mores unused statements removed

Fixes for --enable-comms=none

.gitignore

@@ -88,6 +88,7 @@ Thumbs.db
 # build directory #
 ###################
 build*/*
+Documentation/_build
 
 # IDE related files #
 #####################
@@ -114,3 +115,4 @@ gh-pages/
 #####################
 Grid/qcd/spin/gamma-gen/*.h
 Grid/qcd/spin/gamma-gen/*.cc
+Grid/util/Version.h

.travis.yml

@@ -1,61 +0,0 @@
-language: cpp
-
-cache:
-  directories:
-    - clang
-
-matrix:
-  include:
-    - os:        osx
-      osx_image: xcode8.3
-      compiler: clang
-      env: PREC=single
-    - os:        osx
-      osx_image: xcode8.3
-      compiler: clang
-      env: PREC=double
-      
-before_install:
-    - export GRIDDIR=`pwd`
-    - if [[ "$TRAVIS_OS_NAME" == "linux" ]] && [[ "$CC" == "clang" ]] && [ ! -e clang/bin ]; then wget $CLANG_LINK; tar -xf `basename $CLANG_LINK`; mkdir clang; mv clang+*/* clang/; fi
-    - if [[ "$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 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 [[ "$TRAVIS_OS_NAME" == "osx" ]]; then export EXTRACONF='--with-openssl=/usr/local/opt/openssl'; fi
-    
-script:
-    - ./bootstrap.sh
-    - mkdir build
-    - cd build
-    - mkdir lime
-    - cd lime
-    - mkdir build
-    - cd build
-    - wget http://usqcd-software.github.io/downloads/c-lime/lime-1.3.2.tar.gz
-    - tar xf lime-1.3.2.tar.gz
-    - cd lime-1.3.2
-    - ./configure --prefix=$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 --debug-signals
-    - make check

ChangeLog

@@ -0,0 +1,5 @@
+Version : 0.8.0
+
+- Clang 3.5 and above, ICPC v16 and above, GCC 6.3 and above recommended
+- MPI and MPI3 comms optimisations for KNL and OPA finished
+- Half precision comms

Grid/DisableWarnings.h

@@ -30,8 +30,44 @@ directory
 #ifndef DISABLE_WARNINGS_H
 #define DISABLE_WARNINGS_H
 
- //disables and intel compiler specific warning (in json.hpp)
-#pragma warning disable 488  
 
 
+#if defined __GNUC__ && __GNUC__>=6
+#pragma GCC diagnostic ignored "-Wignored-attributes"
+#endif
+
+ //disables and intel compiler specific warning (in json.hpp)
+#ifdef __ICC
+#pragma warning disable 488  
+#endif
+
+#ifdef __NVCC__
+ //disables nvcc specific warning in json.hpp
+#pragma clang diagnostic ignored "-Wdeprecated-register"
+
+#ifdef __NVCC_DIAG_PRAGMA_SUPPORT__
+ //disables nvcc specific warning in json.hpp
+#pragma nv_diag_suppress unsigned_compare_with_zero
+#pragma nv_diag_suppress cast_to_qualified_type
+ //disables nvcc specific warning in many files
+#pragma nv_diag_suppress esa_on_defaulted_function_ignored
+#pragma nv_diag_suppress extra_semicolon
+#else
+ //disables nvcc specific warning in json.hpp
+#pragma diag_suppress unsigned_compare_with_zero
+#pragma diag_suppress cast_to_qualified_type
+ //disables nvcc specific warning in many files
+#pragma diag_suppress esa_on_defaulted_function_ignored
+#pragma diag_suppress extra_semicolon
+#endif
+#endif
+
+// Disable vectorisation in Eigen on the Power8/9 and PowerPC
+#ifdef  __ALTIVEC__
+#define  EIGEN_DONT_VECTORIZE
+#endif
+#ifdef  __VSX__
+#define  EIGEN_DONT_VECTORIZE
+#endif
+
 #endif

Grid/Grid.h

@@ -42,6 +42,7 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #include <Grid/GridQCDcore.h>
 #include <Grid/qcd/action/Action.h>
 #include <Grid/qcd/utils/GaugeFix.h>
+#include <Grid/qcd/utils/CovariantSmearing.h>
 #include <Grid/qcd/smearing/Smearing.h>
 #include <Grid/parallelIO/MetaData.h>
 #include <Grid/qcd/hmc/HMC_aggregate.h>

Grid/GridCore.h

@@ -38,16 +38,20 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #ifndef GRID_BASE_H
 #define GRID_BASE_H
 
-#include <Grid/GridStd.h>
 
+#include <Grid/DisableWarnings.h>
+#include <Grid/Namespace.h>
+#include <Grid/GridStd.h>
+#include <Grid/threads/Pragmas.h>
 #include <Grid/perfmon/Timer.h>
-#include <Grid/perfmon/PerfCount.h>
-#include <Grid/log/Log.h>
-#include <Grid/allocator/AlignedAllocator.h>
-#include <Grid/simd/Simd.h>
-#include <Grid/serialisation/Serialisation.h>
-#include <Grid/threads/Threads.h>
+//#include <Grid/perfmon/PerfCount.h>
 #include <Grid/util/Util.h>
+#include <Grid/log/Log.h>
+#include <Grid/perfmon/Tracing.h>
+#include <Grid/allocator/Allocator.h>
+#include <Grid/simd/Simd.h>
+#include <Grid/threads/ThreadReduction.h>
+#include <Grid/serialisation/Serialisation.h>
 #include <Grid/util/Sha.h>
 #include <Grid/communicator/Communicator.h> 
 #include <Grid/cartesian/Cartesian.h>    
@@ -57,5 +61,6 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #include <Grid/stencil/Stencil.h>      
 #include <Grid/parallelIO/BinaryIO.h>
 #include <Grid/algorithms/Algorithms.h>   
+NAMESPACE_CHECK(GridCore)
 
 #endif

Grid/GridQCDcore.h

@@ -36,7 +36,9 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #include <Grid/GridCore.h>
 #include <Grid/qcd/QCD.h>
 #include <Grid/qcd/spin/Spin.h>
+#include <Grid/qcd/gparity/Gparity.h>
 #include <Grid/qcd/utils/Utils.h>
 #include <Grid/qcd/representations/Representations.h>
+NAMESPACE_CHECK(GridQCDCore);
 
 #endif

Grid/GridStd.h

@@ -6,7 +6,9 @@
 ///////////////////
 #include <cassert>
 #include <complex>
+#include <memory>
 #include <vector>
+#include <array>
 #include <string>
 #include <iostream>
 #include <iomanip>
@@ -14,6 +16,7 @@
 #include <functional>
 #include <stdio.h>
 #include <stdlib.h>
+#include <strings.h>
 #include <stdio.h>
 #include <signal.h>
 #include <ctime>
@@ -26,4 +29,7 @@
 ///////////////////
 #include "Config.h"
 
+#ifdef TOFU
+#undef GRID_COMMS_THREADS
+#endif
 #endif /* GRID_STD_H */

Grid/Grid_Eigen_Dense.h

@@ -1,14 +1,75 @@
+#include <Grid/GridCore.h>
 #pragma once
 // Force Eigen to use MKL if Grid has been configured with --enable-mkl
 #ifdef USE_MKL
 #define EIGEN_USE_MKL_ALL
 #endif
 
+
 #if defined __GNUC__
 #pragma GCC diagnostic push
 #pragma GCC diagnostic ignored "-Wdeprecated-declarations"
 #endif
+
+/* NVCC save and restore compile environment*/
+#ifdef __NVCC__
+#pragma push
+#ifdef __NVCC_DIAG_PRAGMA_SUPPORT__
+#pragma nv_diag_suppress code_is_unreachable
+#else
+#pragma diag_suppress code_is_unreachable
+#endif
+#pragma push_macro("__CUDA_ARCH__")
+#pragma push_macro("__NVCC__")
+#pragma push_macro("__CUDACC__")
+#undef __CUDA_ARCH__
+#undef __NVCC__
+#undef __CUDACC__
+#define __NVCC__REDEFINE__
+#endif 
+
+/* SYCL save and restore compile environment*/
+#ifdef GRID_SYCL
+#pragma push
+#pragma push_macro("__SYCL_DEVICE_ONLY__")
+#undef __SYCL_DEVICE_ONLY__
+#define EIGEN_DONT_VECTORIZE
+//#undef EIGEN_USE_SYCL
+#define __SYCL__REDEFINE__
+#endif
+
+/* HIP save and restore compile environment*/
+#ifdef GRID_HIP
+#pragma push
+#pragma push_macro("__HIP_DEVICE_COMPILE__")
+#endif
+#define EIGEN_NO_HIP
+
 #include <Grid/Eigen/Dense>
+#include <Grid/Eigen/unsupported/CXX11/Tensor>
+
+/* NVCC restore */
+#ifdef __NVCC__REDEFINE__
+#pragma pop_macro("__CUDACC__")
+#pragma pop_macro("__NVCC__")
+#pragma pop_macro("__CUDA_ARCH__")
+#pragma pop
+#endif
+
+/*SYCL restore*/
+#ifdef __SYCL__REDEFINE__
+#pragma pop_macro("__SYCL_DEVICE_ONLY__")
+#pragma pop
+#endif
+
+/*HIP restore*/
+#ifdef __HIP__REDEFINE__
+#pragma pop_macro("__HIP_DEVICE_COMPILE__")
+#pragma pop
+#endif
+
 #if defined __GNUC__
 #pragma GCC diagnostic pop
 #endif
+
+

Grid/Grid_Eigen_Tensor.h

@@ -0,0 +1 @@
+#include <Grid/Grid_Eigen_Dense.h>

Grid/Makefile.am

@@ -21,7 +21,8 @@ if BUILD_HDF5
   extra_headers+=serialisation/Hdf5Type.h
 endif
 
-all: version-cache
+
+all: version-cache Version.h
 
 version-cache:
 	@if [ `git status --porcelain | grep -v '??' | wc -l` -gt 0 ]; then\
@@ -42,7 +43,7 @@ version-cache:
 	fi;\
 	rm -f vertmp
 
-Version.h:
+Version.h: version-cache
 	cp version-cache Version.h
 
 .PHONY: version-cache
@@ -53,6 +54,19 @@ Version.h:
 include Make.inc
 include Eigen.inc
 
+extra_sources+=$(WILS_FERMION_FILES)
+extra_sources+=$(STAG_FERMION_FILES)
+if BUILD_ZMOBIUS
+  extra_sources+=$(ZWILS_FERMION_FILES)
+endif
+if BUILD_GPARITY
+  extra_sources+=$(GP_FERMION_FILES)
+endif
+if BUILD_FERMION_REPS
+  extra_sources+=$(ADJ_FERMION_FILES)
+  extra_sources+=$(TWOIND_FERMION_FILES)
+endif
+
 lib_LIBRARIES = libGrid.a
 
 CCFILES += $(extra_sources)

Grid/Namespace.h

@@ -0,0 +1,38 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/Namespace.h
+
+Copyright (C) 2016
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+#include <type_traits>
+#include <cassert>
+
+#define NAMESPACE_BEGIN(A) namespace A {
+#define NAMESPACE_END(A)   }
+#define GRID_NAMESPACE_BEGIN NAMESPACE_BEGIN(Grid)
+#define GRID_NAMESPACE_END   NAMESPACE_END(Grid)
+#define NAMESPACE_CHECK(x) struct namespaceTEST##x {};  static_assert(std::is_same<namespaceTEST##x, ::namespaceTEST##x>::value,"Not in :: at"  ); 

Grid/algorithms/Algorithms.h

@@ -29,33 +29,48 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #ifndef GRID_ALGORITHMS_H
 #define GRID_ALGORITHMS_H
 
+NAMESPACE_CHECK(algorithms);
 #include <Grid/algorithms/SparseMatrix.h>
 #include <Grid/algorithms/LinearOperator.h>
 #include <Grid/algorithms/Preconditioner.h>
+NAMESPACE_CHECK(SparseMatrix);
 
 #include <Grid/algorithms/approx/Zolotarev.h>
 #include <Grid/algorithms/approx/Chebyshev.h>
+#include <Grid/algorithms/approx/JacobiPolynomial.h>
 #include <Grid/algorithms/approx/Remez.h>
 #include <Grid/algorithms/approx/MultiShiftFunction.h>
 #include <Grid/algorithms/approx/Forecast.h>
-
+#include <Grid/algorithms/approx/RemezGeneral.h>
+#include <Grid/algorithms/approx/ZMobius.h>
+NAMESPACE_CHECK(approx);
 #include <Grid/algorithms/iterative/Deflation.h>
 #include <Grid/algorithms/iterative/ConjugateGradient.h>
+NAMESPACE_CHECK(ConjGrad);
+#include <Grid/algorithms/iterative/BiCGSTAB.h>
+NAMESPACE_CHECK(BiCGSTAB);
 #include <Grid/algorithms/iterative/ConjugateResidual.h>
 #include <Grid/algorithms/iterative/NormalEquations.h>
 #include <Grid/algorithms/iterative/SchurRedBlack.h>
 #include <Grid/algorithms/iterative/ConjugateGradientMultiShift.h>
 #include <Grid/algorithms/iterative/ConjugateGradientMixedPrec.h>
+#include <Grid/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h>
+#include <Grid/algorithms/iterative/ConjugateGradientMixedPrecBatched.h>
+#include <Grid/algorithms/iterative/BiCGSTABMixedPrec.h>
 #include <Grid/algorithms/iterative/BlockConjugateGradient.h>
 #include <Grid/algorithms/iterative/ConjugateGradientReliableUpdate.h>
+#include <Grid/algorithms/iterative/MinimalResidual.h>
+#include <Grid/algorithms/iterative/GeneralisedMinimalResidual.h>
+#include <Grid/algorithms/iterative/CommunicationAvoidingGeneralisedMinimalResidual.h>
+#include <Grid/algorithms/iterative/FlexibleGeneralisedMinimalResidual.h>
+#include <Grid/algorithms/iterative/FlexibleCommunicationAvoidingGeneralisedMinimalResidual.h>
+#include <Grid/algorithms/iterative/MixedPrecisionFlexibleGeneralisedMinimalResidual.h>
 #include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
+#include <Grid/algorithms/iterative/PowerMethod.h>
+
+NAMESPACE_CHECK(PowerMethod);
 #include <Grid/algorithms/CoarsenedMatrix.h>
+NAMESPACE_CHECK(CoarsendMatrix);
 #include <Grid/algorithms/FFT.h>
 
-// EigCg
-// Pcg
-// Hdcg
-// GCR
-// etc..
-
 #endif

Grid/algorithms/FFT.h

@@ -1,5 +1,4 @@
-
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -24,8 +23,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef _GRID_FFT_H_
 #define _GRID_FFT_H_
 
@@ -37,65 +36,64 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #endif
 #endif
 
+NAMESPACE_BEGIN(Grid);
 
-namespace Grid {
-
-  template<class scalar> struct FFTW { };
+template<class scalar> struct FFTW { };
 
 #ifdef HAVE_FFTW	
-  template<> struct FFTW<ComplexD> {
-  public:
+template<> struct FFTW<ComplexD> {
+public:
 
-    typedef fftw_complex FFTW_scalar;
-    typedef fftw_plan    FFTW_plan;
+  typedef fftw_complex FFTW_scalar;
+  typedef fftw_plan    FFTW_plan;
 
-    static FFTW_plan fftw_plan_many_dft(int rank, const int *n,int howmany,
-					FFTW_scalar *in, const int *inembed,		
-					int istride, int idist,		
-					FFTW_scalar *out, const int *onembed,		
-					int ostride, int odist,		
-					int sign, unsigned flags) {
-      return ::fftw_plan_many_dft(rank,n,howmany,in,inembed,istride,idist,out,onembed,ostride,odist,sign,flags);
-    }	  
+  static FFTW_plan fftw_plan_many_dft(int rank, const int *n,int howmany,
+				      FFTW_scalar *in, const int *inembed,		
+				      int istride, int idist,		
+				      FFTW_scalar *out, const int *onembed,		
+				      int ostride, int odist,		
+				      int sign, unsigned flags) {
+    return ::fftw_plan_many_dft(rank,n,howmany,in,inembed,istride,idist,out,onembed,ostride,odist,sign,flags);
+  }	  
     
-    static void fftw_flops(const FFTW_plan p,double *add, double *mul, double *fmas){
-      ::fftw_flops(p,add,mul,fmas);
-    }
+  static void fftw_flops(const FFTW_plan p,double *add, double *mul, double *fmas){
+    ::fftw_flops(p,add,mul,fmas);
+  }
 
-    inline static void fftw_execute_dft(const FFTW_plan p,FFTW_scalar *in,FFTW_scalar *out) {
-      ::fftw_execute_dft(p,in,out);
-    }
-    inline static void fftw_destroy_plan(const FFTW_plan p) {
-      ::fftw_destroy_plan(p);
-    }
-  };
+  inline static void fftw_execute_dft(const FFTW_plan p,FFTW_scalar *in,FFTW_scalar *out) {
+    ::fftw_execute_dft(p,in,out);
+  }
+  inline static void fftw_destroy_plan(const FFTW_plan p) {
+    ::fftw_destroy_plan(p);
+  }
+};
 
-  template<> struct FFTW<ComplexF> {
-  public:
+template<> struct FFTW<ComplexF> {
+public:
 
-    typedef fftwf_complex FFTW_scalar;
-    typedef fftwf_plan    FFTW_plan;
+  typedef fftwf_complex FFTW_scalar;
+  typedef fftwf_plan    FFTW_plan;
 
-    static FFTW_plan fftw_plan_many_dft(int rank, const int *n,int howmany,
-					FFTW_scalar *in, const int *inembed,		
-					int istride, int idist,		
-					FFTW_scalar *out, const int *onembed,		
-					int ostride, int odist,		
-					int sign, unsigned flags) {
-      return ::fftwf_plan_many_dft(rank,n,howmany,in,inembed,istride,idist,out,onembed,ostride,odist,sign,flags);
-    }	  
+  static FFTW_plan fftw_plan_many_dft(int rank, const int *n,int howmany,
+				      FFTW_scalar *in, const int *inembed,		
+				      int istride, int idist,		
+				      FFTW_scalar *out, const int *onembed,		
+				      int ostride, int odist,		
+				      int sign, unsigned flags) {
+    return ::fftwf_plan_many_dft(rank,n,howmany,in,inembed,istride,idist,out,onembed,ostride,odist,sign,flags);
+  }	  
     
-    static void fftw_flops(const FFTW_plan p,double *add, double *mul, double *fmas){
-      ::fftwf_flops(p,add,mul,fmas);
-    }
+  static void fftw_flops(const FFTW_plan p,double *add, double *mul, double *fmas){
+    ::fftwf_flops(p,add,mul,fmas);
+  }
 
-    inline static void fftw_execute_dft(const FFTW_plan p,FFTW_scalar *in,FFTW_scalar *out) {
-      ::fftwf_execute_dft(p,in,out);
-    }
-    inline static void fftw_destroy_plan(const FFTW_plan p) {
-      ::fftwf_destroy_plan(p);
-    }
-  };
+  inline static void fftw_execute_dft(const FFTW_plan p,FFTW_scalar *in,FFTW_scalar *out) {
+    ::fftwf_execute_dft(p,in,out);
+  }
+  inline static void fftw_destroy_plan(const FFTW_plan p) {
+    ::fftwf_destroy_plan(p);
+  }
+};
 
 #endif
 
@@ -104,203 +102,195 @@ namespace Grid {
 #define FFTW_BACKWARD (+1)
 #endif
 
-  class FFT {
-  private:
+class FFT {
+private:
     
-    GridCartesian *vgrid;
-    GridCartesian *sgrid;
+  GridCartesian *vgrid;
+  GridCartesian *sgrid;
     
-    int Nd;
-    double flops;
-    double flops_call;
-    uint64_t usec;
+  int Nd;
+  double flops;
+  double flops_call;
+  uint64_t usec;
     
-    std::vector<int> dimensions;
-    std::vector<int> processors;
-    std::vector<int> processor_coor;
+  Coordinate dimensions;
+  Coordinate processors;
+  Coordinate processor_coor;
     
-  public:
+public:
     
-    static const int forward=FFTW_FORWARD;
-    static const int backward=FFTW_BACKWARD;
+  static const int forward=FFTW_FORWARD;
+  static const int backward=FFTW_BACKWARD;
     
-    double Flops(void) {return flops;}
-    double MFlops(void) {return flops/usec;}
-    double USec(void)   {return (double)usec;}    
+  double Flops(void) {return flops;}
+  double MFlops(void) {return flops/usec;}
+  double USec(void)   {return (double)usec;}    
 
-    FFT ( GridCartesian * grid ) :
+  FFT ( GridCartesian * grid ) :
     vgrid(grid),
     Nd(grid->_ndimension),
     dimensions(grid->_fdimensions),
     processors(grid->_processors),
     processor_coor(grid->_processor_coor)
-    {
-      flops=0;
-      usec =0;
-      std::vector<int> layout(Nd,1);
-      sgrid = new GridCartesian(dimensions,layout,processors);
-    };
-    
-    ~FFT ( void)  {
-      delete sgrid;
-    }
-    
-    template<class vobj>
-    void FFT_dim_mask(Lattice<vobj> &result,const Lattice<vobj> &source,std::vector<int> mask,int sign){
-
-      conformable(result._grid,vgrid);
-      conformable(source._grid,vgrid);
-      Lattice<vobj> tmp(vgrid);
-      tmp = source;
-      for(int d=0;d<Nd;d++){
-	if( mask[d] ) {
-	  FFT_dim(result,tmp,d,sign);
-	  tmp=result;
-	}
-      }
-    }
-
-    template<class vobj>
-    void FFT_all_dim(Lattice<vobj> &result,const Lattice<vobj> &source,int sign){
-      std::vector<int> mask(Nd,1);
-      FFT_dim_mask(result,source,mask,sign);
-    }
-
-
-    template<class vobj>
-    void FFT_dim(Lattice<vobj> &result,const Lattice<vobj> &source,int dim, int sign){
-#ifndef HAVE_FFTW
-      assert(0);
-#else
-      conformable(result._grid,vgrid);
-      conformable(source._grid,vgrid);
-
-      int L = vgrid->_ldimensions[dim];
-      int G = vgrid->_fdimensions[dim];
-      
-      std::vector<int> layout(Nd,1);
-      std::vector<int> pencil_gd(vgrid->_fdimensions);
-      
-      pencil_gd[dim] = G*processors[dim];
-      
-      // Pencil global vol LxLxGxLxL per node
-      GridCartesian pencil_g(pencil_gd,layout,processors);
-      
-      // Construct pencils
-      typedef typename vobj::scalar_object sobj;
-      typedef typename sobj::scalar_type   scalar;
-      
-      Lattice<sobj> pgbuf(&pencil_g);
-      
-
-      typedef typename FFTW<scalar>::FFTW_scalar FFTW_scalar;
-      typedef typename FFTW<scalar>::FFTW_plan   FFTW_plan;
-      
-      int Ncomp = sizeof(sobj)/sizeof(scalar);
-      int Nlow  = 1;
-      for(int d=0;d<dim;d++){
-        Nlow*=vgrid->_ldimensions[d];
-      }
-      
-      int rank = 1;  /* 1d transforms */
-      int n[] = {G}; /* 1d transforms of length G */
-      int howmany = Ncomp;
-      int odist,idist,istride,ostride;
-      idist   = odist   = 1;          /* Distance between consecutive FT's */
-      istride = ostride = Ncomp*Nlow; /* distance between two elements in the same FT */
-      int *inembed = n, *onembed = n;
-      
-      scalar div;
-	  if ( sign == backward ) div = 1.0/G;
-	  else if ( sign == forward ) div = 1.0;
-	  else assert(0);
-      
-      FFTW_plan p;
-      {
-        FFTW_scalar *in = (FFTW_scalar *)&pgbuf._odata[0];
-        FFTW_scalar *out= (FFTW_scalar *)&pgbuf._odata[0];
-        p = FFTW<scalar>::fftw_plan_many_dft(rank,n,howmany,
-                                             in,inembed,
-                                             istride,idist,
-                                             out,onembed,
-                                             ostride, odist,
-                                             sign,FFTW_ESTIMATE);
-      }
-      
-      // 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
-        {
-          std::vector<int> cbuf(Nd);
-          sobj s;
-          
-          PARALLEL_FOR_LOOP_INTERN
-          for(int idx=0;idx<sgrid->lSites();idx++) {
-            sgrid->LocalIndexToLocalCoor(idx,cbuf);
-            peekLocalSite(s,result,cbuf);
-	    cbuf[dim]+=((pc+p) % processors[dim])*L;
-	    //            cbuf[dim]+=p*L;
-            pokeLocalSite(s,pgbuf,cbuf);
-          }
-        }
-        if (p != processors[dim] - 1)
-        {
-          result = Cshift(result,dim,L);
-        }
-      }
-      
-      // Loop over orthog coords
-      int NN=pencil_g.lSites();
-      GridStopWatch timer;
-      timer.Start();
-      PARALLEL_REGION
-      {
-        std::vector<int> cbuf(Nd);
-        
-        PARALLEL_FOR_LOOP_INTERN
-        for(int idx=0;idx<NN;idx++) {
-          pencil_g.LocalIndexToLocalCoor(idx, cbuf);
-          if ( cbuf[dim] == 0 ) {  // restricts loop to plane at lcoor[dim]==0
-            FFTW_scalar *in = (FFTW_scalar *)&pgbuf._odata[idx];
-            FFTW_scalar *out= (FFTW_scalar *)&pgbuf._odata[idx];
-            FFTW<scalar>::fftw_execute_dft(p,in,out);
-          }
-        }
-      }
-      timer.Stop();
-      
-      // performance counting
-      double add,mul,fma;
-      FFTW<scalar>::fftw_flops(p,&add,&mul,&fma);
-      flops_call = add+mul+2.0*fma;
-      usec += timer.useconds();
-      flops+= flops_call*NN;
-      
-      // writing out result
-      PARALLEL_REGION
-      {
-        std::vector<int> clbuf(Nd), cgbuf(Nd);
-        sobj s;
-        
-        PARALLEL_FOR_LOOP_INTERN
-        for(int idx=0;idx<sgrid->lSites();idx++) {
-          sgrid->LocalIndexToLocalCoor(idx,clbuf);
-          cgbuf = clbuf;
-          cgbuf[dim] = clbuf[dim]+L*pc;
-          peekLocalSite(s,pgbuf,cgbuf);
-          pokeLocalSite(s,result,clbuf);
-        }
-      }
-      result = result*div;
-      
-      // destroying plan
-      FFTW<scalar>::fftw_destroy_plan(p);
-#endif
-    }
+  {
+    flops=0;
+    usec =0;
+    Coordinate layout(Nd,1);
+    sgrid = new GridCartesian(dimensions,layout,processors,*grid);
   };
-}
+    
+  ~FFT ( void)  {
+    delete sgrid;
+  }
+    
+  template<class vobj>
+  void FFT_dim_mask(Lattice<vobj> &result,const Lattice<vobj> &source,Coordinate mask,int sign){
+
+    conformable(result.Grid(),vgrid);
+    conformable(source.Grid(),vgrid);
+    Lattice<vobj> tmp(vgrid);
+    tmp = source;
+    for(int d=0;d<Nd;d++){
+      if( mask[d] ) {
+	FFT_dim(result,tmp,d,sign);
+	tmp=result;
+      }
+    }
+  }
+
+  template<class vobj>
+  void FFT_all_dim(Lattice<vobj> &result,const Lattice<vobj> &source,int sign){
+    Coordinate mask(Nd,1);
+    FFT_dim_mask(result,source,mask,sign);
+  }
+
+
+  template<class vobj>
+  void FFT_dim(Lattice<vobj> &result,const Lattice<vobj> &source,int dim, int sign){
+#ifndef HAVE_FFTW
+    assert(0);
+#else
+    conformable(result.Grid(),vgrid);
+    conformable(source.Grid(),vgrid);
+
+    int L = vgrid->_ldimensions[dim];
+    int G = vgrid->_fdimensions[dim];
+      
+    Coordinate layout(Nd,1);
+    Coordinate pencil_gd(vgrid->_fdimensions);
+      
+    pencil_gd[dim] = G*processors[dim];
+      
+    // Pencil global vol LxLxGxLxL per node
+    GridCartesian pencil_g(pencil_gd,layout,processors,*vgrid);
+      
+    // Construct pencils
+    typedef typename vobj::scalar_object sobj;
+    typedef typename sobj::scalar_type   scalar;
+      
+    Lattice<sobj> pgbuf(&pencil_g);
+    autoView(pgbuf_v , pgbuf, CpuWrite);
+
+    typedef typename FFTW<scalar>::FFTW_scalar FFTW_scalar;
+    typedef typename FFTW<scalar>::FFTW_plan   FFTW_plan;
+      
+    int Ncomp = sizeof(sobj)/sizeof(scalar);
+    int Nlow  = 1;
+    for(int d=0;d<dim;d++){
+      Nlow*=vgrid->_ldimensions[d];
+    }
+      
+    int rank = 1;  /* 1d transforms */
+    int n[] = {G}; /* 1d transforms of length G */
+    int howmany = Ncomp;
+    int odist,idist,istride,ostride;
+    idist   = odist   = 1;          /* Distance between consecutive FT's */
+    istride = ostride = Ncomp*Nlow; /* distance between two elements in the same FT */
+    int *inembed = n, *onembed = n;
+      
+    scalar div;
+    if ( sign == backward ) div = 1.0/G;
+    else if ( sign == forward ) div = 1.0;
+    else assert(0);
+      
+    FFTW_plan p;
+    {
+      FFTW_scalar *in = (FFTW_scalar *)&pgbuf_v[0];
+      FFTW_scalar *out= (FFTW_scalar *)&pgbuf_v[0];
+      p = FFTW<scalar>::fftw_plan_many_dft(rank,n,howmany,
+					   in,inembed,
+					   istride,idist,
+					   out,onembed,
+					   ostride, odist,
+					   sign,FFTW_ESTIMATE);
+    }
+      
+    // Barrel shift and collect global pencil
+    Coordinate lcoor(Nd), gcoor(Nd);
+    result = source;
+    int pc = processor_coor[dim];
+    for(int p=0;p<processors[dim];p++) {
+      {
+	autoView(r_v,result,CpuRead);
+	autoView(p_v,pgbuf,CpuWrite);
+	thread_for(idx, sgrid->lSites(),{
+          Coordinate cbuf(Nd);
+          sobj s;
+	  sgrid->LocalIndexToLocalCoor(idx,cbuf);
+	  peekLocalSite(s,r_v,cbuf);
+	  cbuf[dim]+=((pc+p) % processors[dim])*L;
+	  pokeLocalSite(s,p_v,cbuf);
+        });
+      }
+      if (p != processors[dim] - 1) {
+	result = Cshift(result,dim,L);
+      }
+    }
+      
+    // Loop over orthog coords
+    int NN=pencil_g.lSites();
+    GridStopWatch timer;
+    timer.Start();
+    thread_for( idx,NN,{
+        Coordinate cbuf(Nd);
+	pencil_g.LocalIndexToLocalCoor(idx, cbuf);
+	if ( cbuf[dim] == 0 ) {  // restricts loop to plane at lcoor[dim]==0
+	  FFTW_scalar *in = (FFTW_scalar *)&pgbuf_v[idx];
+	  FFTW_scalar *out= (FFTW_scalar *)&pgbuf_v[idx];
+	  FFTW<scalar>::fftw_execute_dft(p,in,out);
+	}
+    });
+    timer.Stop();
+      
+    // performance counting
+    double add,mul,fma;
+    FFTW<scalar>::fftw_flops(p,&add,&mul,&fma);
+    flops_call = add+mul+2.0*fma;
+    usec += timer.useconds();
+    flops+= flops_call*NN;
+      
+    // writing out result
+    {
+      autoView(pgbuf_v,pgbuf,CpuRead);
+      autoView(result_v,result,CpuWrite);
+      thread_for(idx,sgrid->lSites(),{
+	Coordinate clbuf(Nd), cgbuf(Nd);
+	sobj s;
+	sgrid->LocalIndexToLocalCoor(idx,clbuf);
+	cgbuf = clbuf;
+	cgbuf[dim] = clbuf[dim]+L*pc;
+	peekLocalSite(s,pgbuf_v,cgbuf);
+	pokeLocalSite(s,result_v,clbuf);
+      });
+    }
+    result = result*div;
+      
+    // destroying plan
+    FFTW<scalar>::fftw_destroy_plan(p);
+#endif
+  }
+};
+
+NAMESPACE_END(Grid);
 
