i);
     }
     template<class vobj> 
       void pokeSpin(Lattice<vobj> &lhs,
-		      const Lattice<decltype(peekIndex<SpinIndex>(lhs._odata[0],0,0))> & rhs,
-		      int i,int j)
+              const Lattice<decltype(peekIndex<SpinIndex>(lhs._odata[0],0,0))> & rhs,
+              int i,int j)
     {
       PokeIndex<SpinIndex>(lhs,rhs,i,j);
     }
     template<class vobj> 
       void pokeLorentz(Lattice<vobj> &lhs,
-		      const Lattice<decltype(peekIndex<LorentzIndex>(lhs._odata[0],0))> & rhs,
-		      int i)
+              const Lattice<decltype(peekIndex<LorentzIndex>(lhs._odata[0],0))> & rhs,
+              int i)
     {
       PokeIndex<LorentzIndex>(lhs,rhs,i);
     }
@@ -418,15 +421,16 @@ namespace QCD {
     //////////////////////////////////////////////
     // Fermion <-> propagator assignements
     //////////////////////////////////////////////
-    template <class Prop, class Ferm>
-    void FermToProp(Prop &p, const Ferm &f, const int s, const int c)
+    //template <class Prop, class Ferm>
+    template <class Fimpl>
+      void FermToProp(typename Fimpl::PropagatorField &p, const typename Fimpl::FermionField &f, const int s, const int c)
     {
-        for(int j = 0; j < Ns; ++j)
+      for(int j = 0; j < Ns; ++j)
         {
             auto pjs = peekSpin(p, j, s);
             auto fj  = peekSpin(f, j);
             
-            for(int i = 0; i < Nc; ++i)
+            for(int i = 0; i < Fimpl::Dimension; ++i)
             {
                 pokeColour(pjs, peekColour(fj, i), i, c);
             }
@@ -434,15 +438,16 @@ namespace QCD {
         }
     }
     
-    template <class Prop, class Ferm>
-    void PropToFerm(Ferm &f, const Prop &p, const int s, const int c)
+    //template <class Prop, class Ferm>
+    template <class Fimpl>
+      void PropToFerm(typename Fimpl::FermionField &f, const typename Fimpl::PropagatorField &p, const int s, const int c)
     {
         for(int j = 0; j < Ns; ++j)
         {
             auto pjs = peekSpin(p, j, s);
             auto fj  = peekSpin(f, j);
             
-            for(int i = 0; i < Nc; ++i)
+            for(int i = 0; i < Fimpl::Dimension; ++i)
             {
                 pokeColour(fj, peekColour(pjs, i, c), i);
             }
@@ -490,30 +495,17 @@ namespace QCD {
       return traceIndex<ColourIndex>(lhs);
     }
 
+    //////////////////////////////////////////
+    // Current types
+    //////////////////////////////////////////
+    GRID_SERIALIZABLE_ENUM(Current, undef,
+                           Vector,  0,
+                           Axial,   1,
+                           Tadpole, 2);
+
 }   //namespace QCD
 } // Grid
 
 
-#include <Grid/qcd/utils/SpaceTimeGrid.h>
-#include <Grid/qcd/spin/Dirac.h>
-#include <Grid/qcd/spin/TwoSpinor.h>
-#include <Grid/qcd/utils/LinalgUtils.h>
-#include <Grid/qcd/utils/CovariantCshift.h>
-
-// Include representations 	
-#include <Grid/qcd/utils/SUn.h>
-#include <Grid/qcd/utils/SUnAdjoint.h>
-#include <Grid/qcd/utils/SUnTwoIndex.h>
-#include <Grid/qcd/representations/hmc_types.h>
-
-#include <Grid/qcd/action/Actions.h>
-
-#include <Grid/qcd/smearing/Smearing.h>
-
-#include <Grid/qcd/hmc/integrators/Integrator.h>
-#include <Grid/qcd/hmc/integrators/Integrator_algorithm.h>
-#include <Grid/qcd/hmc/HMC.h>
-
-
 
 #endif

Grid/qcd/action/Action.h

@@ -2,11 +2,15 @@
 
     Grid physics library, www.github.com/paboyle/Grid 
 
-    Source file: ./lib/qcd/action/ActionParams.h
+    Source file: ./lib/qcd/action/Actions.h
 
     Copyright (C) 2015
 
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
+Author: neo <cossu@post.kek.jp>
 Author: paboyle <paboyle@ph.ed.ac.uk>
 
     This program is free software; you can redistribute it and/or modify
@@ -26,38 +30,21 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#ifndef GRID_QCD_ACTION_PARAMS_H
-#define GRID_QCD_ACTION_PARAMS_H
+#ifndef GRID_QCD_ACTION_H
+#define GRID_QCD_ACTION_H
 
-namespace Grid {
-namespace QCD {
-
-    // These can move into a params header and be given MacroMagic serialisation
-    struct GparityWilsonImplParams {
-      bool overlapCommsCompute;
-      std::vector<int> twists; 
-      GparityWilsonImplParams () : twists(Nd,0), overlapCommsCompute(false) {};
-
-    };
-
-    struct WilsonImplParams {
-      bool overlapCommsCompute;
-      WilsonImplParams() : overlapCommsCompute(false) {};
-    };
-
-    struct OneFlavourRationalParams { 
-      RealD  lo;
-      RealD  hi;
-      int MaxIter;   // Vector?
-      RealD tolerance; // Vector? 
-      int    degree=10;
-      int precision=64;
-
-      OneFlavourRationalParams (RealD _lo,RealD _hi,int _maxit,RealD tol=1.0e-8,int _degree = 10,int _precision=64) :
-        lo(_lo), hi(_hi), MaxIter(_maxit), tolerance(tol), degree(_degree), precision(_precision)
-      {};
-    };
-
-}}
+////////////////////////////////////////////
+// Abstract base interface
+////////////////////////////////////////////
+#include <Grid/qcd/action/ActionCore.h>
+////////////////////////////////////////////////////////////////////////
+// Fermion actions; prevent coupling fermion.cc files to other headers
+////////////////////////////////////////////////////////////////////////
+#include <Grid/qcd/action/fermion/FermionCore.h>
+#include <Grid/qcd/action/fermion/Fermion.h>
+////////////////////////////////////////
+// Pseudo fermion combinations for HMC
+////////////////////////////////////////
+#include <Grid/qcd/action/pseudofermion/PseudoFermion.h>
 
 #endif