 #endif

Grid/algorithms/Preconditioner.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,24 +23,30 @@ Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_PRECONDITIONER_H
 #define GRID_PRECONDITIONER_H
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-  template<class Field> class Preconditioner :  public LinearFunction<Field> { 
-    virtual void operator()(const Field &src, Field & psi)=0;
-  };
+template<class Field> using Preconditioner =  LinearFunction<Field> ;
 
-  template<class Field> class TrivialPrecon :  public Preconditioner<Field> { 
-  public:
-    void operator()(const Field &src, Field & psi){
-      psi = src;
-    }
-    TrivialPrecon(void){};
-  };
+/*
+template<class Field> class Preconditioner :  public LinearFunction<Field> {
+  using LinearFunction<Field>::operator();
+  virtual void operator()(const Field &src, Field & psi)=0;
+};
+*/
 
-}
+template<class Field> class TrivialPrecon :  public Preconditioner<Field> { 
+public:
+  using Preconditioner<Field>::operator();
+  virtual void operator()(const Field &src, Field & psi){
+    psi = src;
+  }
+  TrivialPrecon(void){};
+};
+
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/SparseMatrix.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,57 +23,59 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef  GRID_ALGORITHM_SPARSE_MATRIX_H
 #define  GRID_ALGORITHM_SPARSE_MATRIX_H
 
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-  /////////////////////////////////////////////////////////////////////////////////////////////
-  // Interface defining what I expect of a general sparse matrix, such as a Fermion action
-  /////////////////////////////////////////////////////////////////////////////////////////////
-    template<class Field> class SparseMatrixBase {
-    public:
-      virtual GridBase *Grid(void) =0;
-      // Full checkerboar operations
-      virtual RealD M    (const Field &in, Field &out)=0;
-      virtual RealD Mdag (const Field &in, Field &out)=0;
-      virtual void  MdagM(const Field &in, Field &out,RealD &ni,RealD &no) {
-	Field tmp (in._grid);
-	ni=M(in,tmp);
-	no=Mdag(tmp,out);
-      }
-      virtual  void Mdiag    (const Field &in, Field &out)=0;
-      virtual  void Mdir     (const Field &in, Field &out,int dir, int disp)=0;
-    };
+/////////////////////////////////////////////////////////////////////////////////////////////
+// Interface defining what I expect of a general sparse matrix, such as a Fermion action
+/////////////////////////////////////////////////////////////////////////////////////////////
+template<class Field> class SparseMatrixBase {
+public:
+  virtual GridBase *Grid(void) =0;
+  // Full checkerboar operations
+  virtual void  M    (const Field &in, Field &out)=0;
+  virtual void  Mdag (const Field &in, Field &out)=0;
+  virtual void  MdagM(const Field &in, Field &out) {
+    Field tmp (in.Grid());
+    M(in,tmp);
+    Mdag(tmp,out);
+  }
+  virtual  void Mdiag    (const Field &in, Field &out)=0;
+  virtual  void Mdir     (const Field &in, Field &out,int dir, int disp)=0;
+  virtual  void MdirAll  (const Field &in, std::vector<Field> &out)=0;
+  virtual ~SparseMatrixBase() {};
+};
 
-  /////////////////////////////////////////////////////////////////////////////////////////////
-  // Interface augmented by a red black sparse matrix, such as a Fermion action
-  /////////////////////////////////////////////////////////////////////////////////////////////
-    template<class Field> class CheckerBoardedSparseMatrixBase : public SparseMatrixBase<Field> {
-    public:
-      virtual GridBase *RedBlackGrid(void)=0;
+/////////////////////////////////////////////////////////////////////////////////////////////
+// Interface augmented by a red black sparse matrix, such as a Fermion action
+/////////////////////////////////////////////////////////////////////////////////////////////
+template<class Field> class CheckerBoardedSparseMatrixBase : public SparseMatrixBase<Field> {
+public:
+  virtual GridBase *RedBlackGrid(void)=0;
 
-      //////////////////////////////////////////////////////////////////////
-      // Query the even even properties to make algorithmic decisions
-      //////////////////////////////////////////////////////////////////////
-      virtual RealD  Mass(void)        { return 0.0; };
-      virtual int    ConstEE(void)     { return 0; }; // Disable assumptions unless overridden
-      virtual int    isTrivialEE(void) { return 0; }; // by a derived class that knows better
+  //////////////////////////////////////////////////////////////////////
+  // Query the even even properties to make algorithmic decisions
+  //////////////////////////////////////////////////////////////////////
+  virtual RealD  Mass(void)        { return 0.0; };
+  virtual int    ConstEE(void)     { return 1; }; // Disable assumptions unless overridden
+  virtual int    isTrivialEE(void) { return 0; }; // by a derived class that knows better
 
-      // half checkerboard operaions
-      virtual  void Meooe    (const Field &in, Field &out)=0;
-      virtual  void Mooee    (const Field &in, Field &out)=0;
-      virtual  void MooeeInv (const Field &in, Field &out)=0;
+  // half checkerboard operaions
+  virtual  void Meooe    (const Field &in, Field &out)=0;
+  virtual  void Mooee    (const Field &in, Field &out)=0;
+  virtual  void MooeeInv (const Field &in, Field &out)=0;
 
-      virtual  void MeooeDag    (const Field &in, Field &out)=0;
-      virtual  void MooeeDag    (const Field &in, Field &out)=0;
-      virtual  void MooeeInvDag (const Field &in, Field &out)=0;
+  virtual  void MeooeDag    (const Field &in, Field &out)=0;
+  virtual  void MooeeDag    (const Field &in, Field &out)=0;
+  virtual  void MooeeInvDag (const Field &in, Field &out)=0;
+  virtual ~CheckerBoardedSparseMatrixBase() {};
+};
 
-    };
-
-}
+NAMESPACE_END(Grid);
 
 #endif

Grid/algorithms/approx/Chebyshev.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -25,14 +25,14 @@ Author: Christoph Lehner <clehner@bnl.gov>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_CHEBYSHEV_H
 #define GRID_CHEBYSHEV_H
 
 #include <Grid/algorithms/LinearOperator.h>
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
 struct ChebyParams : Serializable {
   GRID_SERIALIZABLE_CLASS_MEMBERS(ChebyParams,
@@ -41,337 +41,355 @@ struct ChebyParams : Serializable {
 				  int, Npoly);
 };
 
-  ////////////////////////////////////////////////////////////////////////////////////////////
-  // Generic Chebyshev approximations
-  ////////////////////////////////////////////////////////////////////////////////////////////
-  template<class Field>
-  class Chebyshev : public OperatorFunction<Field> {
-  private:
-    std::vector<RealD> Coeffs;
-    int order;
-    RealD hi;
-    RealD lo;
+////////////////////////////////////////////////////////////////////////////////////////////
+// Generic Chebyshev approximations
+////////////////////////////////////////////////////////////////////////////////////////////
+template<class Field>
+class Chebyshev : public OperatorFunction<Field> {
+private:
+  using OperatorFunction<Field>::operator();
 
-  public:
-    void csv(std::ostream &out){
-      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;
-      }
-      return;
+  std::vector<RealD> Coeffs;
+  int order;
+  RealD hi;
+  RealD lo;
+
+public:
+  void csv(std::ostream &out){
+    RealD diff = hi-lo;
+    RealD delta = diff*1.0e-9;
+    for (RealD x=lo; x<hi; x+=delta) {
+      delta*=1.1;
+      RealD f = approx(x);
+      out<< x<<" "<<f<<std::endl;
     }
+    return;
+  }
 
-    // Convenience for plotting the approximation
-    void   PlotApprox(std::ostream &out) {
-      out<<"Polynomial approx ["<<lo<<","<<hi<<"]"<<std::endl;
-      for(RealD x=lo;x<hi;x+=(hi-lo)/50.0){
-	out <<x<<"\t"<<approx(x)<<std::endl;
-      }
-    };
-
-    Chebyshev(){};
-    Chebyshev(ChebyParams p){ Init(p.alpha,p.beta,p.Npoly);};
-    Chebyshev(RealD _lo,RealD _hi,int _order, RealD (* func)(RealD) ) {Init(_lo,_hi,_order,func);};
-    Chebyshev(RealD _lo,RealD _hi,int _order) {Init(_lo,_hi,_order);};
-
-    ////////////////////////////////////////////////////////////////////////////////////////////////////
-    // c.f. numerical recipes "chebft"/"chebev". This is sec 5.8 "Chebyshev approximation".
-    ////////////////////////////////////////////////////////////////////////////////////////////////////
-// CJ: the one we need for Lanczos
-    void Init(RealD _lo,RealD _hi,int _order)
-    {
-      lo=_lo;
-      hi=_hi;
-      order=_order;
-      
-      if(order < 2) exit(-1);
-      Coeffs.resize(order);
-      Coeffs.assign(0.,order);
-      Coeffs[order-1] = 1.;
-    };
-
-    void Init(RealD _lo,RealD _hi,int _order, RealD (* func)(RealD))
-    {
-      lo=_lo;
-      hi=_hi;
-      order=_order;
-      
-      if(order < 2) exit(-1);
-      Coeffs.resize(order);
-      for(int j=0;j<order;j++){
-	RealD s=0;
-	for(int k=0;k<order;k++){
-	  RealD y=std::cos(M_PI*(k+0.5)/order);
-	  RealD x=0.5*(y*(hi-lo)+(hi+lo));
-	  RealD f=func(x);
-	  s=s+f*std::cos( j*M_PI*(k+0.5)/order );
-	}
-	Coeffs[j] = s * 2.0/order;
-      }
-    };
-
-    
-    void JacksonSmooth(void){
-      RealD M=order;
-      RealD alpha = M_PI/(M+2);
-      RealD lmax = std::cos(alpha);
-      RealD sumUsq =0;
-      std::vector<RealD> U(M);
-      std::vector<RealD> a(M);
-      std::vector<RealD> g(M);
-      for(int n=0;n<=M;n++){
-	U[n] = std::sin((n+1)*std::acos(lmax))/std::sin(std::acos(lmax));
-	sumUsq += U[n]*U[n];
-      }      
-      sumUsq = std::sqrt(sumUsq);
-
-      for(int i=1;i<=M;i++){
-	a[i] = U[i]/sumUsq;
-      }
-      g[0] = 1.0;
-      for(int m=1;m<=M;m++){
-	g[m] = 0;
-	for(int i=0;i<=M-m;i++){
-	  g[m]+= a[i]*a[m+i];
-	}
-      }
-      for(int m=1;m<=M;m++){
-	Coeffs[m]*=g[m];
-      }
-    }
-    RealD approx(RealD x) // Convenience for plotting the approximation
-    {
-      RealD Tn;
-      RealD Tnm;
-      RealD Tnp;
-      
-      RealD y=( x-0.5*(hi+lo))/(0.5*(hi-lo));
-      
-      RealD T0=1;
-      RealD T1=y;
-      
-      RealD sum;
-      sum = 0.5*Coeffs[0]*T0;
-      sum+= Coeffs[1]*T1;
-      
-      Tn =T1;
-      Tnm=T0;
-      for(int i=2;i<order;i++){
-	Tnp=2*y*Tn-Tnm;
-	Tnm=Tn;
-	Tn =Tnp;
-	sum+= Tn*Coeffs[i];
-      }
-      return sum;
-    };
-
-    RealD approxD(RealD x)
-    {
-      RealD Un;
-      RealD Unm;
-      RealD Unp;
-      
-      RealD y=( x-0.5*(hi+lo))/(0.5*(hi-lo));
-      
-      RealD U0=1;
-      RealD U1=2*y;
-      
-      RealD sum;
-      sum = Coeffs[1]*U0;
-      sum+= Coeffs[2]*U1*2.0;
-      
-      Un =U1;
-      Unm=U0;
-      for(int i=2;i<order-1;i++){
-	Unp=2*y*Un-Unm;
-	Unm=Un;
-	Un =Unp;
-	sum+= Un*Coeffs[i+1]*(i+1.0);
-      }
-      return sum/(0.5*(hi-lo));
-    };
-    
-    RealD approxInv(RealD z, RealD x0, int maxiter, RealD resid) {
-      RealD x = x0;
-      RealD eps;
-      
-      int i;
-      for (i=0;i<maxiter;i++) {
-	eps = approx(x) - z;
-	if (fabs(eps / z) < resid)
-	  return x;
-	x = x - eps / approxD(x);
-      }
-      
-      return std::numeric_limits<double>::quiet_NaN();
-    }
-    
-    // Implement the required interface
-    void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
-
-      GridBase *grid=in._grid;
-
-      // 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();
-
-      Field T0(grid); T0 = in;  
-      Field T1(grid); 
-      Field T2(grid);
-      Field y(grid);
-      
-      Field *Tnm = &T0;
-      Field *Tn  = &T1;
-      Field *Tnp = &T2;
-
-      // Tn=T1 = (xscale M + mscale)in
-      RealD xscale = 2.0/(hi-lo);
-      RealD mscale = -(hi+lo)/(hi-lo);
-      Linop.HermOp(T0,y);
-      T1=y*xscale+in*mscale;
-
-      // sum = .5 c[0] T0 + c[1] T1
-      out = (0.5*Coeffs[0])*T0 + Coeffs[1]*T1;
-      for(int n=2;n<order;n++){
-	
-	Linop.HermOp(*Tn,y);
-
-	y=xscale*y+mscale*(*Tn);
-
-	*Tnp=2.0*y-(*Tnm);
-
-	out=out+Coeffs[n]* (*Tnp);
-
-	// Cycle pointers to avoid copies
-	Field *swizzle = Tnm;
-	Tnm    =Tn;
-	Tn     =Tnp;
-	Tnp    =swizzle;
-	  
-      }
+  // Convenience for plotting the approximation
+  void   PlotApprox(std::ostream &out) {
+    out<<"Polynomial approx ["<<lo<<","<<hi<<"]"<<std::endl;
+    for(RealD x=lo;x<hi;x+=(hi-lo)/50.0){
+      out <<x<<"\t"<<approx(x)<<std::endl;
     }
   };
 
+  Chebyshev(){};
+  Chebyshev(ChebyParams p){ Init(p.alpha,p.beta,p.Npoly);};
+  Chebyshev(RealD _lo,RealD _hi,int _order, RealD (* func)(RealD) ) {Init(_lo,_hi,_order,func);};
+  Chebyshev(RealD _lo,RealD _hi,int _order) {Init(_lo,_hi,_order);};
 
-  template<class Field>
-  class ChebyshevLanczos : public Chebyshev<Field> {
-  private:
-    std::vector<RealD> Coeffs;
-    int order;
-    RealD alpha;
-    RealD beta;
-    RealD mu;
+  ////////////////////////////////////////////////////////////////////////////////////////////////////
+  // c.f. numerical recipes "chebft"/"chebev". This is sec 5.8 "Chebyshev approximation".
+  ////////////////////////////////////////////////////////////////////////////////////////////////////
+  // CJ: the one we need for Lanczos
+  void Init(RealD _lo,RealD _hi,int _order)
+  {
+    lo=_lo;
+    hi=_hi;
+    order=_order;
+      
+    if(order < 2) exit(-1);
+    Coeffs.resize(order);
+    Coeffs.assign(0.,order);
+    Coeffs[order-1] = 1.;
+  };
+  
+  // PB - more efficient low pass drops high modes above the low as 1/x uses all Chebyshev's.
+  // Similar kick effect below the threshold as Lanczos filter approach
+  void InitLowPass(RealD _lo,RealD _hi,int _order)
+  {
+    lo=_lo;
+    hi=_hi;
+    order=_order;
+      
+    if(order < 2) exit(-1);
+    Coeffs.resize(order);
+    for(int j=0;j<order;j++){
+      RealD k=(order-1.0);
+      RealD s=std::cos( j*M_PI*(k+0.5)/order );
+      Coeffs[j] = s * 2.0/order;
+    }
+    
+  };
 
-  public:
-    ChebyshevLanczos(RealD _alpha,RealD _beta,RealD _mu,int _order) :
+  void Init(RealD _lo,RealD _hi,int _order, RealD (* func)(RealD))
+  {
+    lo=_lo;
+    hi=_hi;
+    order=_order;
+      
+    if(order < 2) exit(-1);
+    Coeffs.resize(order);
+    for(int j=0;j<order;j++){
+      RealD s=0;
+      for(int k=0;k<order;k++){
+	RealD y=std::cos(M_PI*(k+0.5)/order);
+	RealD x=0.5*(y*(hi-lo)+(hi+lo));
+	RealD f=func(x);
+	s=s+f*std::cos( j*M_PI*(k+0.5)/order );
+      }
+      Coeffs[j] = s * 2.0/order;
+    }
+  };
+
+    
+  void JacksonSmooth(void){
+    RealD M=order;
+    RealD alpha = M_PI/(M+2);
+    RealD lmax = std::cos(alpha);
+    RealD sumUsq =0;
+    std::vector<RealD> U(M);
+    std::vector<RealD> a(M);
+    std::vector<RealD> g(M);
+    for(int n=0;n<=M;n++){
+      U[n] = std::sin((n+1)*std::acos(lmax))/std::sin(std::acos(lmax));
+      sumUsq += U[n]*U[n];
+    }      
+    sumUsq = std::sqrt(sumUsq);
+
+    for(int i=1;i<=M;i++){
+      a[i] = U[i]/sumUsq;
+    }
+    g[0] = 1.0;
+    for(int m=1;m<=M;m++){
+      g[m] = 0;
+      for(int i=0;i<=M-m;i++){
+	g[m]+= a[i]*a[m+i];
+      }
+    }
+    for(int m=1;m<=M;m++){
+      Coeffs[m]*=g[m];
+    }
+  }
+  RealD approx(RealD x) // Convenience for plotting the approximation
+  {
+    RealD Tn;
+    RealD Tnm;
+    RealD Tnp;
+      
+    RealD y=( x-0.5*(hi+lo))/(0.5*(hi-lo));
+      
+    RealD T0=1;
+    RealD T1=y;
+      
+    RealD sum;
+    sum = 0.5*Coeffs[0]*T0;
+    sum+= Coeffs[1]*T1;
+      
+    Tn =T1;
+    Tnm=T0;
+    for(int i=2;i<order;i++){
+      Tnp=2*y*Tn-Tnm;
+      Tnm=Tn;
+      Tn =Tnp;
+      sum+= Tn*Coeffs[i];
+    }
+    return sum;
+  };
+
+  RealD approxD(RealD x)
+  {
+    RealD Un;
+    RealD Unm;
+    RealD Unp;
+      
+    RealD y=( x-0.5*(hi+lo))/(0.5*(hi-lo));
+      
+    RealD U0=1;
+    RealD U1=2*y;
+      
+    RealD sum;
+    sum = Coeffs[1]*U0;
+    sum+= Coeffs[2]*U1*2.0;
+      
+    Un =U1;
+    Unm=U0;
+    for(int i=2;i<order-1;i++){
+      Unp=2*y*Un-Unm;
+      Unm=Un;
+      Un =Unp;
+      sum+= Un*Coeffs[i+1]*(i+1.0);
+    }
+    return sum/(0.5*(hi-lo));
+  };
+    
+  RealD approxInv(RealD z, RealD x0, int maxiter, RealD resid) {
+    RealD x = x0;
+    RealD eps;
+      
+    int i;
+    for (i=0;i<maxiter;i++) {
+      eps = approx(x) - z;
+      if (fabs(eps / z) < resid)
+	return x;
+      x = x - eps / approxD(x);
+    }
+      
+    return std::numeric_limits<double>::quiet_NaN();
+  }
+    
+  // Implement the required interface
+  void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
+
+    GridBase *grid=in.Grid();
+
+    int vol=grid->gSites();
+    typedef typename Field::vector_type vector_type;
+
+    Field T0(grid); T0 = in;  
+    Field T1(grid); 
+    Field T2(grid);
+    Field y(grid);
+      
+    Field *Tnm = &T0;
+    Field *Tn  = &T1;
+    Field *Tnp = &T2;
+
+    // Tn=T1 = (xscale M + mscale)in
+    RealD xscale = 2.0/(hi-lo);
+    RealD mscale = -(hi+lo)/(hi-lo);
+    Linop.HermOp(T0,y);
+    axpby(T1,xscale,mscale,y,in);
+
+    // sum = .5 c[0] T0 + c[1] T1
+    //    out = ()*T0 + Coeffs[1]*T1;
+    axpby(out,0.5*Coeffs[0],Coeffs[1],T0,T1);
+    for(int n=2;n<order;n++){
+
+      Linop.HermOp(*Tn,y);
+      axpby(y,xscale,mscale,y,(*Tn));
+      axpby(*Tnp,2.0,-1.0,y,(*Tnm));
+      if ( Coeffs[n] != 0.0) {
+	axpy(out,Coeffs[n],*Tnp,out);
+      }
+
+      // Cycle pointers to avoid copies
+      Field *swizzle = Tnm;
+      Tnm    =Tn;
+      Tn     =Tnp;
+      Tnp    =swizzle;
+	  
+    }
+  }
+};
+
+
+template<class Field>
+class ChebyshevLanczos : public Chebyshev<Field> {
+private:
+  std::vector<RealD> Coeffs;
+  int order;
+  RealD alpha;
+  RealD beta;
+  RealD mu;
+
+public:
+  ChebyshevLanczos(RealD _alpha,RealD _beta,RealD _mu,int _order) :
     alpha(_alpha),
-      beta(_beta),
-          mu(_mu)
-    {
-      order=_order;
-      Coeffs.resize(order);
-      for(int i=0;i<_order;i++){
-	Coeffs[i] = 0.0;
-      }
-      Coeffs[order-1]=1.0;
-    };
-
-    void csv(std::ostream &out){
-      for (RealD x=-1.2*alpha; x<1.2*alpha; x+=(2.0*alpha)/10000) {
-	RealD f = approx(x);
-	out<< x<<" "<<f<<std::endl;
-      }
-      return;
-    }
-
-    RealD approx(RealD xx) // Convenience for plotting the approximation
-    {
-      RealD Tn;
-      RealD Tnm;
-      RealD Tnp;
-      Real aa = alpha * alpha;
-      Real bb = beta  *  beta;
-      
-      RealD x = ( 2.0 * (xx-mu)*(xx-mu) - (aa+bb) ) / (aa-bb);
-
-      RealD y= x;
-      
-      RealD T0=1;
-      RealD T1=y;
-      
-      RealD sum;
-      sum = 0.5*Coeffs[0]*T0;
-      sum+= Coeffs[1]*T1;
-      
-      Tn =T1;
-      Tnm=T0;
-      for(int i=2;i<order;i++){
-	Tnp=2*y*Tn-Tnm;
-	Tnm=Tn;
-	Tn =Tnp;
-	sum+= Tn*Coeffs[i];
-      }
-      return sum;
-    };
-
-    // shift_Multiply in Rudy's code
-    void AminusMuSq(LinearOperatorBase<Field> &Linop, const Field &in, Field &out) 
-    {
-      GridBase *grid=in._grid;
-      Field tmp(grid);
-
-      RealD aa= alpha*alpha;
-      RealD bb= beta * beta;
-
-      Linop.HermOp(in,out);
-      out = out - mu*in;
-
-      Linop.HermOp(out,tmp);
-      tmp = tmp - mu * out;
-
-      out = (2.0/ (aa-bb) ) * tmp -  ((aa+bb)/(aa-bb))*in;
-    };
-    // Implement the required interface
-    void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
-
-      GridBase *grid=in._grid;
-
-      int vol=grid->gSites();
-
-      Field T0(grid); T0 = in;  
-      Field T1(grid); 
-      Field T2(grid);
-      Field  y(grid);
-      
-      Field *Tnm = &T0;
-      Field *Tn  = &T1;
-      Field *Tnp = &T2;
-
-      // Tn=T1 = (xscale M )*in
-      AminusMuSq(Linop,T0,T1);
-
-      // sum = .5 c[0] T0 + c[1] T1
-      out = (0.5*Coeffs[0])*T0 + Coeffs[1]*T1;
-      for(int n=2;n<order;n++){
-	
-	AminusMuSq(Linop,*Tn,y);
-
-	*Tnp=2.0*y-(*Tnm);
-
-	out=out+Coeffs[n]* (*Tnp);
-
-	// Cycle pointers to avoid copies
-	Field *swizzle = Tnm;
-	Tnm    =Tn;
-	Tn     =Tnp;
-	Tnp    =swizzle;
-	  
-      }
+    beta(_beta),
+    mu(_mu)
+  {
+    order=_order;
+    Coeffs.resize(order);
+    for(int i=0;i<_order;i++){
+      Coeffs[i] = 0.0;
     }
+    Coeffs[order-1]=1.0;
   };
-}
+
+  void csv(std::ostream &out){
+    for (RealD x=-1.2*alpha; x<1.2*alpha; x+=(2.0*alpha)/10000) {
+      RealD f = approx(x);
+      out<< x<<" "<<f<<std::endl;
+    }
+    return;
+  }
+
+  RealD approx(RealD xx) // Convenience for plotting the approximation
+  {
+    RealD Tn;
+    RealD Tnm;
+    RealD Tnp;
+    Real aa = alpha * alpha;
+    Real bb = beta  *  beta;
+      
+    RealD x = ( 2.0 * (xx-mu)*(xx-mu) - (aa+bb) ) / (aa-bb);
+
+    RealD y= x;
+      
+    RealD T0=1;
+    RealD T1=y;
+      
+    RealD sum;
+    sum = 0.5*Coeffs[0]*T0;
+    sum+= Coeffs[1]*T1;
+      
+    Tn =T1;
+    Tnm=T0;
+    for(int i=2;i<order;i++){
+      Tnp=2*y*Tn-Tnm;
+      Tnm=Tn;
+      Tn =Tnp;
+      sum+= Tn*Coeffs[i];
+    }
+    return sum;
+  };
+
+  // shift_Multiply in Rudy's code
+  void AminusMuSq(LinearOperatorBase<Field> &Linop, const Field &in, Field &out) 
+  {
+    GridBase *grid=in.Grid();
+    Field tmp(grid);
+
+    RealD aa= alpha*alpha;
+    RealD bb= beta * beta;
+
+    Linop.HermOp(in,out);
+    out = out - mu*in;
+
+    Linop.HermOp(out,tmp);
+    tmp = tmp - mu * out;
+
+    out = (2.0/ (aa-bb) ) * tmp -  ((aa+bb)/(aa-bb))*in;
+  };
+  // Implement the required interface
+  void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
+
+    GridBase *grid=in.Grid();
+
+    int vol=grid->gSites();
+
+    Field T0(grid); T0 = in;  
+    Field T1(grid); 
+    Field T2(grid);
+    Field  y(grid);
+      
+    Field *Tnm = &T0;
+    Field *Tn  = &T1;
+    Field *Tnp = &T2;
+
+    // Tn=T1 = (xscale M )*in
+    AminusMuSq(Linop,T0,T1);
+
+    // sum = .5 c[0] T0 + c[1] T1
+    out = (0.5*Coeffs[0])*T0 + Coeffs[1]*T1;
+    for(int n=2;n<order;n++){
+	
+      AminusMuSq(Linop,*Tn,y);
+
+      *Tnp=2.0*y-(*Tnm);
+
+      out=out+Coeffs[n]* (*Tnp);
+
+      // Cycle pointers to avoid copies
+      Field *swizzle = Tnm;
+      Tnm    =Tn;
+      Tn     =Tnp;
+      Tnp    =swizzle;
+	  
+    }
+  }
+};
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/approx/Forecast.h

@@ -26,127 +26,127 @@ with this program; if not, write to the Free Software Foundation, Inc.,
 
 See the full license in the file "LICENSE" in the top level distribution directory
 *************************************************************************************/
-/*  END LEGAL */
+			   /*  END LEGAL */
 
 #ifndef INCLUDED_FORECAST_H
 #define INCLUDED_FORECAST_H
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-  // Abstract base class.
-  // Takes a matrix (Mat), a source (phi), and a vector of Fields (chi)
-  // and returns a forecasted solution to the system D*psi = phi (psi).
-  template<class Matrix, class Field>
-  class Forecast
+// 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)
   {
-    public:
-      virtual Field operator()(Matrix &Mat, const Field& phi, const std::vector<Field>& chi) = 0;
+    int degree = prev_solns.size();
+    Field chi(phi); // forecasted solution
+
+    // Trivial cases
+    if(degree == 0){ chi = Zero(); return chi; }
+    else if(degree == 1){ return prev_solns[0]; }
+
+    //    RealD dot;
+    ComplexD xp;
+    Field r(phi); // residual
+    Field Mv(phi);
+    std::vector<Field> v(prev_solns); // orthonormalized previous solutions
+    std::vector<Field> MdagMv(degree,phi);
+
+    // Array to hold the matrix elements
+    std::vector<std::vector<ComplexD>> G(degree, std::vector<ComplexD>(degree));
+
+    // Solution and source vectors
+    std::vector<ComplexD> a(degree);
+    std::vector<ComplexD> b(degree);
+
+    // Orthonormalize the vector basis
+    for(int i=0; i<degree; i++){
+      v[i] *= 1.0/std::sqrt(norm2(v[i]));
+      for(int j=i+1; j<degree; j++){ v[j] -= innerProduct(v[i],v[j]) * v[i]; }
+    }
+
+    // Perform sparse matrix multiplication and construct rhs
+    for(int i=0; i<degree; i++){
+      b[i] = innerProduct(v[i],phi);
+      Mat.M(v[i],Mv);
+      Mat.Mdag(Mv,MdagMv[i]);
+      G[i][i] = innerProduct(v[i],MdagMv[i]);
+    }
+
+    // Construct the matrix
+    for(int j=0; j<degree; j++){
+      for(int k=j+1; k<degree; k++){
+	G[j][k] = innerProduct(v[j],MdagMv[k]);
+	G[k][j] = conjugate(G[j][k]);
+      }}
+
+    // Gauss-Jordan elimination with partial pivoting
+    for(int i=0; i<degree; i++){
+
+      // Perform partial pivoting
+      int k = i;
+      for(int j=i+1; j<degree; j++){ if(abs(G[j][j]) > abs(G[k][k])){ k = j; } }
+      if(k != i){
+	xp = b[k];
+	b[k] = b[i];
+	b[i] = xp;
+	for(int j=0; j<degree; j++){
+	  xp = G[k][j];
+	  G[k][j] = G[i][j];
+	  G[i][j] = xp;
+	}
+      }
+
+      // Convert matrix to upper triangular form
+      for(int j=i+1; j<degree; j++){
+	xp = G[j][i]/G[i][i];
+	b[j] -= xp * b[i];
+	for(int k=0; k<degree; k++){ G[j][k] -= xp*G[i][k]; }
+      }
+    }
+
+    // Use Gaussian elimination to solve equations and calculate initial guess
+    chi = Zero();
+    r = phi;
+    for(int i=degree-1; i>=0; i--){
+      a[i] = 0.0;
+      for(int j=i+1; j<degree; j++){ a[i] += G[i][j] * a[j]; }
+      a[i] = (b[i]-a[i])/G[i][i];
+      chi += a[i]*v[i];
+      r -= a[i]*MdagMv[i];
+    }
+
+    RealD true_r(0.0);
+    ComplexD tmp;
+    for(int i=0; i<degree; i++){
+      tmp = -b[i];
+      for(int j=0; j<degree; j++){ tmp += G[i][j]*a[j]; }
+      tmp = conjugate(tmp)*tmp;
+      true_r += std::sqrt(tmp.real());
+    }
+
+    RealD error = std::sqrt(norm2(r)/norm2(phi));
+    std::cout << GridLogMessage << "ChronoForecast: |res|/|src| = " << error << std::endl;
+
+    return chi;
   };
+};
 
-  // 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;
-      };
-  };
-
-}
+NAMESPACE_END(Grid);
 
 #endif

Grid/algorithms/approx/JacobiPolynomial.h

@@ -0,0 +1,129 @@
+#ifndef GRID_JACOBIPOLYNOMIAL_H
+#define GRID_JACOBIPOLYNOMIAL_H
+
+#include <Grid/algorithms/LinearOperator.h>
+
+NAMESPACE_BEGIN(Grid);
+
+template<class Field>
+class JacobiPolynomial : public OperatorFunction<Field> {
+ private:
+  using OperatorFunction<Field>::operator();
+
+  int order;
+  RealD hi;
+  RealD lo;
+  RealD alpha;
+  RealD beta;
+
+ public:
+  void csv(std::ostream &out){
+    csv(out,lo,hi);
+  }
+  void csv(std::ostream &out,RealD llo,RealD hhi){
+    RealD diff = hhi-llo;
+    RealD delta = diff*1.0e-5;
+    for (RealD x=llo-delta; x<=hhi; x+=delta) {
+      RealD f = approx(x);
+      out<< x<<" "<<f <<std::endl;
+    }
+    return;
+  }
+
+  JacobiPolynomial(){};
+  JacobiPolynomial(RealD _lo,RealD _hi,int _order,RealD _alpha, RealD _beta)
+  {
+      lo=_lo;
+      hi=_hi;
+      alpha=_alpha;
+      beta=_beta;
+      order=_order;
+  };
+
+  RealD approx(RealD x) // Convenience for plotting the approximation                                                       
+  {
+    RealD Tn;
+    RealD Tnm;
+    RealD Tnp;
+
+    RealD y=( x-0.5*(hi+lo))/(0.5*(hi-lo));
+
+    RealD T0=1.0;
+    RealD T1=(alpha-beta)*0.5+(alpha+beta+2.0)*0.5*y;
+
+    Tn =T1;
+    Tnm=T0;
+    for(int n=2;n<=order;n++){
+      RealD cnp = 2.0*n*(n+alpha+beta)*(2.0*n-2.0+alpha+beta);
+      RealD cny = (2.0*n-2.0+alpha+beta)*(2.0*n-1.0+alpha+beta)*(2.0*n+alpha+beta);
+      RealD cn1 = (2.0*n+alpha+beta-1.0)*(alpha*alpha-beta*beta);
+      RealD cnm = - 2.0*(n+alpha-1.0)*(n+beta-1.0)*(2.0*n+alpha+beta);
+      Tnp= ( cny * y *Tn + cn1 * Tn + cnm * Tnm )/ cnp;
+      Tnm=Tn;
+      Tn =Tnp;
+    }
+    return Tnp;
+  };
+
+  // Implement the required interface                                                                                       
+  void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
+    GridBase *grid=in.Grid();
+
+    int vol=grid->gSites();
+
+    Field T0(grid);
+    Field T1(grid);
+    Field T2(grid);
+    Field y(grid);
+
+
+    Field *Tnm = &T0;
+    Field *Tn  = &T1;
+    Field *Tnp = &T2;
+
+    //    RealD T0=1.0;                                                                                                     
+    T0=in;
+
+    //    RealD y=( x-0.5*(hi+lo))/(0.5*(hi-lo));                                                                           
+    //           = x * 2/(hi-lo) - (hi+lo)/(hi-lo)                                                                          
+    Linop.HermOp(T0,y);
+    RealD xscale = 2.0/(hi-lo);
+    RealD mscale = -(hi+lo)/(hi-lo);
+    Linop.HermOp(T0,y);
+    y=y*xscale+in*mscale;
+
+    // RealD T1=(alpha-beta)*0.5+(alpha+beta+2.0)*0.5*y;
+    RealD halfAmB  = (alpha-beta)*0.5;
+    RealD halfApBp2= (alpha+beta+2.0)*0.5;
+    T1 = halfAmB * in + halfApBp2*y;
+
+    for(int n=2;n<=order;n++){
+
+      Linop.HermOp(*Tn,y);
+      y=xscale*y+mscale*(*Tn);
+
+      RealD cnp = 2.0*n*(n+alpha+beta)*(2.0*n-2.0+alpha+beta);
+      RealD cny = (2.0*n-2.0+alpha+beta)*(2.0*n-1.0+alpha+beta)*(2.0*n+alpha+beta);
+      RealD cn1 = (2.0*n+alpha+beta-1.0)*(alpha*alpha-beta*beta);
+      RealD cnm = - 2.0*(n+alpha-1.0)*(n+beta-1.0)*(2.0*n+alpha+beta);
+
+      //      Tnp= ( cny * y *Tn + cn1 * Tn + cnm * Tnm )/ cnp;                                                             
+      cny=cny/cnp;
+      cn1=cn1/cnp;
+      cn1=cn1/cnp;
+      cnm=cnm/cnp;
+
+      *Tnp=cny*y + cn1 *(*Tn) + cnm * (*Tnm);
+
+      // Cycle pointers to avoid copies                                                                                     
+      Field *swizzle = Tnm;
+      Tnm    =Tn;
+      Tn     =Tnp;
+      Tnp    =swizzle;
+    }
+    out=*Tnp;
+
+  }
+};
+NAMESPACE_END(Grid);
+#endif

Grid/algorithms/approx/MultiShiftFunction.cc

@@ -27,7 +27,8 @@ Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
     /*  END LEGAL */
 #include <Grid/GridCore.h>
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
+
 double MultiShiftFunction::approx(double x)
 {
   double a = norm;
@@ -53,4 +54,4 @@ void MultiShiftFunction::csv(std::ostream &out)
   }
   return;
 }
-}
+NAMESPACE_END(Grid);

Grid/algorithms/approx/MultiShiftFunction.h

@@ -29,7 +29,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #ifndef MULTI_SHIFT_FUNCTION
 #define MULTI_SHIFT_FUNCTION
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
 class MultiShiftFunction {
 public:
@@ -63,5 +63,5 @@ public:
   }
 
 };
-}
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/approx/Remez.cc

@@ -298,7 +298,7 @@ void AlgRemez::stpini(bigfloat *step) {
 // Search for error maxima and minima
 void AlgRemez::search(bigfloat *step) {
   bigfloat a, q, xm, ym, xn, yn, xx0, xx1;
-  int i, j, meq, emsign, ensign, steps;
+  int i, meq, emsign, ensign, steps;
 
   meq = neq + 1;
   bigfloat *yy = new bigfloat[meq];
@@ -306,7 +306,6 @@ void AlgRemez::search(bigfloat *step) {
   bigfloat eclose = 1.0e30;
   bigfloat farther = 0l;
 
-  j = 1;
   xx0 = apstrt;
 
   for (i = 0; i < meq; i++) {

Grid/algorithms/approx/RemezGeneral.cc

@@ -0,0 +1,473 @@
+#include<math.h>
+#include<stdio.h>
+#include<stdlib.h>
+#include<string>
+#include<iostream>
+#include<iomanip>
+#include<cassert>
+
+#include<Grid/algorithms/approx/RemezGeneral.h>
+
+
+// Constructor
+AlgRemezGeneral::AlgRemezGeneral(double lower, double upper, long precision,
+				 bigfloat (*f)(bigfloat x, void *data), void *data): f(f), 
+										     data(data), 
+										     prec(precision),
+										     apstrt(lower), apend(upper), apwidt(upper - lower),
+										     n(0), d(0), pow_n(0), pow_d(0)
+{
+  bigfloat::setDefaultPrecision(prec);
+
+  std::cout<<"Approximation bounds are ["<<apstrt<<","<<apend<<"]\n";
+  std::cout<<"Precision of arithmetic is "<<precision<<std::endl;
+}
+
+//Determine the properties of the numerator and denominator polynomials
+void AlgRemezGeneral::setupPolyProperties(int num_degree, int den_degree, PolyType num_type_in, PolyType den_type_in){
+  pow_n = num_degree;
+  pow_d = den_degree;
+
+  if(pow_n % 2 == 0 && num_type_in == PolyType::Odd) assert(0);
+  if(pow_n % 2 == 1 && num_type_in == PolyType::Even) assert(0);
+
+  if(pow_d % 2 == 0 && den_type_in == PolyType::Odd) assert(0);
+  if(pow_d % 2 == 1 && den_type_in == PolyType::Even) assert(0);
+
+  num_type = num_type_in;
+  den_type = den_type_in;
+
+  num_pows.resize(pow_n+1);
+  den_pows.resize(pow_d+1);
+
+  int n_in = 0;
+  bool odd = num_type == PolyType::Full || num_type == PolyType::Odd;
+  bool even = num_type == PolyType::Full || num_type == PolyType::Even;
+  for(int i=0;i<=pow_n;i++){
+    num_pows[i] = -1;
+    if(i % 2 == 0 && even) num_pows[i] = n_in++;
+    if(i % 2 == 1 && odd) num_pows[i] = n_in++;
+  }
+
+  std::cout << n_in << " terms in numerator" << std::endl;
+  --n_in; //power is 1 less than the number of terms, eg  pow=1   a x^1  + b x^0
+
+  int d_in = 0;
+  odd = den_type == PolyType::Full || den_type == PolyType::Odd;
+  even = den_type == PolyType::Full || den_type == PolyType::Even;
+  for(int i=0;i<=pow_d;i++){
+    den_pows[i] = -1;
+    if(i % 2 == 0 && even) den_pows[i] = d_in++;
+    if(i % 2 == 1 && odd) den_pows[i] = d_in++;
+  }
+
+  std::cout << d_in << " terms in denominator" << std::endl;
+  --d_in;
+
+  n = n_in;
+  d = d_in;
+}
+
+//Setup algorithm
+void AlgRemezGeneral::reinitializeAlgorithm(){
+  spread = 1.0e37;
+  iter = 0;
+
+  neq = n + d + 1; //not +2 because highest-power term in denominator is fixed to 1
+
+  param.resize(neq);
+  yy.resize(neq+1);
+
+  //Initialize linear equation temporaries
+  A.resize(neq*neq);
+  B.resize(neq);
+  IPS.resize(neq);
+
+  //Initialize maximum and minimum errors
+  xx.resize(neq+2);
+  mm.resize(neq+1);
+  initialGuess();
+
+  //Initialize search steps
+  step.resize(neq+1);
+  stpini();
+}
+
+double AlgRemezGeneral::generateApprox(const int num_degree, const int den_degree, 
+				       const PolyType num_type_in, const PolyType den_type_in, 
+				       const double _tolerance, const int report_freq){
+  //Setup the properties of the polynomial
+  setupPolyProperties(num_degree, den_degree, num_type_in, den_type_in);
+
+  //Setup the algorithm
+  reinitializeAlgorithm();
+
+  bigfloat tolerance = _tolerance;
+
+  //Iterate until convergance
+  while (spread > tolerance) { 
+    if (iter++ % report_freq==0)
+      std::cout<<"Iteration " <<iter-1<<" spread "<<(double)spread<<" delta "<<(double)delta << std::endl; 
+
+    equations();
+    if (delta < tolerance) {
+      std::cout<<"Iteration " << iter-1 << " delta too small (" << delta << "<" << tolerance << "), try increasing precision\n";
+      assert(0);
+    };    
+    assert( delta>= tolerance );
+
+    search();
+  }
+
+  int sign;
+  double error = (double)getErr(mm[0],&sign);
+  std::cout<<"Converged at "<<iter<<" iterations; error = "<<error<<std::endl;
+
+  // Return the maximum error in the approximation
+  return error;
+}
+
+
+// Initial values of maximal and minimal errors
+void AlgRemezGeneral::initialGuess(){
+  // Supply initial guesses for solution points
+  long ncheb = neq;			// Degree of Chebyshev error estimate
+
+  // Find ncheb+1 extrema of Chebyshev polynomial
+  bigfloat a = ncheb;
+  bigfloat r;
+
+  mm[0] = apstrt;
+  for (long i = 1; i < ncheb; i++) {
+    r = 0.5 * (1 - cos((M_PI * i)/(double) a));
+    //r *= sqrt_bf(r);
+    r = (exp((double)r)-1.0)/(exp(1.0)-1.0);
+    mm[i] = apstrt + r * apwidt;
+  }
+  mm[ncheb] = apend;
+
+  a = 2.0 * ncheb;
+  for (long i = 0; i <= ncheb; i++) {
+    r = 0.5 * (1 - cos(M_PI * (2*i+1)/(double) a));
+    //r *= sqrt_bf(r); // Squeeze to low end of interval
+    r = (exp((double)r)-1.0)/(exp(1.0)-1.0);
+    xx[i] = apstrt + r * apwidt;
+  }
+}
+
+// Initialise step sizes
+void AlgRemezGeneral::stpini(){
+  xx[neq+1] = apend;
+  delta = 0.25;
+  step[0] = xx[0] - apstrt;
+  for (int i = 1; i < neq; i++) step[i] = xx[i] - xx[i-1];
+  step[neq] = step[neq-1];
+}
+
+// Search for error maxima and minima
+void AlgRemezGeneral::search(){
+  bigfloat a, q, xm, ym, xn, yn, xx1;
+  int emsign, ensign, steps;
+
+  int meq = neq + 1;
+
+  bigfloat eclose = 1.0e30;
+  bigfloat farther = 0l;
+
+  bigfloat xx0 = apstrt;
+
+  for (int i = 0; i < meq; i++) {
+    steps = 0;
+    xx1 = xx[i]; // Next zero
+    if (i == meq-1) xx1 = apend;
+    xm = mm[i];
+    ym = getErr(xm,&emsign);
+    q = step[i];
+    xn = xm + q;
+    if (xn < xx0 || xn >= xx1) {	// Cannot skip over adjacent boundaries
+      q = -q;
+      xn = xm;
+      yn = ym;
+      ensign = emsign;
+    } else {
+      yn = getErr(xn,&ensign);
+      if (yn < ym) {
+	q = -q;
+	xn = xm;
+	yn = ym;
+	ensign = emsign;
+      }
+    }
+  
+    while(yn >= ym) {		// March until error becomes smaller.
+      if (++steps > 10)
+      	break;
+      
+      ym = yn;
+      xm = xn;
+      emsign = ensign;
+      a = xm + q;
+      if (a == xm || a <= xx0 || a >= xx1)
+	break;// Must not skip over the zeros either side.      
+
+      xn = a;
+      yn = getErr(xn,&ensign);
+    }
+
+    mm[i] = xm;			// Position of maximum
+    yy[i] = ym;			// Value of maximum
+
+    if (eclose > ym) eclose = ym;
+    if (farther < ym) farther = ym;
+
+    xx0 = xx1; // Walk to next zero.
+  } // end of search loop
+
+  q = (farther - eclose);	// Decrease step size if error spread increased
+
+  if (eclose != 0.0) q /= eclose; // Relative error spread
+
+  if (q >= spread)
+    delta *= 0.5; // Spread is increasing; decrease step size
+  
+  spread = q;
+
+  for (int i = 0; i < neq; i++) {
+    q = yy[i+1];
+    if (q != 0.0) q = yy[i] / q  - (bigfloat)1l;
+    else q = 0.0625;
+    if (q > (bigfloat)0.25) q = 0.25;
+    q *= mm[i+1] - mm[i];
+    step[i] = q * delta;
+  }
+  step[neq] = step[neq-1];
+  
+  for (int i = 0; i < neq; i++) {	// Insert new locations for the zeros.
+    xm = xx[i] - step[i];
+
+    if (xm <= apstrt)
+      continue;
+
+    if (xm >= apend)
+      continue;
+
+    if (xm <= mm[i])
+      xm = (bigfloat)0.5 * (mm[i] + xx[i]);    
+
+    if (xm >= mm[i+1])
+      xm = (bigfloat)0.5 * (mm[i+1] + xx[i]);
+    
+    xx[i] = xm;
+  }
+}
+
+// Solve the equations
+void AlgRemezGeneral::equations(){
+  bigfloat x, y, z;
+  bigfloat *aa;
+  
+  for (int i = 0; i < neq; i++) {	// set up the equations for solution by simq()
+    int ip = neq * i;		// offset to 1st element of this row of matrix
+    x = xx[i];			// the guess for this row
+    y = func(x);		// right-hand-side vector
+
+    z = (bigfloat)1l;
+    aa = A.data()+ip;
+    int t = 0;
+    for (int j = 0; j <= pow_n; j++) {
+      if(num_pows[j] != -1){ *aa++ = z; t++; }
+      z *= x;
+    }
+    assert(t == n+1);
+
+    z = (bigfloat)1l;
+    t = 0;
+    for (int j = 0; j < pow_d; j++) {
+      if(den_pows[j] != -1){ *aa++ = -y * z; t++; }
+      z *= x;
+    }
+    assert(t == d);
+
+    B[i] = y * z;		// Right hand side vector
+  }
+
+  // Solve the simultaneous linear equations.
+  if (simq()){
+    std::cout<<"simq failed\n";
+    exit(0);
+  }
+}
+
+
+// Evaluate the rational form P(x)/Q(x) using coefficients
+// from the solution vector param
+bigfloat AlgRemezGeneral::approx(const bigfloat x) const{
+  // Work backwards toward the constant term.
+  int c = n;
+  bigfloat yn = param[c--];		// Highest order numerator coefficient
+  for (int i = pow_n-1; i >= 0; i--) yn = x * yn  +  (num_pows[i] != -1 ? param[c--] : bigfloat(0l));  
+
+  c = n+d;
+  bigfloat yd = 1l; //Highest degree coefficient is 1.0
+  for (int i = pow_d-1; i >= 0; i--) yd = x * yd  +  (den_pows[i] != -1 ? param[c--] : bigfloat(0l)); 
+
+  return(yn/yd);
+}
+
+// Compute size and sign of the approximation error at x
+bigfloat AlgRemezGeneral::getErr(bigfloat x, int *sign) const{
+  bigfloat f = func(x);
+  bigfloat e = approx(x) - f;
+  if (f != 0) e /= f;
+  if (e < (bigfloat)0.0) {
+    *sign = -1;
+    e = -e;
+  }
+  else *sign = 1;
+  
+  return(e);
+}
+
+// Solve the system AX=B
+int AlgRemezGeneral::simq(){
+
+  int ip, ipj, ipk, ipn;
+  int idxpiv;
+  int kp, kp1, kpk, kpn;
+  int nip, nkp;
+  bigfloat em, q, rownrm, big, size, pivot, sum;
+  bigfloat *aa;
+  bigfloat *X = param.data();
+
+  int n = neq;
+  int nm1 = n - 1;
+  // Initialize IPS and X
+  
+  int ij = 0;
+  for (int i = 0; i < n; i++) {
+    IPS[i] = i;
+    rownrm = 0.0;
+    for(int j = 0; j < n; j++) {
+      q = abs_bf(A[ij]);
+      if(rownrm < q) rownrm = q;
+      ++ij;
+    }
+    if (rownrm == (bigfloat)0l) {
+      std::cout<<"simq rownrm=0\n";
+      return(1);
+    }
+    X[i] = (bigfloat)1.0 / rownrm;
+  }
+  
+  for (int k = 0; k < nm1; k++) {
+    big = 0.0;
+    idxpiv = 0;
+    
+    for (int i = k; i < n; i++) {
+      ip = IPS[i];
+      ipk = n*ip + k;
+      size = abs_bf(A[ipk]) * X[ip];
+      if (size > big) {
+	big = size;
+	idxpiv = i;
+      }
+    }
+    
+    if (big == (bigfloat)0l) {
+      std::cout<<"simq big=0\n";
+      return(2);
+    }
+    if (idxpiv != k) {
+      int j = IPS[k];
+      IPS[k] = IPS[idxpiv];
+      IPS[idxpiv] = j;
+    }
+    kp = IPS[k];
+    kpk = n*kp + k;
+    pivot = A[kpk];
+    kp1 = k+1;
+    for (int i = kp1; i < n; i++) {
+      ip = IPS[i];
+      ipk = n*ip + k;
+      em = -A[ipk] / pivot;
+      A[ipk] = -em;
+      nip = n*ip;
+      nkp = n*kp;
+      aa = A.data()+nkp+kp1;
+      for (int j = kp1; j < n; j++) {
+	ipj = nip + j;
+	A[ipj] = A[ipj] + em * *aa++;
+      }
+    }
+  }
+  kpn = n * IPS[n-1] + n - 1;	// last element of IPS[n] th row
+  if (A[kpn] == (bigfloat)0l) {
+    std::cout<<"simq A[kpn]=0\n";
+    return(3);
+  }
+
+  
+  ip = IPS[0];
+  X[0] = B[ip];
+  for (int i = 1; i < n; i++) {
+    ip = IPS[i];
+    ipj = n * ip;
+    sum = 0.0;
+    for (int j = 0; j < i; j++) {
+      sum += A[ipj] * X[j];
+      ++ipj;
+    }
+    X[i] = B[ip] - sum;
+  }
+  
+  ipn = n * IPS[n-1] + n - 1;
+  X[n-1] = X[n-1] / A[ipn];
+  
+  for (int iback = 1; iback < n; iback++) {
+    //i goes (n-1),...,1
+    int i = nm1 - iback;
+    ip = IPS[i];
+    nip = n*ip;
+    sum = 0.0;
+    aa = A.data()+nip+i+1;
+    for (int j= i + 1; j < n; j++) 
+      sum += *aa++ * X[j];
+    X[i] = (X[i] - sum) / A[nip+i];
+  }
+  
+  return(0);
+}
+
+void AlgRemezGeneral::csv(std::ostream & os) const{
+  os << "Numerator" << std::endl;
+  for(int i=0;i<=pow_n;i++){
+    os << getCoeffNum(i) << "*x^" << i;
+    if(i!=pow_n) os << " + ";
+  }
+  os << std::endl;
+
+  os << "Denominator" << std::endl;
+  for(int i=0;i<=pow_d;i++){
+    os << getCoeffDen(i) << "*x^" << i;
+    if(i!=pow_d) os << " + ";
+  }
+  os << std::endl;
+
+  //For a true minimax solution the errors should all be equal and the signs should oscillate +-+-+- etc
+  int sign;
+  os << "Errors at maxima: coordinate, error, (sign)" << std::endl;
+  for(int i=0;i<neq+1;i++){ 
+    os << mm[i] << " " << getErr(mm[i],&sign) << " (" << sign << ")" << std::endl;
+  }
+
+  os << "Scan over range:" << std::endl;
+  int npt = 60;
+  bigfloat dlt = (apend - apstrt)/bigfloat(npt-1);
+
+  for (bigfloat x=apstrt; x<=apend; x = x + dlt) {
+    double f = evaluateFunc(x);
+    double r = evaluateApprox(x);
+    os<< x<<","<<r<<","<<f<<","<<r-f<<std::endl;
+  }
+  return;
+}

Grid/algorithms/approx/RemezGeneral.h

@@ -0,0 +1,170 @@
+/*
+  C.Kelly Jan 2020 based on implementation by M. Clark May 2005
+
+  AlgRemezGeneral is an implementation of the Remez algorithm for approximating an arbitrary function by a rational polynomial 
+  It includes optional restriction to odd/even polynomials for the numerator and/or denominator
+*/
+
+#ifndef INCLUDED_ALG_REMEZ_GENERAL_H
+#define INCLUDED_ALG_REMEZ_GENERAL_H
+
+#include <stddef.h>
+#include <Grid/GridStd.h>
+
+#ifdef HAVE_LIBGMP
+#include "bigfloat.h"
+#else
+#include "bigfloat_double.h"
+#endif
+
+
+class AlgRemezGeneral{
+ public:
+  enum PolyType { Even, Odd, Full };
+
+ private:
+
+  // In GSL-style, pass the function as a function pointer. Any data required to evaluate the function is passed in as a void pointer
+  bigfloat (*f)(bigfloat x, void *data);
+  void *data;
+
+  // The approximation parameters
+  std::vector<bigfloat> param;
+  bigfloat norm;
+
+  // The number of non-zero terms in the numerator and denominator
+  int n, d;
+  // The numerator and denominator degree (i.e.  the largest power)
+  int pow_n, pow_d;
+  
+  // Specify if the numerator and/or denominator are odd/even polynomials
+  PolyType num_type;
+  PolyType den_type;
+  std::vector<int> num_pows; //contains the mapping, with -1 if not present
+  std::vector<int> den_pows;
+
+  // The bounds of the approximation
+  bigfloat apstrt, apwidt, apend;
+
+  // Variables used to calculate the approximation
+  int nd1, iter;
+  std::vector<bigfloat> xx;
+  std::vector<bigfloat> mm;
+  std::vector<bigfloat> step;
+
+  bigfloat delta, spread;
+  
+  // Variables used in search
+  std::vector<bigfloat> yy;
+
+  // Variables used in solving linear equations
+  std::vector<bigfloat> A;
+  std::vector<bigfloat> B;
+  std::vector<int> IPS;
+
+  // The number of equations we must solve at each iteration (n+d+1)
+  int neq;
+
+  // The precision of the GNU MP library
+  long prec;
+
+  // Initialize member variables associated with the polynomial's properties
+  void setupPolyProperties(int num_degree, int den_degree, PolyType num_type_in, PolyType den_type_in);
+
+  // Initial values of maximal and minmal errors
+  void initialGuess();
+
+  // Initialise step sizes
+  void stpini();
+
+  // Initialize the algorithm
+  void reinitializeAlgorithm();
+
+  // Solve the equations
+  void equations();
+
+  // Search for error maxima and minima
+  void search(); 
+
+  // Calculate function required for the approximation
+  inline bigfloat func(bigfloat x) const{
+    return f(x, data);
+  }
+
+  // Compute size and sign of the approximation error at x
+  bigfloat getErr(bigfloat x, int *sign) const;
+
+  // Solve the system AX=B   where X = param
+  int simq();
+
+  // Evaluate the rational form P(x)/Q(x) using coefficients from the solution vector param
+  bigfloat approx(bigfloat x) const;
+
+ public:
+  
+  AlgRemezGeneral(double lower, double upper, long prec,
+		  bigfloat (*f)(bigfloat x, void *data), void *data);
+
+  inline int getDegree(void) const{ 
+    assert(n==d);
+    return n;
+  }
+  // Reset the bounds of the approximation
+  inline void setBounds(double lower, double upper) {
+    apstrt = lower;
+    apend = upper;
+    apwidt = apend - apstrt;
+  }
+
+  // Get the bounds of the approximation
+  inline void getBounds(double &lower, double &upper) const{ 
+    lower=(double)apstrt;
+    upper=(double)apend;
+  }
+
+  // Run the algorithm to generate the rational approximation
+  double generateApprox(int num_degree, int den_degree, 
+			PolyType num_type, PolyType den_type,
+			const double tolerance = 1e-15, const int report_freq = 1000);
+  
+  inline double generateApprox(int num_degree, int den_degree, 
+			       const double tolerance = 1e-15, const int report_freq = 1000){
+    return generateApprox(num_degree, den_degree, Full, Full, tolerance, report_freq);
+  }
+  
+  // Evaluate the rational form P(x)/Q(x) using coefficients from the
+  // solution vector param
+  inline double evaluateApprox(double x) const{
+    return (double)approx((bigfloat)x);
+  }
+
+  // Evaluate the rational form Q(x)/P(x) using coefficients from the solution vector param
+  inline double evaluateInverseApprox(double x) const{
+    return 1.0/(double)approx((bigfloat)x);
+  }  
+
+  // Calculate function required for the approximation
+  inline double evaluateFunc(double x) const{
+    return (double)func((bigfloat)x);
+  }
+
+  // Calculate inverse function required for the approximation
+  inline double evaluateInverseFunc(double x) const{
+    return 1.0/(double)func((bigfloat)x);
+  }
+
+  // Dump csv of function, approx and error
+  void csv(std::ostream &os = std::cout) const;
+
+  // Get the coefficient of the term x^i in the numerator
+  inline double getCoeffNum(const int i) const{    
+    return num_pows[i] == -1 ? 0. : double(param[num_pows[i]]);
+  }
+  // Get the coefficient of the term x^i in the denominator
+  inline double getCoeffDen(const int i) const{ 
+    if(i == pow_d) return 1.0;
+    else return den_pows[i] == -1 ? 0. : double(param[den_pows[i]+n+1]); 
+  }
+};
+
+#endif

Grid/algorithms/approx/ZMobius.cc

@@ -0,0 +1,183 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/approx/ZMobius.cc
+
+    Copyright (C) 2015
+
+Author: Christopher Kelly <ckelly@phys.columbia.edu>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#include <Grid/algorithms/approx/ZMobius.h>
+#include <Grid/algorithms/approx/RemezGeneral.h>
+
+NAMESPACE_BEGIN(Grid);
+NAMESPACE_BEGIN(Approx);
+
+//Compute the tanh approximation
+inline double epsilonMobius(const double x, const std::vector<ComplexD> &w){
+  int Ls = w.size();
+
+  ComplexD fxp = 1., fmp = 1.;
+  for(int i=0;i<Ls;i++){
+    fxp = fxp * ( w[i] + x );
+    fmp = fmp * ( w[i] - x );
+  }
+  return ((fxp - fmp)/(fxp + fmp)).real();
+}
+inline double epsilonMobius(const double x, const std::vector<RealD> &w){
+  int Ls = w.size();
+
+  double fxp = 1., fmp = 1.;
+  for(int i=0;i<Ls;i++){
+    fxp = fxp * ( w[i] + x );
+    fmp = fmp * ( w[i] - x );
+  }
+  return (fxp - fmp)/(fxp + fmp);
+}
+
+
+
+//Compute the tanh approximation in a form suitable for the Remez
+bigfloat epsilonMobius(bigfloat x, void* data){
+  const std::vector<RealD> &omega = *( (std::vector<RealD> const*)data );
+  bigfloat fxp(1.0);
+  bigfloat fmp(1.0);
+
+  for(int i=0;i<omega.size();i++){
+    fxp = fxp * ( bigfloat(omega[i]) + x);
+    fmp = fmp * ( bigfloat(omega[i]) - x);
+  }
+  return (fxp - fmp)/(fxp + fmp);
+}
+
+//Compute the Zmobius Omega parameters suitable for eigenvalue range   -lambda_bound <= lambda <= lambda_bound
+//Note omega_i = 1/(b_i + c_i)   where b_i and c_i are the Mobius parameters
+void computeZmobiusOmega(std::vector<ComplexD> &omega_out, const int Ls_out,
+			 const std::vector<RealD> &omega_in, const int Ls_in,
+			 const RealD lambda_bound){
+  assert(omega_in.size() == Ls_in);
+  omega_out.resize(Ls_out);
+
+  //Use the Remez algorithm to generate the appropriate rational polynomial
+  //For odd polynomial, to satisfy Haar condition must take either positive or negative half of range (cf https://arxiv.org/pdf/0803.0439.pdf page 6)  
+  AlgRemezGeneral remez(0, lambda_bound, 64, &epsilonMobius, (void*)&omega_in); 
+  remez.generateApprox(Ls_out-1, Ls_out,AlgRemezGeneral::Odd, AlgRemezGeneral::Even, 1e-15, 100);
+  remez.csv(std::cout);
+
+  //The rational approximation has the form  [ f(x) - f(-x) ] / [ f(x) + f(-x) ]  where  f(x) = \Prod_{i=0}^{L_s-1} ( \omega_i + x )
+  //cf https://academiccommons.columbia.edu/doi/10.7916/D8T72HD7  pg 102
+  //omega_i are therefore the negative of the complex roots of f(x)
+
+  //We can find the roots by recognizing that the eigenvalues of a matrix A are the roots of the characteristic polynomial
+  // \rho(\lambda) = det( A - \lambda I )    where I is the unit matrix
+  //The matrix whose characteristic polynomial is an arbitrary monic polynomial a0 + a1 x + a2 x^2 + ... x^n   is the companion matrix 
+  // A = | 0    1   0    0 0 .... 0 |
+  //     | 0    0   1    0 0 .... 0 |
+  //     | :    :   :    : :      : |
+  //     | 0    0   0    0 0      1
+  //     | -a0 -a1 -a2  ...  ... -an|
+
+
+  //Note the Remez defines the largest power to have unit coefficient
+  std::vector<RealD> coeffs(Ls_out+1);
+  for(int i=0;i<Ls_out+1;i+=2) coeffs[i] = coeffs[i] = remez.getCoeffDen(i); //even powers
+  for(int i=1;i<Ls_out+1;i+=2) coeffs[i] = coeffs[i] = remez.getCoeffNum(i); //odd powers
+
+  std::vector<std::complex<RealD> > roots(Ls_out);
+
+  //Form the companion matrix
+  Eigen::MatrixXd compn(Ls_out,Ls_out);
+  for(int i=0;i<Ls_out-1;i++) compn(i,0) = 0.;
+  compn(Ls_out - 1, 0) = -coeffs[0];
+  
+  for(int j=1;j<Ls_out;j++){
+    for(int i=0;i<Ls_out-1;i++) compn(i,j) = i == j-1 ? 1. : 0.;
+    compn(Ls_out - 1, j) = -coeffs[j];
+  }
+
+  //Eigensolve
+  Eigen::EigenSolver<Eigen::MatrixXd> slv(compn, false);
+
+  const auto & ev = slv.eigenvalues();
+  for(int i=0;i<Ls_out;i++)
+    omega_out[i] = -ev(i);
+
+  //Sort ascending (smallest at start of vector!)
+  std::sort(omega_out.begin(), omega_out.end(), 
+	    [&](const ComplexD &a, const ComplexD &b){ return a.real() < b.real() || (a.real() == b.real() && a.imag() < b.imag()); });
+
+  //McGlynn thesis pg 122 suggest improved iteration counts if magnitude of omega diminishes towards the center of the 5th dimension
+  std::vector<ComplexD> omega_tmp = omega_out;
+  int s_low=0, s_high=Ls_out-1, ss=0;
+  for(int s_from = Ls_out-1; s_from >= 0; s_from--){ //loop from largest omega
+    int s_to;
+    if(ss % 2 == 0){
+      s_to = s_low++;
+    }else{
+      s_to = s_high--;
+    }
+    omega_out[s_to] = omega_tmp[s_from];
+    ++ss;
+  }
+  
+  std::cout << "Resulting omega_i:" << std::endl;  
+  for(int i=0;i<Ls_out;i++)
+    std::cout << omega_out[i] << std::endl;
+
+  std::cout << "Test result matches the approximate polynomial found by the Remez" << std::endl;
+  std::cout << "<x> <remez approx> <poly approx> <diff poly approx remez approx> <exact> <diff poly approx exact>\n";
+  
+  int npt = 60;
+  double dlt = lambda_bound/double(npt-1);
+
+  for (int i =0; i<npt; i++){
+    double x = i*dlt;
+    double r = remez.evaluateApprox(x);
+    double p = epsilonMobius(x, omega_out);
+    double e = epsilonMobius(x, omega_in);
+
+    std::cout << x<< " " << r << " " << p <<" " <<r-p << " " << e << " " << e-p << std::endl;
+  }
+
+}
+  
+//mobius_param = b+c   with b-c=1
+void computeZmobiusOmega(std::vector<ComplexD> &omega_out, const int Ls_out, const RealD mobius_param, const int Ls_in, const RealD lambda_bound){
+  std::vector<RealD> omega_in(Ls_in, 1./mobius_param);
+  computeZmobiusOmega(omega_out, Ls_out, omega_in, Ls_in, lambda_bound);
+}
+
+//ZMobius class takes  gamma_i = (b+c) omega_i as its input, where b, c are factored out
+void computeZmobiusGamma(std::vector<ComplexD> &gamma_out, 
+			 const RealD mobius_param_out, const int Ls_out, 
+			 const RealD mobius_param_in, const int Ls_in,
+			 const RealD lambda_bound){
+  computeZmobiusOmega(gamma_out, Ls_out, mobius_param_in, Ls_in, lambda_bound);
+  for(int i=0;i<Ls_out;i++) gamma_out[i] = gamma_out[i] * mobius_param_out;
+}
+//Assumes mobius_param_out == mobius_param_in
+void computeZmobiusGamma(std::vector<ComplexD> &gamma_out, const int Ls_out, const RealD mobius_param, const int Ls_in, const RealD lambda_bound){
+  computeZmobiusGamma(gamma_out, mobius_param, Ls_out, mobius_param, Ls_in, lambda_bound);
+}
+
+NAMESPACE_END(Approx);
+NAMESPACE_END(Grid);

Grid/algorithms/approx/ZMobius.h

@@ -0,0 +1,57 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/approx/ZMobius.h
+
+    Copyright (C) 2015
+
+Author: Christopher Kelly <ckelly@phys.columbia.edu>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_ZMOBIUS_APPROX_H
+#define GRID_ZMOBIUS_APPROX_H
+
+#include <Grid/GridCore.h>
+
+NAMESPACE_BEGIN(Grid);
+NAMESPACE_BEGIN(Approx);
+
+//Compute the Zmobius Omega parameters suitable for eigenvalue range   -lambda_bound <= lambda <= lambda_bound
+//Note omega_i = 1/(b_i + c_i)   where b_i and c_i are the Mobius parameters
+void computeZmobiusOmega(std::vector<ComplexD> &omega_out, const int Ls_out,
+			 const std::vector<RealD> &omega_in, const int Ls_in,
+			 const RealD lambda_bound);
+  
+//mobius_param = b+c   with b-c=1
+void computeZmobiusOmega(std::vector<ComplexD> &omega_out, const int Ls_out, const RealD mobius_param, const int Ls_in, const RealD lambda_bound);
+
+//ZMobius class takes  gamma_i = (b+c) omega_i as its input, where b, c are factored out
+void computeZmobiusGamma(std::vector<ComplexD> &gamma_out, 
+			 const RealD mobius_param_out, const int Ls_out, 
+			 const RealD mobius_param_in, const int Ls_in,
+			 const RealD lambda_bound);
+
+//Assumes mobius_param_out == mobius_param_in
+void computeZmobiusGamma(std::vector<ComplexD> &gamma_out, const int Ls_out, const RealD mobius_param, const int Ls_in, const RealD lambda_bound);
+
+NAMESPACE_END(Approx);
+NAMESPACE_END(Grid);
+
+#endif

Grid/algorithms/approx/Zolotarev.cc

@@ -58,8 +58,8 @@
 
 /* Compute the partial fraction expansion coefficients (alpha) from the
  * factored form */
-namespace Grid {
-namespace Approx {
+NAMESPACE_BEGIN(Grid);
+NAMESPACE_BEGIN(Approx);
 
 static void construct_partfrac(izd *z) {
   int dn = z -> dn, dd = z -> dd, type = z -> type;
@@ -516,7 +516,9 @@ zolotarev_data* higham(PRECISION epsilon, int n) {
   free(d);
   return zd;
 }
-}}
+
+NAMESPACE_END(Approx);
+NAMESPACE_END(Grid);
 
 #ifdef TEST
 
@@ -585,6 +587,7 @@ static PRECISION zolotarev_cayley_eval(PRECISION x, zolotarev_data* rdata) {
   return (ONE - T) / (ONE + T);
 }
 
+
 /* Test program. Apart from printing out the parameters for R(x) it produces
  * the following data files for plotting (unless NPLOT is defined):
  *
@@ -723,5 +726,5 @@ int main(int argc, char** argv) {
   return EXIT_SUCCESS;
 }
 
-
 #endif /* TEST */
+

Grid/algorithms/approx/Zolotarev.h

@@ -1,13 +1,13 @@
 /* -*- Mode: C; comment-column: 22; fill-column: 79; -*- */
 
 #ifdef __cplusplus
-namespace Grid {
-namespace Approx {
+#include <Grid/Namespace.h>
+NAMESPACE_BEGIN(Grid);
+NAMESPACE_BEGIN(Approx);
 #endif
 
 #define HVERSION Header Time-stamp: <14-OCT-2004 09:26:51.00 adk@MISSCONTRARY>
 
-
 #ifndef ZOLOTAREV_INTERNAL
 #ifndef PRECISION
 #define PRECISION double
@@ -83,5 +83,6 @@ void zolotarev_free(zolotarev_data *zdata);
 #endif
 
 #ifdef __cplusplus
-}}
+NAMESPACE_END(Approx);
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/approx/bigfloat.h

@@ -10,10 +10,12 @@
 #ifndef INCLUDED_BIGFLOAT_H
 #define INCLUDED_BIGFLOAT_H
 
-
+#define __GMP_WITHIN_CONFIGURE
 #include <gmp.h>
 #include <mpf2mpfr.h>
 #include <mpfr.h>
+#undef  __GMP_WITHIN_CONFIGURE
+
 class bigfloat {
 
 private:

Grid/algorithms/approx/bigfloat_double.h

@@ -25,6 +25,10 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
+
+#ifndef INCLUDED_BIGFLOAT_DOUBLE_H
+#define INCLUDED_BIGFLOAT_DOUBLE_H
+
 #include <math.h>
 
 typedef double mfloat; 
@@ -186,4 +190,6 @@ public:
   //  friend bigfloat& random(void);
 };
 
+#endif
+
 

Grid/algorithms/iterative/AdefGeneric.h

@@ -90,8 +90,8 @@ class TwoLevelFlexiblePcg : public LinearFunction<Field>
   void operator() (const Field &src, Field &psi){
   void operator() (const Field &src, Field &psi){
 
-    psi.checkerboard = src.checkerboard;
-    grid             = src._grid;
+    psi.Checkerboard() = src.Checkerboard();
+    grid             = src.Grid();
 
     RealD f;
     RealD rtzp,rtz,a,d,b;

Grid/algorithms/iterative/BiCGSTAB.h

@@ -0,0 +1,234 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/BiCGSTAB.h
+
+Copyright (C) 2015
+
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+Author: juettner <juettner@soton.ac.uk>
+Author: David Murphy <djmurphy@mit.edu>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef GRID_BICGSTAB_H
+#define GRID_BICGSTAB_H
+
+NAMESPACE_BEGIN(Grid);
+
+/////////////////////////////////////////////////////////////
+// Base classes for iterative processes based on operators
+// single input vec, single output vec.
+/////////////////////////////////////////////////////////////
+
+template <class Field>
+class BiCGSTAB : public OperatorFunction<Field> 
+{
+  public:
+    using OperatorFunction<Field>::operator();
+    
+    bool ErrorOnNoConverge;  // throw an assert when the CG fails to converge.
+                             // Defaults true.
+    RealD Tolerance;
+    Integer MaxIterations;
+    Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+  
+    BiCGSTAB(RealD tol, Integer maxit, bool err_on_no_conv = true) : 
+      Tolerance(tol), MaxIterations(maxit), ErrorOnNoConverge(err_on_no_conv){};
+
+    void operator()(LinearOperatorBase<Field>& Linop, const Field& src, Field& psi) 
+    {
+      psi.Checkerboard() = src.Checkerboard();
+      conformable(psi, src);
+
+      RealD cp(0), rho(1), rho_prev(0), alpha(1), beta(0), omega(1);
+      RealD a(0), bo(0), b(0), ssq(0);
+
+      Field p(src);
+      Field r(src);
+      Field rhat(src);
+      Field v(src);
+      Field s(src);
+      Field t(src);
+      Field h(src);
+
+      v = Zero();
+      p = Zero();
+
+      // Initial residual computation & set up
+      RealD guess = norm2(psi);
+      assert(std::isnan(guess) == 0);
+    
+      Linop.Op(psi, v);
+      b = norm2(v);
+
+      r = src - v;
+      rhat = r;
+      a = norm2(r);
+      ssq = norm2(src);
+
+      std::cout << GridLogIterative << std::setprecision(8) << "BiCGSTAB: guess " << guess << std::endl;
+      std::cout << GridLogIterative << std::setprecision(8) << "BiCGSTAB:   src " << ssq << std::endl;
+      std::cout << GridLogIterative << std::setprecision(8) << "BiCGSTAB:    mp " << b << std::endl;
+      std::cout << GridLogIterative << std::setprecision(8) << "BiCGSTAB:     r " << a << std::endl;
+
+      RealD rsq = Tolerance * Tolerance * ssq;
+
+      // Check if guess is really REALLY good :)
+      if(a <= rsq){ return; }
+
+      std::cout << GridLogIterative << std::setprecision(8) << "BiCGSTAB: k=0 residual " << a << " target " << rsq << std::endl;
+
+      GridStopWatch LinalgTimer;
+      GridStopWatch InnerTimer;
+      GridStopWatch AxpyNormTimer;
+      GridStopWatch LinearCombTimer;
+      GridStopWatch MatrixTimer;
+      GridStopWatch SolverTimer;
+
+      SolverTimer.Start();
+      int k;
+      for (k = 1; k <= MaxIterations; k++) 
+      {
+        rho_prev = rho;
+
+        LinalgTimer.Start();
+        InnerTimer.Start();
+        ComplexD Crho  = innerProduct(rhat,r);
+        InnerTimer.Stop();
+        rho = Crho.real();
+
+        beta = (rho / rho_prev) * (alpha / omega);
+
+        LinearCombTimer.Start();
+        bo = beta * omega;
+	{
+	  autoView( p_v , p, AcceleratorWrite);
+	  autoView( r_v , r, AcceleratorRead);
+	  autoView( v_v , v, AcceleratorRead);
+	  accelerator_for(ss, p_v.size(), Field::vector_object::Nsimd(),{
+	      coalescedWrite(p_v[ss], beta*p_v(ss) - bo*v_v(ss) + r_v(ss));
+	    });
+	}
+        LinearCombTimer.Stop();
+        LinalgTimer.Stop();
+
+        MatrixTimer.Start();
+        Linop.Op(p,v);
+        MatrixTimer.Stop();
+
+        LinalgTimer.Start();
+        InnerTimer.Start();
+        ComplexD Calpha = innerProduct(rhat,v);
+        InnerTimer.Stop();
+        alpha = rho / Calpha.real();
+
+        LinearCombTimer.Start();
+	{
+	  autoView( p_v , p, AcceleratorRead);
+	  autoView( r_v , r, AcceleratorRead);
+	  autoView( v_v , v, AcceleratorRead);
+	  autoView( psi_v,psi, AcceleratorRead);
+	  autoView( h_v  ,  h, AcceleratorWrite);
+	  autoView( s_v  ,  s, AcceleratorWrite);
+	  accelerator_for(ss, h_v.size(), Field::vector_object::Nsimd(),{
+	      coalescedWrite(h_v[ss], alpha*p_v(ss) + psi_v(ss));
+	    });
+	  accelerator_for(ss, s_v.size(), Field::vector_object::Nsimd(),{
+	      coalescedWrite(s_v[ss], -alpha*v_v(ss) + r_v(ss));
+ 	  });
+        }
+        LinearCombTimer.Stop();
+        LinalgTimer.Stop();
+
+        MatrixTimer.Start();
+        Linop.Op(s,t);
+        MatrixTimer.Stop();
+
+        LinalgTimer.Start();
+        InnerTimer.Start();
+        ComplexD Comega = innerProduct(t,s);
+        InnerTimer.Stop();
+        omega = Comega.real() / norm2(t);
+
+        LinearCombTimer.Start();
+	{
+	  autoView( psi_v,psi, AcceleratorWrite);
+	  autoView( r_v , r, AcceleratorWrite);
+	  autoView( h_v , h, AcceleratorRead);
+	  autoView( s_v , s, AcceleratorRead);
+	  autoView( t_v , t, AcceleratorRead);
+	  accelerator_for(ss, psi_v.size(), Field::vector_object::Nsimd(),{
+	      coalescedWrite(psi_v[ss], h_v(ss) + omega * s_v(ss));
+	      coalescedWrite(r_v[ss], -omega * t_v(ss) + s_v(ss));
+	    });
+	}
+        LinearCombTimer.Stop();
+	
+        cp = norm2(r);
+        LinalgTimer.Stop();
+
+        std::cout << GridLogIterative << "BiCGSTAB: Iteration " << k << " residual " << sqrt(cp/ssq) << " target " << Tolerance << std::endl;
+
+        // Stopping condition
+        if(cp <= rsq) 
+        {
+          SolverTimer.Stop();
+          Linop.Op(psi, v);
+          p = v - src;
+
+          RealD srcnorm = sqrt(norm2(src));
+          RealD resnorm = sqrt(norm2(p));
+          RealD true_residual = resnorm / srcnorm;
+
+          std::cout << GridLogMessage << "BiCGSTAB Converged on iteration " << k << std::endl;
+          std::cout << GridLogMessage << "\tComputed residual " << sqrt(cp/ssq) << std::endl;
+          std::cout << GridLogMessage << "\tTrue residual " << true_residual << std::endl;
+          std::cout << GridLogMessage << "\tTarget " << Tolerance << std::endl;
+
+          std::cout << GridLogMessage << "Time breakdown " << std::endl;
+          std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed() << std::endl;
+          std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed() << std::endl;
+          std::cout << GridLogMessage << "\tLinalg     " << LinalgTimer.Elapsed() << std::endl;
+          std::cout << GridLogMessage << "\tInner      " << InnerTimer.Elapsed() << std::endl;
+          std::cout << GridLogMessage << "\tAxpyNorm   " << AxpyNormTimer.Elapsed() << std::endl;
+          std::cout << GridLogMessage << "\tLinearComb " << LinearCombTimer.Elapsed() << std::endl;
+
+          if(ErrorOnNoConverge){ assert(true_residual / Tolerance < 10000.0); }
+
+          IterationsToComplete = k;	
+
+          return;
+        }
+      }
+      
+      std::cout << GridLogMessage << "BiCGSTAB did NOT converge" << std::endl;
+
+      if(ErrorOnNoConverge){ assert(0); }
+      IterationsToComplete = k;
+    }
+};
+
+NAMESPACE_END(Grid);
+
+#endif

Grid/algorithms/iterative/BiCGSTABMixedPrec.h

@@ -0,0 +1,159 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: ./lib/algorithms/iterative/BiCGSTABMixedPrec.h
+
+Copyright (C) 2015
+
+Author: Christopher Kelly <ckelly@phys.columbia.edu>
+Author: David Murphy <djmurphy@mit.edu>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#ifndef GRID_BICGSTAB_MIXED_PREC_H
+#define GRID_BICGSTAB_MIXED_PREC_H
+
+NAMESPACE_BEGIN(Grid);
+
+// Mixed precision restarted defect correction BiCGSTAB
+template<class FieldD, class FieldF, typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0, typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
+class MixedPrecisionBiCGSTAB : public LinearFunction<FieldD> 
+{
+  public:
+    using LinearFunction<FieldD>::operator();
+    RealD   Tolerance;
+    RealD   InnerTolerance; // Initial tolerance for inner CG. Defaults to Tolerance but can be changed
+    Integer MaxInnerIterations;
+    Integer MaxOuterIterations;
+    GridBase* SinglePrecGrid; // Grid for single-precision fields
+    RealD OuterLoopNormMult; // Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
+    LinearOperatorBase<FieldF> &Linop_f;
+    LinearOperatorBase<FieldD> &Linop_d;
+
+    Integer TotalInnerIterations; //Number of inner CG iterations
+    Integer TotalOuterIterations; //Number of restarts
+    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
+
+    //Option to speed up *inner single precision* solves using a LinearFunction that produces a guess
+    LinearFunction<FieldF> *guesser;
+    
+    MixedPrecisionBiCGSTAB(RealD tol, Integer maxinnerit, Integer maxouterit, GridBase* _sp_grid, 
+        LinearOperatorBase<FieldF>& _Linop_f, LinearOperatorBase<FieldD>& _Linop_d) : 
+      Linop_f(_Linop_f), Linop_d(_Linop_d), Tolerance(tol), InnerTolerance(tol), MaxInnerIterations(maxinnerit), 
+      MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid), OuterLoopNormMult(100.), guesser(NULL) {};
+
+    void useGuesser(LinearFunction<FieldF>& g){
+      guesser = &g;
+    }
+  
+    void operator() (const FieldD& src_d_in, FieldD& sol_d)
+    {
+      TotalInnerIterations = 0;
+    
+      GridStopWatch TotalTimer;
+      TotalTimer.Start();
+      
+      int cb = src_d_in.Checkerboard();
+      sol_d.Checkerboard() = cb;
+      
+      RealD src_norm = norm2(src_d_in);
+      RealD stop = src_norm * Tolerance*Tolerance;
+
+      GridBase* DoublePrecGrid = src_d_in.Grid();
+      FieldD tmp_d(DoublePrecGrid);
+      tmp_d.Checkerboard() = cb;
+      
+      FieldD tmp2_d(DoublePrecGrid);
+      tmp2_d.Checkerboard() = cb;
+      
+      FieldD src_d(DoublePrecGrid);
+      src_d = src_d_in; //source for next inner iteration, computed from residual during operation
+      
+      RealD inner_tol = InnerTolerance;
+      
+      FieldF src_f(SinglePrecGrid);
+      src_f.Checkerboard() = cb;
+      
+      FieldF sol_f(SinglePrecGrid);
+      sol_f.Checkerboard() = cb;
+      
+      BiCGSTAB<FieldF> CG_f(inner_tol, MaxInnerIterations);
+      CG_f.ErrorOnNoConverge = false;
+
+      GridStopWatch InnerCGtimer;
+
+      GridStopWatch PrecChangeTimer;
+      
+      Integer &outer_iter = TotalOuterIterations; //so it will be equal to the final iteration count
+        
+      for(outer_iter = 0; outer_iter < MaxOuterIterations; outer_iter++)
+      {
+        // Compute double precision rsd and also new RHS vector.
+        Linop_d.Op(sol_d, tmp_d);
+        RealD norm = axpy_norm(src_d, -1., tmp_d, src_d_in); //src_d is residual vector
+        
+        std::cout << GridLogMessage << "MixedPrecisionBiCGSTAB: Outer iteration " << outer_iter << " residual " << norm << " target " << stop << std::endl;
+
+        if(norm < OuterLoopNormMult * stop){
+          std::cout << GridLogMessage << "MixedPrecisionBiCGSTAB: Outer iteration converged on iteration " << outer_iter << std::endl;
+          break;
+        }
+        while(norm * inner_tol * inner_tol < stop){ inner_tol *= 2; } // inner_tol = sqrt(stop/norm) ??
+
+        PrecChangeTimer.Start();
+        precisionChange(src_f, src_d);
+        PrecChangeTimer.Stop();
+        
+        sol_f = Zero();
+
+        //Optionally improve inner solver guess (eg using known eigenvectors)
+        if(guesser != NULL){ (*guesser)(src_f, sol_f); }
+
+        //Inner CG
+        CG_f.Tolerance = inner_tol;
+        InnerCGtimer.Start();
+        CG_f(Linop_f, src_f, sol_f);
+        InnerCGtimer.Stop();
+        TotalInnerIterations += CG_f.IterationsToComplete;
+        
+        //Convert sol back to double and add to double prec solution
+        PrecChangeTimer.Start();
+        precisionChange(tmp_d, sol_f);
+        PrecChangeTimer.Stop();
+        
+        axpy(sol_d, 1.0, tmp_d, sol_d);
+      }
+      
+      //Final trial CG
+      std::cout << GridLogMessage << "MixedPrecisionBiCGSTAB: Starting final patch-up double-precision solve" << std::endl;
+      
+      BiCGSTAB<FieldD> CG_d(Tolerance, MaxInnerIterations);
+      CG_d(Linop_d, src_d_in, sol_d);
+      TotalFinalStepIterations = CG_d.IterationsToComplete;
+
+      TotalTimer.Stop();
+      std::cout << GridLogMessage << "MixedPrecisionBiCGSTAB: Inner CG iterations " << TotalInnerIterations << " Restarts " << TotalOuterIterations << " Final CG iterations " << TotalFinalStepIterations << std::endl;
+      std::cout << GridLogMessage << "MixedPrecisionBiCGSTAB: Total time " << TotalTimer.Elapsed() << " Precision change " << PrecChangeTimer.Elapsed() << " Inner CG total " << InnerCGtimer.Elapsed() << std::endl;
+  }
+};
+
+NAMESPACE_END(Grid);
+
+#endif

Grid/algorithms/iterative/BlockConjugateGradient.h

@@ -27,11 +27,9 @@ 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
+#pragma once
 
-
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
 enum BlockCGtype { BlockCG, BlockCGrQ, CGmultiRHS, BlockCGVec, BlockCGrQVec };
 
@@ -54,6 +52,7 @@ class BlockConjugateGradient : public OperatorFunction<Field> {
   Integer MaxIterations;
   Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
   Integer PrintInterval; //GridLogMessages or Iterative
+  RealD TrueResidual;
   
   BlockConjugateGradient(BlockCGtype cgtype,int _Orthog,RealD tol, Integer maxit, bool err_on_no_conv = true)
     : Tolerance(tol), CGtype(cgtype),   blockDim(_Orthog),  MaxIterations(maxit), ErrorOnNoConverge(err_on_no_conv),PrintInterval(100)
@@ -154,12 +153,12 @@ virtual void operator()(LinearOperatorBase<Field> &Linop, const std::vector<Fiel
 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];
+  Nblock = B.Grid()->_fdimensions[Orthog];
 /* FAKE */
   Nblock=8;
   std::cout<<GridLogMessage<<" Block Conjugate Gradient : Orthog "<<Orthog<<" Nblock "<<Nblock<<std::endl;
 
-  X.checkerboard = B.checkerboard;
+  X.Checkerboard() = B.Checkerboard();
   conformable(X, B);
 
   Field tmp(B);
@@ -308,7 +307,8 @@ void BlockCGrQsolve(LinearOperatorBase<Field> &Linop, const Field &B, Field &X)
 
       Linop.HermOp(X, AD);
       AD = AD-B;
-      std::cout << GridLogMessage <<"\t True residual is " << std::sqrt(norm2(AD)/norm2(B)) <<std::endl;
+      TrueResidual = std::sqrt(norm2(AD)/norm2(B));
+      std::cout << GridLogMessage <<"\tTrue residual is " << TrueResidual <<std::endl;
 
       std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
       std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
@@ -334,11 +334,11 @@ void BlockCGrQsolve(LinearOperatorBase<Field> &Linop, const Field &B, Field &X)
 void CGmultiRHSsolve(LinearOperatorBase<Field> &Linop, const Field &Src, Field &Psi) 
 {
   int Orthog = blockDim; // First dimension is block dim
-  Nblock = Src._grid->_fdimensions[Orthog];
+  Nblock = Src.Grid()->_fdimensions[Orthog];
 
   std::cout<<GridLogMessage<<"MultiRHS Conjugate Gradient : Orthog "<<Orthog<<" Nblock "<<Nblock<<std::endl;
 
-  Psi.checkerboard = Src.checkerboard;
+  Psi.Checkerboard() = Src.Checkerboard();
   conformable(Psi, Src);
 
   Field P(Src);
@@ -444,7 +444,8 @@ void CGmultiRHSsolve(LinearOperatorBase<Field> &Linop, const Field &Src, Field &
 
       Linop.HermOp(Psi, AP);
       AP = AP-Src;
-      std::cout <<GridLogMessage << "\tTrue residual is " << std::sqrt(norm2(AP)/norm2(Src)) <<std::endl;
+      TrueResidual = std::sqrt(norm2(AP)/norm2(Src));
+      std::cout <<GridLogMessage << "\tTrue residual is " << TrueResidual <<std::endl;
 
       std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
       std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
@@ -478,7 +479,7 @@ void MaddMatrix(std::vector<Field> &AP, Eigen::MatrixXcd &m , const std::vector<
   for(int b=0;b<Nblock;b++){
     tmp[b]   = Y[b];
     for(int bp=0;bp<Nblock;bp++) {
-      tmp[b] = tmp[b] + (scale*m(bp,b))*X[bp]; 
+      tmp[b] = tmp[b] + scomplex(scale*m(bp,b))*X[bp]; 
     }
   }
   for(int b=0;b<Nblock;b++){
@@ -488,9 +489,9 @@ void MaddMatrix(std::vector<Field> &AP, Eigen::MatrixXcd &m , const std::vector<
 void MulMatrix(std::vector<Field> &AP, Eigen::MatrixXcd &m , const std::vector<Field> &X){
   // Should make this cache friendly with site outermost, parallel_for
   for(int b=0;b<Nblock;b++){
-    AP[b] = zero;
+    AP[b] = Zero();
     for(int bp=0;bp<Nblock;bp++) {
-      AP[b] += (m(bp,b))*X[bp]; 
+      AP[b] += scomplex(m(bp,b))*X[bp]; 
     }
   }
 }
@@ -517,7 +518,7 @@ void BlockCGrQsolveVec(LinearOperatorBase<Field> &Linop, const std::vector<Field
   std::cout<<GridLogMessage<<" Block Conjugate Gradient Vec rQ : Nblock "<<Nblock<<std::endl;
 
   for(int b=0;b<Nblock;b++){ 
-    X[b].checkerboard = B[b].checkerboard;
+    X[b].Checkerboard() = B[b].Checkerboard();
     conformable(X[b], B[b]);
     conformable(X[b], X[0]); 
   }
@@ -655,7 +656,7 @@ void BlockCGrQsolveVec(LinearOperatorBase<Field> &Linop, const std::vector<Field
       if ( rr > max_resid ) max_resid = rr;
     }
 
-    std::cout << GridLogIterative << "\t Block Iteration "<<k<<" ave resid "<< sqrt(rrsum/sssum) << " max "<< sqrt(max_resid) <<std::endl;
+    std::cout << GridLogIterative << "\t Block Iteration "<<k<<" ave resid "<< std::sqrt(rrsum/sssum) << " max "<< std::sqrt(max_resid) <<std::endl;
 
     if ( max_resid < Tolerance*Tolerance ) { 
 
@@ -670,7 +671,8 @@ void BlockCGrQsolveVec(LinearOperatorBase<Field> &Linop, const std::vector<Field
 
       for(int b=0;b<Nblock;b++) Linop.HermOp(X[b], AD[b]);
       for(int b=0;b<Nblock;b++) AD[b] = AD[b]-B[b];
-      std::cout << GridLogMessage <<"\t True residual is " << std::sqrt(normv(AD)/normv(B)) <<std::endl;
+      TrueResidual = std::sqrt(normv(AD)/normv(B));
+      std::cout << GridLogMessage << "\tTrue residual is " << TrueResidual <<std::endl;
 
       std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
       std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
@@ -690,9 +692,7 @@ void BlockCGrQsolveVec(LinearOperatorBase<Field> &Linop, const std::vector<Field
   IterationsToComplete = k;
 }
 
-
-
 };
 
-}
-#endif
+NAMESPACE_END(Grid);
+

Grid/algorithms/iterative/CommunicationAvoidingGeneralisedMinimalResidual.h

@@ -0,0 +1,248 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/CommunicationAvoidingGeneralisedMinimalResidual.h
+
+Copyright (C) 2015
+
+Author: Daniel Richtmann <daniel.richtmann@ur.de>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_COMMUNICATION_AVOIDING_GENERALISED_MINIMAL_RESIDUAL_H
+#define GRID_COMMUNICATION_AVOIDING_GENERALISED_MINIMAL_RESIDUAL_H
+
+namespace Grid {
+
+template<class Field>
+class CommunicationAvoidingGeneralisedMinimalResidual : public OperatorFunction<Field> {
+ public:
+  using OperatorFunction<Field>::operator();
+
+  bool ErrorOnNoConverge; // Throw an assert when CAGMRES fails to converge,
+                          // defaults to true
+
+  RealD   Tolerance;
+
+  Integer MaxIterations;
+  Integer RestartLength;
+  Integer MaxNumberOfRestarts;
+  Integer IterationCount; // Number of iterations the CAGMRES took to finish,
+                          // filled in upon completion
+
+  GridStopWatch MatrixTimer;
+  GridStopWatch LinalgTimer;
+  GridStopWatch QrTimer;
+  GridStopWatch CompSolutionTimer;
+
+  Eigen::MatrixXcd H;
+
+  std::vector<ComplexD> y;
+  std::vector<ComplexD> gamma;
+  std::vector<ComplexD> c;
+  std::vector<ComplexD> s;
+
+  CommunicationAvoidingGeneralisedMinimalResidual(RealD   tol,
+                                                  Integer maxit,
+                                                  Integer restart_length,
+                                                  bool    err_on_no_conv = true)
+      : Tolerance(tol)
+      , MaxIterations(maxit)
+      , RestartLength(restart_length)
+      , MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
+      , ErrorOnNoConverge(err_on_no_conv)
+      , H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
+      , y(RestartLength + 1, 0.)
+      , gamma(RestartLength + 1, 0.)
+      , c(RestartLength + 1, 0.)
+      , s(RestartLength + 1, 0.) {};
+
+  void operator()(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi) {
+
+    std::cout << GridLogWarning << "This algorithm currently doesn't differ from regular GMRES" << std::endl;
+
+    psi.Checkerboard() = src.Checkerboard();
+    conformable(psi, src);
+
+    RealD guess = norm2(psi);
+    assert(std::isnan(guess) == 0);
+
+    RealD cp;
+    RealD ssq = norm2(src);
+    RealD rsq = Tolerance * Tolerance * ssq;
+
+    Field r(src.Grid());
+
+    std::cout << std::setprecision(4) << std::scientific;
+    std::cout << GridLogIterative << "CommunicationAvoidingGeneralisedMinimalResidual: guess " << guess << std::endl;
+    std::cout << GridLogIterative << "CommunicationAvoidingGeneralisedMinimalResidual:   src " << ssq   << std::endl;
+
+    MatrixTimer.Reset();
+    LinalgTimer.Reset();
+    QrTimer.Reset();
+    CompSolutionTimer.Reset();
+
+    GridStopWatch SolverTimer;
+    SolverTimer.Start();
+
+    IterationCount = 0;
+
+    for (int k=0; k<MaxNumberOfRestarts; k++) {
+
+      cp = outerLoopBody(LinOp, src, psi, rsq);
+
+      // Stopping condition
+      if (cp <= rsq) {
+
+        SolverTimer.Stop();
+
+        LinOp.Op(psi,r);
+        axpy(r,-1.0,src,r);
+
+        RealD srcnorm       = sqrt(ssq);
+        RealD resnorm       = sqrt(norm2(r));
+        RealD true_residual = resnorm / srcnorm;
+
+        std::cout << GridLogMessage        << "CommunicationAvoidingGeneralisedMinimalResidual: Converged on iteration " << IterationCount
+                  << " computed residual " << sqrt(cp / ssq)
+                  << " true residual "     << true_residual
+                  << " target "            << Tolerance << std::endl;
+
+        std::cout << GridLogMessage << "CAGMRES Time elapsed: Total   " <<       SolverTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "CAGMRES Time elapsed: Matrix  " <<       MatrixTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "CAGMRES Time elapsed: Linalg  " <<       LinalgTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "CAGMRES Time elapsed: QR      " <<           QrTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "CAGMRES Time elapsed: CompSol " << CompSolutionTimer.Elapsed() << std::endl;
+        return;
+      }
+    }
+
+    std::cout << GridLogMessage << "CommunicationAvoidingGeneralisedMinimalResidual did NOT converge" << std::endl;
+
+    if (ErrorOnNoConverge)
+      assert(0);
+  }
+
+  RealD outerLoopBody(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi, RealD rsq) {
+
+    RealD cp = 0;
+
+    Field w(src.Grid());
+    Field r(src.Grid());
+
+    // this should probably be made a class member so that it is only allocated once, not in every restart
+    std::vector<Field> v(RestartLength + 1, src.Grid()); for (auto &elem : v) elem = Zero();
+
+    MatrixTimer.Start();
+    LinOp.Op(psi, w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    r = src - w;
+
+    gamma[0] = sqrt(norm2(r));
+
+    ComplexD scale = 1.0/gamma[0];
+    v[0] = scale * r;
+
+    LinalgTimer.Stop();
+
+    for (int i=0; i<RestartLength; i++) {
+
+      IterationCount++;
+
+      arnoldiStep(LinOp, v, w, i);
+
+      qrUpdate(i);
+
+      cp = norm(gamma[i+1]);
+
+      std::cout << GridLogIterative << "CommunicationAvoidingGeneralisedMinimalResidual: Iteration " << IterationCount
+                << " residual " << cp << " target " << rsq << std::endl;
+
+      if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
+
+        computeSolution(v, psi, i);
+
+        return cp;
+      }
+    }
+
+    assert(0); // Never reached
+    return cp;
+  }
+
+  void arnoldiStep(LinearOperatorBase<Field> &LinOp, std::vector<Field> &v, Field &w, int iter) {
+
+    MatrixTimer.Start();
+    LinOp.Op(v[iter], w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    for (int i = 0; i <= iter; ++i) {
+      H(iter, i) = innerProduct(v[i], w);
+      w = w - ComplexD(H(iter, i)) * v[i];
+    }
+
+    H(iter, iter + 1) = sqrt(norm2(w));
+    v[iter + 1] = ComplexD(1. / H(iter, iter + 1)) * w;
+    LinalgTimer.Stop();
+  }
+
+  void qrUpdate(int iter) {
+
+    QrTimer.Start();
+    for (int i = 0; i < iter ; ++i) {
+      auto tmp       = -s[i] * ComplexD(H(iter, i)) + c[i] * ComplexD(H(iter, i + 1));
+      H(iter, i)     = conjugate(c[i]) * ComplexD(H(iter, i)) + conjugate(s[i]) * ComplexD(H(iter, i + 1));
+      H(iter, i + 1) = tmp;
+    }
+
+    // Compute new Givens Rotation
+    auto nu     = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
+    c[iter]     = H(iter, iter) / nu;
+    s[iter]     = H(iter, iter + 1) / nu;
+
+    // Apply new Givens rotation
+    H(iter, iter)     = nu;
+    H(iter, iter + 1) = 0.;
+
+    gamma[iter + 1] = -s[iter] * gamma[iter];
+    gamma[iter]     = conjugate(c[iter]) * gamma[iter];
+    QrTimer.Stop();
+  }
+
+  void computeSolution(std::vector<Field> const &v, Field &psi, int iter) {
+
+    CompSolutionTimer.Start();
+    for (int i = iter; i >= 0; i--) {
+      y[i] = gamma[i];
+      for (int k = i + 1; k <= iter; k++)
+        y[i] = y[i] - ComplexD(H(k, i)) * y[k];
+      y[i] = y[i] / ComplexD(H(i, i));
+    }
+
+    for (int i = 0; i <= iter; i++)
+      psi = psi + v[i] * y[i];
+    CompSolutionTimer.Stop();
+  }
+};
+}
+#endif

Grid/algorithms/iterative/ConjugateGradient.h

@@ -27,11 +27,11 @@ with this program; if not, write to the Free Software Foundation, Inc.,
 See the full license in the file "LICENSE" in the top level distribution
 directory
 *************************************************************************************/
-/*  END LEGAL */
+			   /*  END LEGAL */
 #ifndef GRID_CONJUGATE_GRADIENT_H
 #define GRID_CONJUGATE_GRADIENT_H
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
 /////////////////////////////////////////////////////////////
 // Base classes for iterative processes based on operators
@@ -40,25 +40,31 @@ namespace Grid {
 
 template <class Field>
 class ConjugateGradient : public OperatorFunction<Field> {
- public:
+public:
+
+  using OperatorFunction<Field>::operator();
+
   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
+  RealD TrueResidual;
   
   ConjugateGradient(RealD tol, Integer maxit, bool err_on_no_conv = true)
-      : Tolerance(tol),
-        MaxIterations(maxit),
-        ErrorOnNoConverge(err_on_no_conv){};
+    : Tolerance(tol),
+      MaxIterations(maxit),
+      ErrorOnNoConverge(err_on_no_conv){};
 
   void operator()(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi) {
 
+    GRID_TRACE("ConjugateGradient");
+    psi.Checkerboard() = src.Checkerboard();
 
-    psi.checkerboard = src.checkerboard;
     conformable(psi, src);
 
-    RealD cp, c, a, d, b, ssq, qq, b_pred;
+    RealD cp, c, a, d, b, ssq, qq;
+    //RealD b_pred;
 
     Field p(src);
     Field mmp(src);
@@ -67,10 +73,9 @@ class ConjugateGradient : public OperatorFunction<Field> {
     // Initial residual computation & set up
     RealD guess = norm2(psi);
     assert(std::isnan(guess) == 0);
-
     
     Linop.HermOpAndNorm(psi, mmp, d, b);
-
+    
     r = src - mmp;
     p = r;
 
@@ -78,6 +83,14 @@ class ConjugateGradient : public OperatorFunction<Field> {
     cp = a;
     ssq = norm2(src);
 
+    // Handle trivial case of zero src
+    if (ssq == 0.){
+      psi = Zero();
+      IterationsToComplete = 1;
+      TrueResidual = 0.;
+      return;
+    }
+
     std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient: guess " << guess << std::endl;
     std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:   src " << ssq << std::endl;
     std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:    mp " << d << std::endl;
@@ -89,6 +102,9 @@ class ConjugateGradient : public OperatorFunction<Field> {
 
     // Check if guess is really REALLY good :)
     if (cp <= rsq) {
+      TrueResidual = std::sqrt(a/ssq);
+      std::cout << GridLogMessage << "ConjugateGradient guess is converged already " << std::endl;
+      IterationsToComplete = 0;	
       return;
     }
 
@@ -102,9 +118,13 @@ class ConjugateGradient : public OperatorFunction<Field> {
     GridStopWatch MatrixTimer;
     GridStopWatch SolverTimer;
 
+    RealD usecs = -usecond();
     SolverTimer.Start();
     int k;
-    for (k = 1; k <= MaxIterations*1000; k++) {
+    for (k = 1; k <= MaxIterations; k++) {
+
+      GridStopWatch IterationTimer;
+      IterationTimer.Start();
       c = cp;
 
       MatrixTimer.Start();
@@ -125,30 +145,43 @@ class ConjugateGradient : public OperatorFunction<Field> {
       b = cp / c;
 
       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]);
+      {
+	autoView( psi_v , psi, AcceleratorWrite);
+	autoView( p_v   , p,   AcceleratorWrite);
+	autoView( r_v   , r,   AcceleratorWrite);
+	accelerator_for(ss,p_v.size(), Field::vector_object::Nsimd(),{
+	    coalescedWrite(psi_v[ss], a      *  p_v(ss) + psi_v(ss));
+	    coalescedWrite(p_v[ss]  , b      *  p_v(ss) + r_v  (ss));
+	});
       }
       LinearCombTimer.Stop();
       LinalgTimer.Stop();
 
-      std::cout << GridLogIterative << "ConjugateGradient: Iteration " << k
-                << " residual^2 " << sqrt(cp/ssq) << " target " << Tolerance << std::endl;
+      IterationTimer.Stop();
+      if ( (k % 500) == 0 ) {
+	std::cout << GridLogMessage << "ConjugateGradient: Iteration " << k
+                << " residual " << sqrt(cp/ssq) << " target " << Tolerance << std::endl;
+      } else { 
+	std::cout << GridLogIterative << "ConjugateGradient: Iteration " << k
+		  << " residual " << sqrt(cp/ssq) << " target " << Tolerance << " took " << IterationTimer.Elapsed() << std::endl;
+      }
 
       // Stopping condition
       if (cp <= rsq) {
+	usecs +=usecond();
         SolverTimer.Stop();
         Linop.HermOpAndNorm(psi, mmp, d, qq);
         p = mmp - src;
-
-        RealD srcnorm = sqrt(norm2(src));
-        RealD resnorm = sqrt(norm2(p));
+	GridBase *grid = src.Grid();
+	RealD DwfFlops = (1452. )*grid->gSites()*4*k
+   	               + (8+4+8+4+4)*12*grid->gSites()*k; // CG linear algebra
+        RealD srcnorm = std::sqrt(norm2(src));
+        RealD resnorm = std::sqrt(norm2(p));
         RealD true_residual = resnorm / srcnorm;
-
-        std::cout << GridLogMessage << "ConjugateGradient Converged on iteration " << k << 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 << "ConjugateGradient Converged on iteration " << k 
+		  << "\tComputed residual " << std::sqrt(cp / ssq)
+		  << "\tTrue residual " << true_residual
+		  << "\tTarget " << Tolerance << std::endl;
 
         std::cout << GridLogMessage << "Time breakdown "<<std::endl;
 	std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed() <<std::endl;
@@ -158,20 +191,28 @@ class ConjugateGradient : public OperatorFunction<Field> {
 	std::cout << GridLogMessage << "\tAxpyNorm   " << AxpyNormTimer.Elapsed() <<std::endl;
 	std::cout << GridLogMessage << "\tLinearComb " << LinearCombTimer.Elapsed() <<std::endl;
 
+	std::cout << GridLogDebug << "\tMobius flop rate " << DwfFlops/ usecs<< " Gflops " <<std::endl;
+
         if (ErrorOnNoConverge) assert(true_residual / Tolerance < 10000.0);
 
 	IterationsToComplete = k;	
+	TrueResidual = true_residual;
 
         return;
       }
     }
-    std::cout << GridLogMessage << "ConjugateGradient did NOT converge"
-              << std::endl;
+    // Failed. Calculate true residual before giving up                                                         
+    Linop.HermOpAndNorm(psi, mmp, d, qq);
+    p = mmp - src;
+
+    TrueResidual = sqrt(norm2(p)/ssq);
+
+    std::cout << GridLogMessage << "ConjugateGradient did NOT converge "<<k<<" / "<< MaxIterations<< std::endl;
 
     if (ErrorOnNoConverge) assert(0);
     IterationsToComplete = k;
 
   }
 };
-}
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,17 +23,20 @@ Author: Christopher Kelly <ckelly@phys.columbia.edu>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_CONJUGATE_GRADIENT_MIXED_PREC_H
 #define GRID_CONJUGATE_GRADIENT_MIXED_PREC_H
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
   //Mixed precision restarted defect correction CG
-  template<class FieldD,class FieldF, typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
+  template<class FieldD,class FieldF, 
+    typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
+    typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
   class MixedPrecisionConjugateGradient : public LinearFunction<FieldD> {
-  public:                                                
+  public:
+    using LinearFunction<FieldD>::operator();
     RealD   Tolerance;
     RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
     Integer MaxInnerIterations;
@@ -46,11 +49,17 @@ namespace Grid {
     Integer TotalInnerIterations; //Number of inner CG iterations
     Integer TotalOuterIterations; //Number of restarts
     Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
+    RealD TrueResidual;
 
     //Option to speed up *inner single precision* solves using a LinearFunction that produces a guess
     LinearFunction<FieldF> *guesser;
     
-    MixedPrecisionConjugateGradient(RealD tol, Integer maxinnerit, Integer maxouterit, GridBase* _sp_grid, LinearOperatorBase<FieldF> &_Linop_f, LinearOperatorBase<FieldD> &_Linop_d) :
+    MixedPrecisionConjugateGradient(RealD tol, 
+				    Integer maxinnerit, 
+				    Integer maxouterit, 
+				    GridBase* _sp_grid, 
+				    LinearOperatorBase<FieldF> &_Linop_f, 
+				    LinearOperatorBase<FieldD> &_Linop_d) :
       Linop_f(_Linop_f), Linop_d(_Linop_d),
       Tolerance(tol), InnerTolerance(tol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid),
       OuterLoopNormMult(100.), guesser(NULL){ };
@@ -59,96 +68,103 @@ namespace Grid {
       guesser = &g;
     }
   
-    void operator() (const FieldD &src_d_in, FieldD &sol_d){
-      TotalInnerIterations = 0;
+  void operator() (const FieldD &src_d_in, FieldD &sol_d){
+    std::cout << GridLogMessage << "MixedPrecisionConjugateGradient: Starting mixed precision CG with outer tolerance " << Tolerance << " and inner tolerance " << InnerTolerance << std::endl;
+    TotalInnerIterations = 0;
 	
-      GridStopWatch TotalTimer;
-      TotalTimer.Start();
+    GridStopWatch TotalTimer;
+    TotalTimer.Start();
     
-      int cb = src_d_in.checkerboard;
-      sol_d.checkerboard = cb;
+    int cb = src_d_in.Checkerboard();
+    sol_d.Checkerboard() = cb;
     
-      RealD src_norm = norm2(src_d_in);
-      RealD stop = src_norm * Tolerance*Tolerance;
+    RealD src_norm = norm2(src_d_in);
+    RealD stop = src_norm * Tolerance*Tolerance;
 
-      GridBase* DoublePrecGrid = src_d_in._grid;
-      FieldD tmp_d(DoublePrecGrid);
-      tmp_d.checkerboard = cb;
+    GridBase* DoublePrecGrid = src_d_in.Grid();
+    FieldD tmp_d(DoublePrecGrid);
+    tmp_d.Checkerboard() = cb;
     
-      FieldD tmp2_d(DoublePrecGrid);
-      tmp2_d.checkerboard = cb;
+    FieldD tmp2_d(DoublePrecGrid);
+    tmp2_d.Checkerboard() = cb;
     
-      FieldD src_d(DoublePrecGrid);
-      src_d = src_d_in; //source for next inner iteration, computed from residual during operation
+    FieldD src_d(DoublePrecGrid);
+    src_d = src_d_in; //source for next inner iteration, computed from residual during operation
     
-      RealD inner_tol = InnerTolerance;
+    RealD inner_tol = InnerTolerance;
     
-      FieldF src_f(SinglePrecGrid);
-      src_f.checkerboard = cb;
+    FieldF src_f(SinglePrecGrid);
+    src_f.Checkerboard() = cb;
     
-      FieldF sol_f(SinglePrecGrid);
-      sol_f.checkerboard = cb;
+    FieldF sol_f(SinglePrecGrid);
+    sol_f.Checkerboard() = cb;
     
-      ConjugateGradient<FieldF> CG_f(inner_tol, MaxInnerIterations);
-      CG_f.ErrorOnNoConverge = false;
+    std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Starting initial inner CG with tolerance " << inner_tol << std::endl;
+    ConjugateGradient<FieldF> CG_f(inner_tol, MaxInnerIterations);
+    CG_f.ErrorOnNoConverge = false;
 
-      GridStopWatch InnerCGtimer;
+    GridStopWatch InnerCGtimer;
 
-      GridStopWatch PrecChangeTimer;
+    GridStopWatch PrecChangeTimer;
     
-      Integer &outer_iter = TotalOuterIterations; //so it will be equal to the final iteration count
+    Integer &outer_iter = TotalOuterIterations; //so it will be equal to the final iteration count
+
+    precisionChangeWorkspace pc_wk_sp_to_dp(DoublePrecGrid, SinglePrecGrid);
+    precisionChangeWorkspace pc_wk_dp_to_sp(SinglePrecGrid, DoublePrecGrid);
+    
+    for(outer_iter = 0; outer_iter < MaxOuterIterations; outer_iter++){
+      //Compute double precision rsd and also new RHS vector.
+      Linop_d.HermOp(sol_d, tmp_d);
+      RealD norm = axpy_norm(src_d, -1., tmp_d, src_d_in); //src_d is residual vector
       
-      for(outer_iter = 0; outer_iter < MaxOuterIterations; outer_iter++){
-	//Compute double precision rsd and also new RHS vector.
-	Linop_d.HermOp(sol_d, tmp_d);
-	RealD norm = axpy_norm(src_d, -1., tmp_d, src_d_in); //src_d is residual vector
-      
-	std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration " <<outer_iter<<" residual "<< norm<< " target "<< stop<<std::endl;
+      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration " <<outer_iter<<" residual "<< norm<< " target "<< stop<<std::endl;
 
-	if(norm < OuterLoopNormMult * stop){
-	  std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration converged on iteration " <<outer_iter <<std::endl;
-	  break;
-	}
-	while(norm * inner_tol * inner_tol < stop) inner_tol *= 2;  // inner_tol = sqrt(stop/norm) ??
-
-	PrecChangeTimer.Start();
-	precisionChange(src_f, src_d);
-	PrecChangeTimer.Stop();
-      
-	zeroit(sol_f);
-
-	//Optionally improve inner solver guess (eg using known eigenvectors)
-	if(guesser != NULL)
-	  (*guesser)(src_f, sol_f);
-
-	//Inner CG
-	CG_f.Tolerance = inner_tol;
-	InnerCGtimer.Start();
-	CG_f(Linop_f, src_f, sol_f);
-	InnerCGtimer.Stop();
-	TotalInnerIterations += CG_f.IterationsToComplete;
-      
-	//Convert sol back to double and add to double prec solution
-	PrecChangeTimer.Start();
-	precisionChange(tmp_d, sol_f);
-	PrecChangeTimer.Stop();
-      
-	axpy(sol_d, 1.0, tmp_d, sol_d);
+      if(norm < OuterLoopNormMult * stop){
+	std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration converged on iteration " <<outer_iter <<std::endl;
+	break;
       }
-    
-      //Final trial CG
-      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Starting final patch-up double-precision solve"<<std::endl;
-    
-      ConjugateGradient<FieldD> CG_d(Tolerance, MaxInnerIterations);
-      CG_d(Linop_d, src_d_in, sol_d);
-      TotalFinalStepIterations = CG_d.IterationsToComplete;
+      while(norm * inner_tol * inner_tol < stop) inner_tol *= 2;  // inner_tol = sqrt(stop/norm) ??
 
-      TotalTimer.Stop();
-      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Inner CG iterations " << TotalInnerIterations << " Restarts " << TotalOuterIterations << " Final CG iterations " << TotalFinalStepIterations << std::endl;
-      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Total time " << TotalTimer.Elapsed() << " Precision change " << PrecChangeTimer.Elapsed() << " Inner CG total " << InnerCGtimer.Elapsed() << std::endl;
+      PrecChangeTimer.Start();
+      precisionChange(src_f, src_d, pc_wk_dp_to_sp);
+      PrecChangeTimer.Stop();
+      
+      sol_f = Zero();
+
+      //Optionally improve inner solver guess (eg using known eigenvectors)
+      if(guesser != NULL)
+	(*guesser)(src_f, sol_f);
+
+      //Inner CG
+      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration " << outer_iter << " starting inner CG with tolerance " << inner_tol << std::endl;
+      CG_f.Tolerance = inner_tol;
+      InnerCGtimer.Start();
+      CG_f(Linop_f, src_f, sol_f);
+      InnerCGtimer.Stop();
+      TotalInnerIterations += CG_f.IterationsToComplete;
+      
+      //Convert sol back to double and add to double prec solution
+      PrecChangeTimer.Start();
+      precisionChange(tmp_d, sol_f, pc_wk_sp_to_dp);
+      PrecChangeTimer.Stop();
+      
+      axpy(sol_d, 1.0, tmp_d, sol_d);
     }
-  };
+    
+    //Final trial CG
+    std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Starting final patch-up double-precision solve"<<std::endl;
+    
+    ConjugateGradient<FieldD> CG_d(Tolerance, MaxInnerIterations);
+    CG_d(Linop_d, src_d_in, sol_d);
+    TotalFinalStepIterations = CG_d.IterationsToComplete;
+    TrueResidual = CG_d.TrueResidual;
 
-}
+    TotalTimer.Stop();
+    std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Inner CG iterations " << TotalInnerIterations << " Restarts " << TotalOuterIterations << " Final CG iterations " << TotalFinalStepIterations << std::endl;
+    std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Total time " << TotalTimer.Elapsed() << " Precision change " << PrecChangeTimer.Elapsed() << " Inner CG total " << InnerCGtimer.Elapsed() << std::endl;
+  }
+};
+
+NAMESPACE_END(Grid);
 
 #endif

Grid/algorithms/iterative/ConjugateGradientMixedPrecBatched.h

@@ -0,0 +1,213 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ConjugateGradientMixedPrecBatched.h
+
+    Copyright (C) 2015
+
+    Author: Raoul Hodgson <raoul.hodgson@ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_CONJUGATE_GRADIENT_MIXED_PREC_BATCHED_H
+#define GRID_CONJUGATE_GRADIENT_MIXED_PREC_BATCHED_H
+
+NAMESPACE_BEGIN(Grid);
+
+//Mixed precision restarted defect correction CG
+template<class FieldD,class FieldF, 
+  typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
+  typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
+class MixedPrecisionConjugateGradientBatched : public LinearFunction<FieldD> {
+public:
+  using LinearFunction<FieldD>::operator();
+  RealD   Tolerance;
+  RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
+  Integer MaxInnerIterations;
+  Integer MaxOuterIterations;
+  Integer MaxPatchupIterations;
+  GridBase* SinglePrecGrid; //Grid for single-precision fields
+  RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
+  LinearOperatorBase<FieldF> &Linop_f;
+  LinearOperatorBase<FieldD> &Linop_d;
+
+  //Option to speed up *inner single precision* solves using a LinearFunction that produces a guess
+  LinearFunction<FieldF> *guesser;
+  bool updateResidual;
+  
+  MixedPrecisionConjugateGradientBatched(RealD tol, 
+          Integer maxinnerit, 
+          Integer maxouterit, 
+          Integer maxpatchit,
+          GridBase* _sp_grid, 
+          LinearOperatorBase<FieldF> &_Linop_f, 
+          LinearOperatorBase<FieldD> &_Linop_d,
+          bool _updateResidual=true) :
+    Linop_f(_Linop_f), Linop_d(_Linop_d),
+    Tolerance(tol), InnerTolerance(tol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), MaxPatchupIterations(maxpatchit), SinglePrecGrid(_sp_grid),
+    OuterLoopNormMult(100.), guesser(NULL), updateResidual(_updateResidual) { };
+
+  void useGuesser(LinearFunction<FieldF> &g){
+    guesser = &g;
+  }
+  
+  void operator() (const FieldD &src_d_in, FieldD &sol_d){
+    std::vector<FieldD> srcs_d_in{src_d_in};
+    std::vector<FieldD> sols_d{sol_d};
+
+    (*this)(srcs_d_in,sols_d);
+
+    sol_d = sols_d[0];
+  }
+
+  void operator() (const std::vector<FieldD> &src_d_in, std::vector<FieldD> &sol_d){
+    assert(src_d_in.size() == sol_d.size());
+    int NBatch = src_d_in.size();
+
+    std::cout << GridLogMessage << "NBatch = " << NBatch << std::endl;
+
+    Integer TotalOuterIterations = 0; //Number of restarts
+    std::vector<Integer> TotalInnerIterations(NBatch,0);     //Number of inner CG iterations
+    std::vector<Integer> TotalFinalStepIterations(NBatch,0); //Number of CG iterations in final patch-up step
+  
+    GridStopWatch TotalTimer;
+    TotalTimer.Start();
+
+    GridStopWatch InnerCGtimer;
+    GridStopWatch PrecChangeTimer;
+    
+    int cb = src_d_in[0].Checkerboard();
+    
+    std::vector<RealD> src_norm;
+    std::vector<RealD> norm;
+    std::vector<RealD> stop;
+    
+    GridBase* DoublePrecGrid = src_d_in[0].Grid();
+    FieldD tmp_d(DoublePrecGrid);
+    tmp_d.Checkerboard() = cb;
+    
+    FieldD tmp2_d(DoublePrecGrid);
+    tmp2_d.Checkerboard() = cb;
+
+    std::vector<FieldD> src_d;
+    std::vector<FieldF> src_f;
+    std::vector<FieldF> sol_f;
+
+    for (int i=0; i<NBatch; i++) {
+      sol_d[i].Checkerboard() = cb;
+
+      src_norm.push_back(norm2(src_d_in[i]));
+      norm.push_back(0.);
+      stop.push_back(src_norm[i] * Tolerance*Tolerance);
+
+      src_d.push_back(src_d_in[i]); //source for next inner iteration, computed from residual during operation
+
+      src_f.push_back(SinglePrecGrid);
+      src_f[i].Checkerboard() = cb;
+
+      sol_f.push_back(SinglePrecGrid);
+      sol_f[i].Checkerboard() = cb;
+    }
+    
+    RealD inner_tol = InnerTolerance;
+    
+    ConjugateGradient<FieldF> CG_f(inner_tol, MaxInnerIterations);
+    CG_f.ErrorOnNoConverge = false;
+    
+    Integer &outer_iter = TotalOuterIterations; //so it will be equal to the final iteration count
+      
+    for(outer_iter = 0; outer_iter < MaxOuterIterations; outer_iter++){
+      std::cout << GridLogMessage << std::endl;
+      std::cout << GridLogMessage << "Outer iteration " << outer_iter << std::endl;
+      
+      bool allConverged = true;
+      
+      for (int i=0; i<NBatch; i++) {
+        //Compute double precision rsd and also new RHS vector.
+        Linop_d.HermOp(sol_d[i], tmp_d);
+        norm[i] = axpy_norm(src_d[i], -1., tmp_d, src_d_in[i]); //src_d is residual vector
+        
+        std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradientBatched: Outer iteration " << outer_iter <<" solve " << i << " residual "<< norm[i] << " target "<< stop[i] <<std::endl;
+
+        PrecChangeTimer.Start();
+        precisionChange(src_f[i], src_d[i]);
+        PrecChangeTimer.Stop();
+        
+        sol_f[i] = Zero();
+      
+        if(norm[i] > OuterLoopNormMult * stop[i]) {
+          allConverged = false;
+        }
+      }
+      if (allConverged) break;
+
+      if (updateResidual) {
+        RealD normMax = *std::max_element(std::begin(norm), std::end(norm));
+        RealD stopMax = *std::max_element(std::begin(stop), std::end(stop));
+        while( normMax * inner_tol * inner_tol < stopMax) inner_tol *= 2;  // inner_tol = sqrt(stop/norm) ??
+        CG_f.Tolerance = inner_tol;
+      }
+
+      //Optionally improve inner solver guess (eg using known eigenvectors)
+      if(guesser != NULL) {
+        (*guesser)(src_f, sol_f);
+      }
+
+      for (int i=0; i<NBatch; i++) {
+        //Inner CG
+        InnerCGtimer.Start();
+        CG_f(Linop_f, src_f[i], sol_f[i]);
+        InnerCGtimer.Stop();
+        TotalInnerIterations[i] += CG_f.IterationsToComplete;
+        
+        //Convert sol back to double and add to double prec solution
+        PrecChangeTimer.Start();
+        precisionChange(tmp_d, sol_f[i]);
+        PrecChangeTimer.Stop();
+        
+        axpy(sol_d[i], 1.0, tmp_d, sol_d[i]);
+      }
+
+    }
+    
+    //Final trial CG
+    std::cout << GridLogMessage << std::endl;
+    std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradientBatched: Starting final patch-up double-precision solve"<<std::endl;
+    
+    for (int i=0; i<NBatch; i++) {
+      ConjugateGradient<FieldD> CG_d(Tolerance, MaxPatchupIterations);
+      CG_d(Linop_d, src_d_in[i], sol_d[i]);
+      TotalFinalStepIterations[i] += CG_d.IterationsToComplete;
+    }
+
+    TotalTimer.Stop();
+
+    std::cout << GridLogMessage << std::endl;
+    for (int i=0; i<NBatch; i++) {
+      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradientBatched: solve " << i << " Inner CG iterations " << TotalInnerIterations[i] << " Restarts " << TotalOuterIterations << " Final CG iterations " << TotalFinalStepIterations[i] << std::endl;
+    }
+    std::cout << GridLogMessage << std::endl;
+    std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradientBatched: Total time " << TotalTimer.Elapsed() << " Precision change " << PrecChangeTimer.Elapsed() << " Inner CG total " << InnerCGtimer.Elapsed() << std::endl;
+    
+  }
+};
+
+NAMESPACE_END(Grid);
+
+#endif

Grid/algorithms/iterative/ConjugateGradientMultiShift.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -24,147 +24,169 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_CONJUGATE_MULTI_SHIFT_GRADIENT_H
 #define GRID_CONJUGATE_MULTI_SHIFT_GRADIENT_H
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-    /////////////////////////////////////////////////////////////
-    // Base classes for iterative processes based on operators
-    // single input vec, single output vec.
-    /////////////////////////////////////////////////////////////
+/////////////////////////////////////////////////////////////
+// Base classes for iterative processes based on operators
+// single input vec, single output vec.
+/////////////////////////////////////////////////////////////
 
-  template<class Field> 
-    class ConjugateGradientMultiShift : public OperatorMultiFunction<Field>,
-                                        public OperatorFunction<Field>
-    {
+template<class Field> 
+class ConjugateGradientMultiShift : public OperatorMultiFunction<Field>,
+				    public OperatorFunction<Field>
+{
 public:                                                
-    RealD   Tolerance;
-    Integer MaxIterations;
-    Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
-    int verbose;
-    MultiShiftFunction shifts;
 
-    ConjugateGradientMultiShift(Integer maxit,MultiShiftFunction &_shifts) : 
-	MaxIterations(maxit),
-	shifts(_shifts)
-    { 
-      verbose=1;
+  using OperatorFunction<Field>::operator();
+
+  //  RealD   Tolerance;
+  Integer MaxIterations;
+  Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+  std::vector<int> IterationsToCompleteShift;  // Iterations for this shift
+  int verbose;
+  MultiShiftFunction shifts;
+  std::vector<RealD> TrueResidualShift;
+
+  ConjugateGradientMultiShift(Integer maxit, const MultiShiftFunction &_shifts) : 
+    MaxIterations(maxit),
+    shifts(_shifts)
+  { 
+    verbose=1;
+    IterationsToCompleteShift.resize(_shifts.order);
+    TrueResidualShift.resize(_shifts.order);
+  }
+
+  void operator() (LinearOperatorBase<Field> &Linop, const Field &src, Field &psi)
+  {
+    GridBase *grid = src.Grid();
+    int nshift = shifts.order;
+    std::vector<Field> results(nshift,grid);
+    (*this)(Linop,src,results,psi);
+  }
+  void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector<Field> &results, Field &psi)
+  {
+    int nshift = shifts.order;
+
+    (*this)(Linop,src,results);
+  
+    psi = shifts.norm*src;
+    for(int i=0;i<nshift;i++){
+      psi = psi + shifts.residues[i]*results[i];
     }
 
-void operator() (LinearOperatorBase<Field> &Linop, const Field &src, Field &psi)
-{
-  GridBase *grid = src._grid;
-  int nshift = shifts.order;
-  std::vector<Field> results(nshift,grid);
-  (*this)(Linop,src,results,psi);
-}
-void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector<Field> &results, Field &psi)
-{
-  int nshift = shifts.order;
-
-  (*this)(Linop,src,results);
-  
-  psi = shifts.norm*src;
-  for(int i=0;i<nshift;i++){
-    psi = psi + shifts.residues[i]*results[i];
+    return;
   }
 
-  return;
-}
+  void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector<Field> &psi)
+  {
+    GRID_TRACE("ConjugateGradientMultiShift");
+  
+    GridBase *grid = src.Grid();
+  
+    ////////////////////////////////////////////////////////////////////////
+    // Convenience references to the info stored in "MultiShiftFunction"
+    ////////////////////////////////////////////////////////////////////////
+    int nshift = shifts.order;
 
-void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector<Field> &psi)
-{
-  
-  GridBase *grid = src._grid;
-  
-  ////////////////////////////////////////////////////////////////////////
-  // Convenience references to the info stored in "MultiShiftFunction"
-  ////////////////////////////////////////////////////////////////////////
-  int nshift = shifts.order;
+    std::vector<RealD> &mass(shifts.poles); // Make references to array in "shifts"
+    std::vector<RealD> &mresidual(shifts.tolerances);
+    std::vector<RealD> alpha(nshift,1.0);
+    std::vector<Field>   ps(nshift,grid);// Search directions
 
-  std::vector<RealD> &mass(shifts.poles); // Make references to array in "shifts"
-  std::vector<RealD> &mresidual(shifts.tolerances);
-  std::vector<RealD> alpha(nshift,1.0);
-  std::vector<Field>   ps(nshift,grid);// Search directions
+    assert(psi.size()==nshift);
+    assert(mass.size()==nshift);
+    assert(mresidual.size()==nshift);
+  
+    // dynamic sized arrays on stack; 2d is a pain with vector
+    RealD  bs[nshift];
+    RealD  rsq[nshift];
+    RealD  z[nshift][2];
+    int     converged[nshift];
+  
+    const int       primary =0;
+  
+    //Primary shift fields CG iteration
+    RealD a,b,c,d;
+    RealD cp,bp,qq; //prev
+  
+    // Matrix mult fields
+    Field r(grid);
+    Field p(grid);
+    Field tmp(grid);
+    Field mmp(grid);
+  
+    // Check lightest mass
+    for(int s=0;s<nshift;s++){
+      assert( mass[s]>= mass[primary] );
+      converged[s]=0;
+    }
+  
+    // Wire guess to zero
+    // Residuals "r" are src
+    // First search direction "p" is also src
+    cp = norm2(src);
 
-  assert(psi.size()==nshift);
-  assert(mass.size()==nshift);
-  assert(mresidual.size()==nshift);
+    // Handle trivial case of zero src.
+    if( cp == 0. ){
+      for(int s=0;s<nshift;s++){
+	psi[s] = Zero();
+	IterationsToCompleteShift[s] = 1;
+	TrueResidualShift[s] = 0.;
+      }
+      return;
+    }
+
+    for(int s=0;s<nshift;s++){
+      rsq[s] = cp * mresidual[s] * mresidual[s];
+      std::cout<<GridLogMessage<<"ConjugateGradientMultiShift: shift "<<s
+	       <<" target resid "<<rsq[s]<<std::endl;
+      ps[s] = src;
+    }
+    // r and p for primary
+    r=src;
+    p=src;
   
-  // dynamic sized arrays on stack; 2d is a pain with vector
-  RealD  bs[nshift];
-  RealD  rsq[nshift];
-  RealD  z[nshift][2];
-  int     converged[nshift];
+    //MdagM+m[0]
+    Linop.HermOpAndNorm(p,mmp,d,qq);
+    axpy(mmp,mass[0],p,mmp);
+    RealD rn = norm2(p);
+    d += rn*mass[0];
   
-  const int       primary =0;
+    // have verified that inner product of 
+    // p and mmp is equal to d after this since
+    // the d computation is tricky
+    //  qq = real(innerProduct(p,mmp));
+    //  std::cout<<GridLogMessage << "debug equal ?  qq "<<qq<<" d "<< d<<std::endl;
   
-  //Primary shift fields CG iteration
-  RealD a,b,c,d;
-  RealD cp,bp,qq; //prev
+    b = -cp /d;
   
-  // Matrix mult fields
-  Field r(grid);
-  Field p(grid);
-  Field tmp(grid);
-  Field mmp(grid);
+    // Set up the various shift variables
+    int       iz=0;
+    z[0][1-iz] = 1.0;
+    z[0][iz]   = 1.0;
+    bs[0]      = b;
+    for(int s=1;s<nshift;s++){
+      z[s][1-iz] = 1.0;
+      z[s][iz]   = 1.0/( 1.0 - b*(mass[s]-mass[0]));
+      bs[s]      = b*z[s][iz]; 
+    }
   
-  // Check lightest mass
-  for(int s=0;s<nshift;s++){
-    assert( mass[s]>= mass[primary] );
-    converged[s]=0;
-  }
+    // r += b[0] A.p[0]
+    // c= norm(r)
+    c=axpy_norm(r,b,mmp,r);
   
-  // Wire guess to zero
-  // Residuals "r" are src
-  // First search direction "p" is also src
-  cp = norm2(src);
-  for(int s=0;s<nshift;s++){
-    rsq[s] = cp * mresidual[s] * mresidual[s];
-    std::cout<<GridLogMessage<<"ConjugateGradientMultiShift: shift "<<s
-	     <<" target resid "<<rsq[s]<<std::endl;
-    ps[s] = src;
-  }
-  // r and p for primary
-  r=src;
-  p=src;
+    for(int s=0;s<nshift;s++) {
+      axpby(psi[s],0.,-bs[s]*alpha[s],src,src);
+    }
+
+    std::cout << GridLogIterative << "ConjugateGradientMultiShift: initial rn (|src|^2) =" << rn << " qq (|MdagM src|^2) =" << qq << " d ( dot(src, [MdagM + m_0]src) ) =" << d << " c=" << c << std::endl;
+    
   
-  //MdagM+m[0]
-  Linop.HermOpAndNorm(p,mmp,d,qq);
-  axpy(mmp,mass[0],p,mmp);
-  RealD rn = norm2(p);
-  d += rn*mass[0];
-  
-  // have verified that inner product of 
-  // p and mmp is equal to d after this since
-  // the d computation is tricky
-  //  qq = real(innerProduct(p,mmp));
-  //  std::cout<<GridLogMessage << "debug equal ?  qq "<<qq<<" d "<< d<<std::endl;
-  
-  b = -cp /d;
-  
-  // Set up the various shift variables
-  int       iz=0;
-  z[0][1-iz] = 1.0;
-  z[0][iz]   = 1.0;
-  bs[0]      = b;
-  for(int s=1;s<nshift;s++){
-    z[s][1-iz] = 1.0;
-    z[s][iz]   = 1.0/( 1.0 - b*(mass[s]-mass[0]));
-    bs[s]      = b*z[s][iz]; 
-  }
-  
-  // r += b[0] A.p[0]
-  // c= norm(r)
-  c=axpy_norm(r,b,mmp,r);
-  
-  for(int s=0;s<nshift;s++) {
-    axpby(psi[s],0.,-bs[s]*alpha[s],src,src);
-  }
- 
   ///////////////////////////////////////
   // Timers
   ///////////////////////////////////////
@@ -175,37 +197,37 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
   GridStopWatch SolverTimer;
   SolverTimer.Start();
   
-  // Iteration loop
-  int k;
+    // Iteration loop
+    int k;
   
-  for (k=1;k<=MaxIterations;k++){
+    for (k=1;k<=MaxIterations;k++){
     
-    a = c /cp;
+      a = c /cp;
     AXPYTimer.Start();
-    axpy(p,a,p,r);
+      axpy(p,a,p,r);
     AXPYTimer.Stop();
     
-    // Note to self - direction ps is iterated seperately
-    // for each shift. Does not appear to have any scope
-    // for avoiding linear algebra in "single" case.
-    // 
-    // However SAME r is used. Could load "r" and update
-    // ALL ps[s]. 2/3 Bandwidth saving
-    // New Kernel: Load r, vector of coeffs, vector of pointers ps
+      // Note to self - direction ps is iterated seperately
+      // for each shift. Does not appear to have any scope
+      // for avoiding linear algebra in "single" case.
+      // 
+      // However SAME r is used. Could load "r" and update
+      // ALL ps[s]. 2/3 Bandwidth saving
+      // New Kernel: Load r, vector of coeffs, vector of pointers ps
     AXPYTimer.Start();
-    for(int s=0;s<nshift;s++){
-      if ( ! converged[s] ) { 
-	if (s==0){
-	  axpy(ps[s],a,ps[s],r);
-	} else{
-	  RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
-	  axpby(ps[s],z[s][iz],as,r,ps[s]);
+      for(int s=0;s<nshift;s++){
+	if ( ! converged[s] ) { 
+	  if (s==0){
+	    axpy(ps[s],a,ps[s],r);
+	  } else{
+	    RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
+	    axpby(ps[s],z[s][iz],as,r,ps[s]);
+	  }
 	}
       }
-    }
     AXPYTimer.Stop();
     
-    cp=c;
+      cp=c;
     MatrixTimer.Start();  
     //Linop.HermOpAndNorm(p,mmp,d,qq); // d is used
     // The below is faster on KNL
@@ -215,108 +237,110 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
     MatrixTimer.Stop();  
 
     AXPYTimer.Start();
-    axpy(mmp,mass[0],p,mmp);
+      axpy(mmp,mass[0],p,mmp);
     AXPYTimer.Stop();
-    RealD rn = norm2(p);
-    d += rn*mass[0];
+      RealD rn = norm2(p);
+      d += rn*mass[0];
     
-    bp=b;
-    b=-cp/d;
+      bp=b;
+      b=-cp/d;
     
     AXPYTimer.Start();
-    c=axpy_norm(r,b,mmp,r);
+      c=axpy_norm(r,b,mmp,r);
     AXPYTimer.Stop();
 
-    // Toggle the recurrence history
-    bs[0] = b;
-    iz = 1-iz;
+      // Toggle the recurrence history
+      bs[0] = b;
+      iz = 1-iz;
     ShiftTimer.Start();
-    for(int s=1;s<nshift;s++){
-      if((!converged[s])){
-	RealD z0 = z[s][1-iz];
-	RealD z1 = z[s][iz];
-	z[s][iz] = z0*z1*bp
-	  / (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b)); 
-	bs[s] = b*z[s][iz]/z0; // NB sign  rel to Mike
+      for(int s=1;s<nshift;s++){
+	if((!converged[s])){
+	  RealD z0 = z[s][1-iz];
+	  RealD z1 = z[s][iz];
+	  z[s][iz] = z0*z1*bp
+	    / (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b)); 
+	  bs[s] = b*z[s][iz]/z0; // NB sign  rel to Mike
+	}
       }
-    }
     ShiftTimer.Stop();
     
-    for(int s=0;s<nshift;s++){
-      int ss = s;
-      // Scope for optimisation here in case of "single".
-      // Could load psi[0] and pull all ps[s] in.
-      //      if ( single ) ss=primary;
-      // Bandwith saving in single case is Ls * 3 -> 2+Ls, so ~ 3x saving
-      // Pipelined CG gain:
-      //
-      // New Kernel: Load r, vector of coeffs, vector of pointers ps
-      // New Kernel: Load psi[0], vector of coeffs, vector of pointers ps
-      // If can predict the coefficient bs then we can fuse these and avoid write reread cyce
-      //  on ps[s].
-      // Before:  3 x npole  + 3 x npole
-      // After :  2 x npole (ps[s])        => 3x speed up of multishift CG.
+      for(int s=0;s<nshift;s++){
+	int ss = s;
+	// Scope for optimisation here in case of "single".
+	// Could load psi[0] and pull all ps[s] in.
+	//      if ( single ) ss=primary;
+	// Bandwith saving in single case is Ls * 3 -> 2+Ls, so ~ 3x saving
+	// Pipelined CG gain:
+	//
+	// New Kernel: Load r, vector of coeffs, vector of pointers ps
+	// New Kernel: Load psi[0], vector of coeffs, vector of pointers ps
+	// If can predict the coefficient bs then we can fuse these and avoid write reread cyce
+	//  on ps[s].
+	// Before:  3 x npole  + 3 x npole
+	// After :  2 x npole (ps[s])        => 3x speed up of multishift CG.
       
-      if( (!converged[s]) ) { 
-	axpy(psi[ss],-bs[s]*alpha[s],ps[s],psi[ss]);
-      }
-    }
-    
-    // Convergence checks
-    int all_converged = 1;
-    for(int s=0;s<nshift;s++){
-      
-      if ( (!converged[s]) ){
-	
-	RealD css  = c * z[s][iz]* z[s][iz];
-	
-	if(css<rsq[s]){
-	  if ( ! converged[s] )
-	    std::cout<<GridLogMessage<<"ConjugateGradientMultiShift k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
-	      converged[s]=1;
-	} else {
-	  all_converged=0;
+	if( (!converged[s]) ) { 
+	  axpy(psi[ss],-bs[s]*alpha[s],ps[s],psi[ss]);
 	}
-
       }
-    }
     
-    if ( all_converged ){
+      // Convergence checks
+      int all_converged = 1;
+      for(int s=0;s<nshift;s++){
+      
+	if ( (!converged[s]) ){
+	  IterationsToCompleteShift[s] = k;
+	
+	  RealD css  = c * z[s][iz]* z[s][iz];
+	
+	  if(css<rsq[s]){
+	    if ( ! converged[s] )
+	      std::cout<<GridLogMessage<<"ConjugateGradientMultiShift k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
+	    converged[s]=1;
+	  } else {
+	    all_converged=0;
+	  }
+
+	}
+      }
+    
+      if ( all_converged ){
 
     SolverTimer.Stop();
 
 
-      std::cout<<GridLogMessage<< "CGMultiShift: All shifts have converged iteration "<<k<<std::endl;
-      std::cout<<GridLogMessage<< "CGMultiShift: Checking solutions"<<std::endl;
+	std::cout<<GridLogMessage<< "CGMultiShift: All shifts have converged iteration "<<k<<std::endl;
+	std::cout<<GridLogMessage<< "CGMultiShift: Checking solutions"<<std::endl;
       
-      // Check answers 
-      for(int s=0; s < nshift; s++) { 
-	Linop.HermOpAndNorm(psi[s],mmp,d,qq);
-	axpy(tmp,mass[s],psi[s],mmp);
-	axpy(r,-alpha[s],src,tmp);
-	RealD rn = norm2(r);
-	RealD cn = norm2(src);
-	std::cout<<GridLogMessage<<"CGMultiShift: shift["<<s<<"] true residual "<<std::sqrt(rn/cn)<<std::endl;
-      }
+	// Check answers 
+	for(int s=0; s < nshift; s++) { 
+	  Linop.HermOpAndNorm(psi[s],mmp,d,qq);
+	  axpy(tmp,mass[s],psi[s],mmp);
+	  axpy(r,-alpha[s],src,tmp);
+	  RealD rn = norm2(r);
+	  RealD cn = norm2(src);
+	  TrueResidualShift[s] = std::sqrt(rn/cn);
+	  std::cout<<GridLogMessage<<"CGMultiShift: shift["<<s<<"] true residual "<< TrueResidualShift[s] <<std::endl;
+	}
 
       std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
       std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
-      std::cout << GridLogMessage << "\tAXPY    " << AXPYTimer.Elapsed()     <<std::endl;
-      std::cout << GridLogMessage << "\tMarix    " << MatrixTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tAXPY     " << AXPYTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tMatrix   " << MatrixTimer.Elapsed()     <<std::endl;
       std::cout << GridLogMessage << "\tShift    " << ShiftTimer.Elapsed()     <<std::endl;
 
       IterationsToComplete = k;	
 
-      return;
-    }
+	return;
+      }
 
    
+    }
+    // ugly hack
+    std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
+    //  assert(0);
   }
-  // ugly hack
-  std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
-//  assert(0);
-}
 
-  };
-}
+};
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/iterative/ConjugateGradientMultiShiftCleanup.h

@@ -0,0 +1,373 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ConjugateGradientMultiShift.h
+
+    Copyright (C) 2015
+
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Christopher Kelly <ckelly@bnl.gov>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+//CK 2020: A variant of the multi-shift conjugate gradient with the matrix multiplication in single precision. 
+//The residual is stored in single precision, but the search directions and solution are stored in double precision. 
+//Every update_freq iterations the residual is corrected in double precision. 
+//For safety the a final regular CG is applied to clean up if necessary
+
+//PB Pure single, then double fixup
+
+template<class FieldD, class FieldF,
+	 typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
+	 typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
+class ConjugateGradientMultiShiftMixedPrecCleanup : public OperatorMultiFunction<FieldD>,
+					     public OperatorFunction<FieldD>
+{
+public:                                                
+
+  using OperatorFunction<FieldD>::operator();
+
+  RealD   Tolerance;
+  Integer MaxIterationsMshift;
+  Integer MaxIterations;
+  Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+  std::vector<int> IterationsToCompleteShift;  // Iterations for this shift
+  int verbose;
+  MultiShiftFunction shifts;
+  std::vector<RealD> TrueResidualShift;
+
+  int ReliableUpdateFreq; //number of iterations between reliable updates
+
+  GridBase* SinglePrecGrid; //Grid for single-precision fields
+  LinearOperatorBase<FieldF> &Linop_f; //single precision
+
+  ConjugateGradientMultiShiftMixedPrecCleanup(Integer maxit, const MultiShiftFunction &_shifts,
+				       GridBase* _SinglePrecGrid, LinearOperatorBase<FieldF> &_Linop_f,
+				       int _ReliableUpdateFreq) : 
+    MaxIterationsMshift(maxit),  shifts(_shifts), SinglePrecGrid(_SinglePrecGrid), Linop_f(_Linop_f), ReliableUpdateFreq(_ReliableUpdateFreq),
+    MaxIterations(20000)
+  { 
+    verbose=1;
+    IterationsToCompleteShift.resize(_shifts.order);
+    TrueResidualShift.resize(_shifts.order);
+  }
+
+  void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, FieldD &psi)
+  {
+    GridBase *grid = src.Grid();
+    int nshift = shifts.order;
+    std::vector<FieldD> results(nshift,grid);
+    (*this)(Linop,src,results,psi);
+  }
+  void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, std::vector<FieldD> &results, FieldD &psi)
+  {
+    int nshift = shifts.order;
+
+    (*this)(Linop,src,results);
+  
+    psi = shifts.norm*src;
+    for(int i=0;i<nshift;i++){
+      psi = psi + shifts.residues[i]*results[i];
+    }
+
+    return;
+  }
+
+  void operator() (LinearOperatorBase<FieldD> &Linop_d, const FieldD &src_d, std::vector<FieldD> &psi_d)
+  { 
+    GRID_TRACE("ConjugateGradientMultiShiftMixedPrecCleanup");
+    GridBase *DoublePrecGrid = src_d.Grid();
+
+    ////////////////////////////////////////////////////////////////////////
+    // Convenience references to the info stored in "MultiShiftFunction"
+    ////////////////////////////////////////////////////////////////////////
+    int nshift = shifts.order;
+
+    std::vector<RealD> &mass(shifts.poles); // Make references to array in "shifts"
+    std::vector<RealD> &mresidual(shifts.tolerances);
+    std::vector<RealD> alpha(nshift,1.0);
+
+    //Double precision search directions
+    FieldD p_d(DoublePrecGrid);
+    std::vector<FieldF> ps_f (nshift, SinglePrecGrid);// Search directions (single precision)
+    std::vector<FieldF> psi_f(nshift, SinglePrecGrid);// solutions (single precision)
+
+    FieldD tmp_d(DoublePrecGrid);
+    FieldD r_d(DoublePrecGrid);
+    FieldF r_f(SinglePrecGrid);
+    FieldD mmp_d(DoublePrecGrid);
+
+    assert(psi_d.size()==nshift);
+    assert(mass.size()==nshift);
+    assert(mresidual.size()==nshift);
+  
+    // dynamic sized arrays on stack; 2d is a pain with vector
+    RealD  bs[nshift];
+    RealD  rsq[nshift];
+    RealD  rsqf[nshift];
+    RealD  z[nshift][2];
+    int     converged[nshift];
+  
+    const int       primary =0;
+  
+    //Primary shift fields CG iteration
+    RealD a,b,c,d;
+    RealD cp,bp,qq; //prev
+  
+    // Matrix mult fields
+    FieldF p_f(SinglePrecGrid);
+    FieldF mmp_f(SinglePrecGrid);
+
+    // Check lightest mass
+    for(int s=0;s<nshift;s++){
+      assert( mass[s]>= mass[primary] );
+      converged[s]=0;
+    }
+  
+    // Wire guess to zero
+    // Residuals "r" are src
+    // First search direction "p" is also src
+    cp = norm2(src_d);
+
+    // Handle trivial case of zero src.
+    if( cp == 0. ){
+      for(int s=0;s<nshift;s++){
+	psi_d[s] = Zero();
+	psi_f[s] = Zero();
+	IterationsToCompleteShift[s] = 1;
+	TrueResidualShift[s] = 0.;
+      }
+      return;
+    }
+
+    for(int s=0;s<nshift;s++){
+      rsq[s] = cp * mresidual[s] * mresidual[s];
+      rsqf[s] =rsq[s];
+      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup: shift "<< s <<" target resid "<<rsq[s]<<std::endl;
+      //      ps_d[s] = src_d;
+      precisionChangeFast(ps_f[s],src_d);
+    }
+    // r and p for primary
+    p_d = src_d; //primary copy --- make this a reference to ps_d to save axpys
+    r_d = p_d;
+    
+    //MdagM+m[0]
+    precisionChangeFast(p_f,p_d);
+    Linop_f.HermOpAndNorm(p_f,mmp_f,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    precisionChangeFast(tmp_d,mmp_f);
+    Linop_d.HermOpAndNorm(p_d,mmp_d,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    tmp_d = tmp_d - mmp_d;
+    std::cout << " Testing operators match "<<norm2(mmp_d)<<" f "<<norm2(mmp_f)<<" diff "<< norm2(tmp_d)<<std::endl;
+    //    assert(norm2(tmp_d)< 1.0e-4);
+
+    axpy(mmp_d,mass[0],p_d,mmp_d);
+    RealD rn = norm2(p_d);
+    d += rn*mass[0];
+
+    b = -cp /d;
+  
+    // Set up the various shift variables
+    int       iz=0;
+    z[0][1-iz] = 1.0;
+    z[0][iz]   = 1.0;
+    bs[0]      = b;
+    for(int s=1;s<nshift;s++){
+      z[s][1-iz] = 1.0;
+      z[s][iz]   = 1.0/( 1.0 - b*(mass[s]-mass[0]));
+      bs[s]      = b*z[s][iz]; 
+    }
+  
+    // r += b[0] A.p[0]
+    // c= norm(r)
+    c=axpy_norm(r_d,b,mmp_d,r_d);
+  
+    for(int s=0;s<nshift;s++) {
+      axpby(psi_d[s],0.,-bs[s]*alpha[s],src_d,src_d);
+      precisionChangeFast(psi_f[s],psi_d[s]);
+    }
+  
+    ///////////////////////////////////////
+    // Timers
+    ///////////////////////////////////////
+    GridStopWatch AXPYTimer, ShiftTimer, QRTimer, MatrixTimer, SolverTimer, PrecChangeTimer, CleanupTimer;
+
+    SolverTimer.Start();
+  
+    // Iteration loop
+    int k;
+  
+    for (k=1;k<=MaxIterationsMshift;k++){    
+
+      a = c /cp;
+      AXPYTimer.Start();
+      axpy(p_d,a,p_d,r_d); 
+      AXPYTimer.Stop();
+
+      PrecChangeTimer.Start();
+      precisionChangeFast(r_f, r_d);
+      PrecChangeTimer.Stop();
+
+      AXPYTimer.Start();
+      for(int s=0;s<nshift;s++){
+	if ( ! converged[s] ) { 
+	  if (s==0){
+	    axpy(ps_f[s],a,ps_f[s],r_f);
+	  } else{
+	    RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
+	    axpby(ps_f[s],z[s][iz],as,r_f,ps_f[s]);
+	  }
+	}
+      }
+      AXPYTimer.Stop();
+
+      cp=c;
+      PrecChangeTimer.Start();
+      precisionChangeFast(p_f, p_d); //get back single prec search direction for linop
+      PrecChangeTimer.Stop();
+      MatrixTimer.Start();  
+      Linop_f.HermOp(p_f,mmp_f);
+      MatrixTimer.Stop();  
+      PrecChangeTimer.Start();
+      precisionChangeFast(mmp_d, mmp_f); // From Float to Double
+      PrecChangeTimer.Stop();
+
+      d=real(innerProduct(p_d,mmp_d));    
+      axpy(mmp_d,mass[0],p_d,mmp_d);
+      RealD rn = norm2(p_d);
+      d += rn*mass[0];
+    
+      bp=b;
+      b=-cp/d;
+
+      // Toggle the recurrence history
+      bs[0] = b;
+      iz = 1-iz;
+      ShiftTimer.Start();
+      for(int s=1;s<nshift;s++){
+	if((!converged[s])){
+	  RealD z0 = z[s][1-iz];
+	  RealD z1 = z[s][iz];
+	  z[s][iz] = z0*z1*bp
+	    / (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b)); 
+	  bs[s] = b*z[s][iz]/z0; // NB sign  rel to Mike
+	}
+      }
+      ShiftTimer.Stop();
+
+      //Update single precision solutions
+      AXPYTimer.Start();
+      for(int s=0;s<nshift;s++){
+	int ss = s;
+	if( (!converged[s]) ) { 
+	  axpy(psi_f[ss],-bs[s]*alpha[s],ps_f[s],psi_f[ss]);
+	}
+      }
+      c = axpy_norm(r_d,b,mmp_d,r_d);
+      AXPYTimer.Stop();
+    
+      // Convergence checks
+      int all_converged = 1;
+      for(int s=0;s<nshift;s++){
+      
+	if ( (!converged[s]) ){
+	  IterationsToCompleteShift[s] = k;
+	
+	  RealD css  = c * z[s][iz]* z[s][iz];
+	
+	  if(css<rsqf[s]){
+	    if ( ! converged[s] )
+	      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
+	    converged[s]=1;
+	  } else {
+	    all_converged=0;
+	  }
+
+	}
+      }
+
+      if ( all_converged || k == MaxIterationsMshift-1){
+
+	SolverTimer.Stop();
+
+	for(int s=0;s<nshift;s++){
+	  precisionChangeFast(psi_d[s],psi_f[s]);
+	}
+
+	
+	if ( all_converged ){
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: All shifts have converged iteration "<<k<<std::endl;
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: Checking solutions"<<std::endl;
+	} else {
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: Not all shifts have converged iteration "<<k<<std::endl;
+	}
+	
+	// Check answers 
+	for(int s=0; s < nshift; s++) { 
+	  Linop_d.HermOpAndNorm(psi_d[s],mmp_d,d,qq);
+	  axpy(tmp_d,mass[s],psi_d[s],mmp_d);
+	  axpy(r_d,-alpha[s],src_d,tmp_d);
+	  RealD rn = norm2(r_d);
+	  RealD cn = norm2(src_d);
+	  TrueResidualShift[s] = std::sqrt(rn/cn);
+	  std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup: shift["<<s<<"] true residual "<< TrueResidualShift[s] << " target " << mresidual[s] << std::endl;
+
+	  //If we have not reached the desired tolerance, do a (mixed precision) CG cleanup
+	  if(rn >= rsq[s]){
+	    CleanupTimer.Start();
+	    std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup: performing cleanup step for shift " << s << std::endl;
+
+	    //Setup linear operators for final cleanup
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldD> Linop_shift_d(Linop_d, mass[s]);
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldF> Linop_shift_f(Linop_f, mass[s]);
+					       
+	    MixedPrecisionConjugateGradient<FieldD,FieldF> cg(mresidual[s], MaxIterations, MaxIterations, SinglePrecGrid, Linop_shift_f, Linop_shift_d); 
+	    cg(src_d, psi_d[s]);
+	    
+	    TrueResidualShift[s] = cg.TrueResidual;
+	    CleanupTimer.Stop();
+	  }
+	}
+
+	std::cout << GridLogMessage << "ConjugateGradientMultiShiftMixedPrecCleanup: Time Breakdown for body"<<std::endl;
+	std::cout << GridLogMessage << "\tSolver    " << SolverTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tAXPY    " << AXPYTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tMatrix    " << MatrixTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tShift    " << ShiftTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tPrecision Change " << PrecChangeTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tFinal Cleanup " << CleanupTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tSolver+Cleanup " << SolverTimer.Elapsed() + CleanupTimer.Elapsed() << std::endl;
+
+	IterationsToComplete = k;	
+
+	return;
+      }
+   
+    }
+    std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
+    assert(0);
+  }
+
+};
+NAMESPACE_END(Grid);
+

Grid/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h

@@ -0,0 +1,416 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ConjugateGradientMultiShift.h
+
+    Copyright (C) 2015
+
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Christopher Kelly <ckelly@bnl.gov>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_CONJUGATE_GRADIENT_MULTI_SHIFT_MIXEDPREC_H
+#define GRID_CONJUGATE_GRADIENT_MULTI_SHIFT_MIXEDPREC_H
+
+NAMESPACE_BEGIN(Grid);
+
+//CK 2020: A variant of the multi-shift conjugate gradient with the matrix multiplication in single precision. 
+//The residual is stored in single precision, but the search directions and solution are stored in double precision. 
+//Every update_freq iterations the residual is corrected in double precision. 
+    
+//For safety the a final regular CG is applied to clean up if necessary
+
+//Linop to add shift to input linop, used in cleanup CG
+namespace ConjugateGradientMultiShiftMixedPrecSupport{
+template<typename Field>
+class ShiftedLinop: public LinearOperatorBase<Field>{
+public:
+  LinearOperatorBase<Field> &linop_base;
+  RealD shift;
+
+  ShiftedLinop(LinearOperatorBase<Field> &_linop_base, RealD _shift): linop_base(_linop_base), shift(_shift){}
+
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); }
+  
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+
+  void HermOp(const Field &in, Field &out){
+    linop_base.HermOp(in, out);
+    axpy(out, shift, in, out);
+  }    
+
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
+    HermOp(in,out);
+    ComplexD dot = innerProduct(in,out);
+    n1=real(dot);
+    n2=norm2(out);
+  }
+};
+};
+
+
+template<class FieldD, class FieldF,
+	 typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
+	 typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
+class ConjugateGradientMultiShiftMixedPrec : public OperatorMultiFunction<FieldD>,
+					     public OperatorFunction<FieldD>
+{
+public:                                                
+
+  using OperatorFunction<FieldD>::operator();
+
+  RealD   Tolerance;
+  Integer MaxIterationsMshift;
+  Integer MaxIterations;
+  Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+  std::vector<int> IterationsToCompleteShift;  // Iterations for this shift
+  int verbose;
+  MultiShiftFunction shifts;
+  std::vector<RealD> TrueResidualShift;
+
+  int ReliableUpdateFreq; //number of iterations between reliable updates
+
+  GridBase* SinglePrecGrid; //Grid for single-precision fields
+  LinearOperatorBase<FieldF> &Linop_f; //single precision
+
+  ConjugateGradientMultiShiftMixedPrec(Integer maxit, const MultiShiftFunction &_shifts,
+				       GridBase* _SinglePrecGrid, LinearOperatorBase<FieldF> &_Linop_f,
+				       int _ReliableUpdateFreq) : 
+    MaxIterationsMshift(maxit),  shifts(_shifts), SinglePrecGrid(_SinglePrecGrid), Linop_f(_Linop_f), ReliableUpdateFreq(_ReliableUpdateFreq),
+    MaxIterations(20000)
+  { 
+    verbose=1;
+    IterationsToCompleteShift.resize(_shifts.order);
+    TrueResidualShift.resize(_shifts.order);
+  }
+
+  void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, FieldD &psi)
+  {
+    GridBase *grid = src.Grid();
+    int nshift = shifts.order;
+    std::vector<FieldD> results(nshift,grid);
+    (*this)(Linop,src,results,psi);
+  }
+  void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, std::vector<FieldD> &results, FieldD &psi)
+  {
+    int nshift = shifts.order;
+
+    (*this)(Linop,src,results);
+  
+    psi = shifts.norm*src;
+    for(int i=0;i<nshift;i++){
+      psi = psi + shifts.residues[i]*results[i];
+    }
+
+    return;
+  }
+
+  void operator() (LinearOperatorBase<FieldD> &Linop_d, const FieldD &src_d, std::vector<FieldD> &psi_d)
+  { 
+    GRID_TRACE("ConjugateGradientMultiShiftMixedPrec");
+    GridBase *DoublePrecGrid = src_d.Grid();
+
+    precisionChangeWorkspace pc_wk_s_to_d(DoublePrecGrid,SinglePrecGrid);
+    precisionChangeWorkspace pc_wk_d_to_s(SinglePrecGrid,DoublePrecGrid);
+    
+    ////////////////////////////////////////////////////////////////////////
+    // Convenience references to the info stored in "MultiShiftFunction"
+    ////////////////////////////////////////////////////////////////////////
+    int nshift = shifts.order;
+
+    std::vector<RealD> &mass(shifts.poles); // Make references to array in "shifts"
+    std::vector<RealD> &mresidual(shifts.tolerances);
+    std::vector<RealD> alpha(nshift,1.0);
+
+    //Double precision search directions
+    FieldD p_d(DoublePrecGrid);
+    std::vector<FieldD> ps_d(nshift, DoublePrecGrid);// Search directions (double precision)
+
+    FieldD tmp_d(DoublePrecGrid);
+    FieldD r_d(DoublePrecGrid);
+    FieldD mmp_d(DoublePrecGrid);
+
+    assert(psi_d.size()==nshift);
+    assert(mass.size()==nshift);
+    assert(mresidual.size()==nshift);
+  
+    // dynamic sized arrays on stack; 2d is a pain with vector
+    RealD  bs[nshift];
+    RealD  rsq[nshift];
+    RealD  rsqf[nshift];
+    RealD  z[nshift][2];
+    int     converged[nshift];
+  
+    const int       primary =0;
+  
+    //Primary shift fields CG iteration
+    RealD a,b,c,d;
+    RealD cp,bp,qq; //prev
+  
+    // Matrix mult fields
+    FieldF p_f(SinglePrecGrid);
+    FieldF mmp_f(SinglePrecGrid);
+
+    // Check lightest mass
+    for(int s=0;s<nshift;s++){
+      assert( mass[s]>= mass[primary] );
+      converged[s]=0;
+    }
+  
+    // Wire guess to zero
+    // Residuals "r" are src
+    // First search direction "p" is also src
+    cp = norm2(src_d);
+
+    // Handle trivial case of zero src.
+    if( cp == 0. ){
+      for(int s=0;s<nshift;s++){
+	psi_d[s] = Zero();
+	IterationsToCompleteShift[s] = 1;
+	TrueResidualShift[s] = 0.;
+      }
+      return;
+    }
+
+    for(int s=0;s<nshift;s++){
+      rsq[s] = cp * mresidual[s] * mresidual[s];
+      rsqf[s] =rsq[s];
+      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: shift "<< s <<" target resid "<<rsq[s]<<std::endl;
+      ps_d[s] = src_d;
+    }
+    // r and p for primary
+    p_d = src_d; //primary copy --- make this a reference to ps_d to save axpys
+    r_d = p_d;
+    
+    //MdagM+m[0]
+    precisionChange(p_f, p_d, pc_wk_d_to_s);
+
+    Linop_f.HermOpAndNorm(p_f,mmp_f,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    precisionChange(tmp_d, mmp_f, pc_wk_s_to_d);
+    Linop_d.HermOpAndNorm(p_d,mmp_d,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    tmp_d = tmp_d - mmp_d;
+    std::cout << " Testing operators match "<<norm2(mmp_d)<<" f "<<norm2(mmp_f)<<" diff "<< norm2(tmp_d)<<std::endl;
+    //    assert(norm2(tmp_d)< 1.0e-4);
+
+    axpy(mmp_d,mass[0],p_d,mmp_d);
+    RealD rn = norm2(p_d);
+    d += rn*mass[0];
+
+    b = -cp /d;
+  
+    // Set up the various shift variables
+    int       iz=0;
+    z[0][1-iz] = 1.0;
+    z[0][iz]   = 1.0;
+    bs[0]      = b;
+    for(int s=1;s<nshift;s++){
+      z[s][1-iz] = 1.0;
+      z[s][iz]   = 1.0/( 1.0 - b*(mass[s]-mass[0]));
+      bs[s]      = b*z[s][iz]; 
+    }
+  
+    // r += b[0] A.p[0]
+    // c= norm(r)
+    c=axpy_norm(r_d,b,mmp_d,r_d);
+  
+    for(int s=0;s<nshift;s++) {
+      axpby(psi_d[s],0.,-bs[s]*alpha[s],src_d,src_d);
+    }
+  
+    ///////////////////////////////////////
+    // Timers
+    ///////////////////////////////////////
+    GridStopWatch AXPYTimer, ShiftTimer, QRTimer, MatrixTimer, SolverTimer, PrecChangeTimer, CleanupTimer;
+
+    SolverTimer.Start();
+  
+    // Iteration loop
+    int k;
+  
+    for (k=1;k<=MaxIterationsMshift;k++){    
+
+      a = c /cp;
+      AXPYTimer.Start();
+      axpy(p_d,a,p_d,r_d); 
+
+      for(int s=0;s<nshift;s++){
+	if ( ! converged[s] ) { 
+	  if (s==0){
+	    axpy(ps_d[s],a,ps_d[s],r_d);
+	  } else{
+	    RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
+	    axpby(ps_d[s],z[s][iz],as,r_d,ps_d[s]);
+	  }
+	}
+      }
+      AXPYTimer.Stop();
+
+      PrecChangeTimer.Start();
+      precisionChange(p_f, p_d, pc_wk_d_to_s); //get back single prec search direction for linop
+      PrecChangeTimer.Stop();
+
+      cp=c;
+      MatrixTimer.Start();  
+      Linop_f.HermOp(p_f,mmp_f);
+      MatrixTimer.Stop();  
+
+      PrecChangeTimer.Start();
+      precisionChange(mmp_d, mmp_f, pc_wk_s_to_d); // From Float to Double
+      PrecChangeTimer.Stop();
+
+      AXPYTimer.Start();
+      d=real(innerProduct(p_d,mmp_d));    
+      axpy(mmp_d,mass[0],p_d,mmp_d);
+      AXPYTimer.Stop();
+      RealD rn = norm2(p_d);
+      d += rn*mass[0];
+    
+      bp=b;
+      b=-cp/d;
+
+      // Toggle the recurrence history
+      bs[0] = b;
+      iz = 1-iz;
+      ShiftTimer.Start();
+      for(int s=1;s<nshift;s++){
+	if((!converged[s])){
+	  RealD z0 = z[s][1-iz];
+	  RealD z1 = z[s][iz];
+	  z[s][iz] = z0*z1*bp
+	    / (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b)); 
+	  bs[s] = b*z[s][iz]/z0; // NB sign  rel to Mike
+	}
+      }
+      ShiftTimer.Stop();
+
+      //Update double precision solutions
+      AXPYTimer.Start();
+      for(int s=0;s<nshift;s++){
+	int ss = s;
+	if( (!converged[s]) ) { 
+	  axpy(psi_d[ss],-bs[s]*alpha[s],ps_d[s],psi_d[ss]);
+	}
+      }
+
+      //Perform reliable update if necessary; otherwise update residual from single-prec mmp
+      c = axpy_norm(r_d,b,mmp_d,r_d);
+
+      AXPYTimer.Stop();
+
+      if(k % ReliableUpdateFreq == 0){
+	RealD c_old = c;
+	//Replace r with true residual
+	MatrixTimer.Start();  
+	Linop_d.HermOp(psi_d[0],mmp_d); 
+	MatrixTimer.Stop();  
+
+	AXPYTimer.Start();
+	axpy(mmp_d,mass[0],psi_d[0],mmp_d);
+
+	c = axpy_norm(r_d, -1.0, mmp_d, src_d);
+	AXPYTimer.Stop();
+
+	std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<< ", replaced |r|^2 = "<<c_old <<" with |r|^2 = "<<c<<std::endl;
+      }
+    
+      // Convergence checks
+      int all_converged = 1;
+      for(int s=0;s<nshift;s++){
+      
+	if ( (!converged[s]) ){
+	  IterationsToCompleteShift[s] = k;
+	
+	  RealD css  = c * z[s][iz]* z[s][iz];
+	
+	  if(css<rsqf[s]){
+	    if ( ! converged[s] )
+	      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
+	    converged[s]=1;
+	  } else {
+	    all_converged=0;
+	  }
+
+	}
+      }
+
+      if ( all_converged || k == MaxIterationsMshift-1){
+
+	SolverTimer.Stop();
+
+	if ( all_converged ){
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: All shifts have converged iteration "<<k<<std::endl;
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: Checking solutions"<<std::endl;
+	} else {
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: Not all shifts have converged iteration "<<k<<std::endl;
+	}
+	
+	// Check answers 
+	for(int s=0; s < nshift; s++) { 
+	  Linop_d.HermOpAndNorm(psi_d[s],mmp_d,d,qq);
+	  axpy(tmp_d,mass[s],psi_d[s],mmp_d);
+	  axpy(r_d,-alpha[s],src_d,tmp_d);
+	  RealD rn = norm2(r_d);
+	  RealD cn = norm2(src_d);
+	  TrueResidualShift[s] = std::sqrt(rn/cn);
+	  std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: shift["<<s<<"] true residual "<< TrueResidualShift[s] << " target " << mresidual[s] << std::endl;
+
+	  //If we have not reached the desired tolerance, do a (mixed precision) CG cleanup
+	  if(rn >= rsq[s]){
+	    CleanupTimer.Start();
+	    std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: performing cleanup step for shift " << s << std::endl;
+
+	    //Setup linear operators for final cleanup
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldD> Linop_shift_d(Linop_d, mass[s]);
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldF> Linop_shift_f(Linop_f, mass[s]);
+					       
+	    MixedPrecisionConjugateGradient<FieldD,FieldF> cg(mresidual[s], MaxIterations, MaxIterations, SinglePrecGrid, Linop_shift_f, Linop_shift_d); 
+	    cg(src_d, psi_d[s]);
+	    
+	    TrueResidualShift[s] = cg.TrueResidual;
+	    CleanupTimer.Stop();
+	  }
+	}
+
+	std::cout << GridLogMessage << "ConjugateGradientMultiShiftMixedPrec: Time Breakdown for body"<<std::endl;
+	std::cout << GridLogMessage << "\tSolver    " << SolverTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tAXPY    " << AXPYTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tMatrix    " << MatrixTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tShift    " << ShiftTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tPrecision Change " << PrecChangeTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tFinal Cleanup " << CleanupTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tSolver+Cleanup " << SolverTimer.Elapsed() + CleanupTimer.Elapsed() << std::endl;
+
+	IterationsToComplete = k;	
+
+	return;
+      }
+   
+    }
+    std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
+    assert(0);
+  }
+
+};
+NAMESPACE_END(Grid);
+#endif

Grid/algorithms/iterative/ConjugateGradientReliableUpdate.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,234 +23,255 @@ Author: Christopher Kelly <ckelly@phys.columbia.edu>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_CONJUGATE_GRADIENT_RELIABLE_UPDATE_H
 #define GRID_CONJUGATE_GRADIENT_RELIABLE_UPDATE_H
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-  template<class FieldD,class FieldF, typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
-  class ConjugateGradientReliableUpdate : public LinearFunction<FieldD> {
-  public:
-    bool ErrorOnNoConverge;  // throw an 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;
+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
+  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
+  LinearOperatorBase<FieldF> &Linop_f;
+  LinearOperatorBase<FieldD> &Linop_d;
+  GridBase* SinglePrecGrid;
+  RealD Delta; //reliable update parameter. A reliable update is performed when the residual drops by a factor of Delta relative to its value at the last update
 
-    //Optional ability to switch to a different linear operator once the tolerance reaches a certain point. Useful for single/half -> single/single
-    LinearOperatorBase<FieldF> *Linop_fallback;
-    RealD fallback_transition_tol;
+  //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;      
-    }    
+  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)
+  {
+    assert(Delta > 0. && Delta < 1. && "Expect  0 < Delta < 1");
   };
 
+  void setFallbackLinop(LinearOperatorBase<FieldF> &_Linop_fallback, const RealD _fallback_transition_tol){
+    Linop_fallback = &_Linop_fallback;
+    fallback_transition_tol = _fallback_transition_tol;      
+  }
+    
+  void operator()(const FieldD &src, FieldD &psi) {
+    GRID_TRACE("ConjugateGradientReliableUpdate");
+    LinearOperatorBase<FieldF> *Linop_f_use = &Linop_f;
+    bool using_fallback = false;
+      
+    psi.Checkerboard() = src.Checkerboard();
+    conformable(psi, src);
 
+    RealD cp, c, a, d, b, ssq, qq, b_pred;
+
+    FieldD p(src);
+    FieldD mmp(src);
+    FieldD r(src);
+
+    // Initial residual computation & set up
+    RealD guess = norm2(psi);
+    assert(std::isnan(guess) == 0);
+    
+    Linop_d.HermOpAndNorm(psi, mmp, d, b);
+    
+    r = src - mmp;
+    p = r;
+
+    a = norm2(p);
+    cp = a;
+    ssq = norm2(src);
+
+    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate: guess " << guess << std::endl;
+    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate:   src " << ssq << std::endl;
+    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate:    mp " << d << std::endl;
+    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate:   mmp " << b << std::endl;
+    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate:  cp,r " << cp << std::endl;
+    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradientReliableUpdate:     p " << a << std::endl;
+
+    RealD rsq = Tolerance * Tolerance * ssq;
+
+    // Check if guess is really REALLY good :)
+    if (cp <= rsq) {
+      std::cout << GridLogMessage << "ConjugateGradientReliableUpdate guess was REALLY good\n";
+      std::cout << GridLogMessage << "\tComputed residual " << std::sqrt(cp / ssq)<<std::endl;
+      return;
+    }
+
+    //Single prec initialization
+    precisionChangeWorkspace pc_wk_sp_to_dp(src.Grid(), SinglePrecGrid);
+    precisionChangeWorkspace pc_wk_dp_to_sp(SinglePrecGrid, src.Grid());
+    
+    FieldF r_f(SinglePrecGrid);
+    r_f.Checkerboard() = r.Checkerboard();
+    precisionChange(r_f, r, pc_wk_dp_to_sp);
+
+    FieldF psi_f(r_f);
+    psi_f = Zero();
+
+    FieldF p_f(r_f);
+    FieldF mmp_f(r_f);
+
+    RealD MaxResidSinceLastRelUp = cp; //initial residual    
+    
+    std::cout << GridLogIterative << std::setprecision(4)
+	      << "ConjugateGradient: k=0 residual " << cp << " target " << rsq << std::endl;
+
+    GridStopWatch LinalgTimer;
+    GridStopWatch MatrixTimer;
+    GridStopWatch SolverTimer;
+    GridStopWatch PrecChangeTimer;
+    
+    SolverTimer.Start();
+    int k = 0;
+    int l = 0;
+    
+    for (k = 1; k <= MaxIterations; k++) {
+      c = cp;
+
+      MatrixTimer.Start();
+      Linop_f_use->HermOpAndNorm(p_f, mmp_f, d, qq);
+      MatrixTimer.Stop();
+
+      LinalgTimer.Start();
+
+      a = c / d;
+      b_pred = a * (a * qq - d) / c;
+
+      cp = axpy_norm(r_f, -a, mmp_f, r_f);
+      b = cp / c;
+
+      // Fuse these loops ; should be really easy
+      psi_f = a * p_f + psi_f;
+      //p_f = p_f * b + r_f;
+
+      LinalgTimer.Stop();
+
+      std::cout << GridLogIterative << "ConjugateGradientReliableUpdate: Iteration " << k
+		<< " residual " << cp << " target " << rsq << std::endl;
+      std::cout << GridLogDebug << "a = "<< a << " b_pred = "<< b_pred << "  b = "<< b << std::endl;
+      std::cout << GridLogDebug << "qq = "<< qq << " d = "<< d << "  c = "<< c << std::endl;
+
+      if(cp > MaxResidSinceLastRelUp){
+	std::cout << GridLogIterative << "ConjugateGradientReliableUpdate: updating MaxResidSinceLastRelUp : " << MaxResidSinceLastRelUp << " -> " << cp << std::endl;
+	MaxResidSinceLastRelUp = cp;
+      }
+	  
+      // Stopping condition
+      if (cp <= rsq) {
+	//Although not written in the paper, I assume that I have to add on the final solution
+	PrecChangeTimer.Start();
+	precisionChange(mmp, psi_f, pc_wk_sp_to_dp);
+	PrecChangeTimer.Stop();
+	psi = psi + mmp;
+	
+	
+	SolverTimer.Stop();
+	Linop_d.HermOpAndNorm(psi, mmp, d, qq);
+	p = mmp - src;
+
+	RealD srcnorm = std::sqrt(norm2(src));
+	RealD resnorm = std::sqrt(norm2(p));
+	RealD true_residual = resnorm / srcnorm;
+
+	std::cout << GridLogMessage << "ConjugateGradientReliableUpdate Converged on iteration " << k << " after " << l << " reliable updates" << std::endl;
+	std::cout << GridLogMessage << "\tComputed residual " << std::sqrt(cp / ssq)<<std::endl;
+	std::cout << GridLogMessage << "\tTrue residual " << true_residual<<std::endl;
+	std::cout << GridLogMessage << "\tTarget " << Tolerance << std::endl;
+
+	std::cout << GridLogMessage << "Time breakdown "<<std::endl;
+	std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tLinalg     " << LinalgTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tPrecChange " << PrecChangeTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tPrecChange avg time " << PrecChangeTimer.Elapsed()/(2*l+1) <<std::endl;
+
+	
+	IterationsToComplete = k;	
+	ReliableUpdatesPerformed = l;
+	  
+	if(DoFinalCleanup){
+	  //Do a final CG to cleanup
+	  std::cout << GridLogMessage << "ConjugateGradientReliableUpdate performing final cleanup.\n";
+	  ConjugateGradient<FieldD> CG(Tolerance,MaxIterations);
+	  CG.ErrorOnNoConverge = ErrorOnNoConverge;
+	  CG(Linop_d,src,psi);
+	  IterationsToCleanup = CG.IterationsToComplete;
+	}
+	else if (ErrorOnNoConverge) assert(true_residual / Tolerance < 10000.0);
+
+	std::cout << GridLogMessage << "ConjugateGradientReliableUpdate complete.\n";
+	return;
+      }
+      else if(cp < Delta * MaxResidSinceLastRelUp) { //reliable update
+	std::cout << GridLogMessage << "ConjugateGradientReliableUpdate "
+		  << cp << "(residual) < " << Delta << "(Delta) * " << MaxResidSinceLastRelUp << "(MaxResidSinceLastRelUp) on iteration " << k << " : performing reliable update\n";
+	PrecChangeTimer.Start();
+	precisionChange(mmp, psi_f, pc_wk_sp_to_dp);
+	PrecChangeTimer.Stop();
+	psi = psi + mmp;
+
+	MatrixTimer.Start();
+	Linop_d.HermOpAndNorm(psi, mmp, d, qq);
+	MatrixTimer.Stop();
+	
+	r = src - mmp;
+
+	psi_f = Zero();
+	PrecChangeTimer.Start();
+	precisionChange(r_f, r, pc_wk_dp_to_sp);
+	PrecChangeTimer.Stop();
+	cp = norm2(r);
+	MaxResidSinceLastRelUp = cp;
+
+	b = cp/c;
+	  
+	std::cout << GridLogMessage << "ConjugateGradientReliableUpdate new residual " << cp << std::endl;
+	  
+	l = l+1;
+      }
+
+      p_f = p_f * b + r_f; //update search vector after reliable update appears to help convergence
+
+      if(!using_fallback && Linop_fallback != NULL && cp < fallback_transition_tol){
+	std::cout << GridLogMessage << "ConjugateGradientReliableUpdate switching to fallback linear operator on iteration " << k << " at residual " << cp << std::endl;
+	Linop_f_use = Linop_fallback;
+	using_fallback = true;
+      }
+
+	
+    }
+    std::cout << GridLogMessage << "ConjugateGradientReliableUpdate did NOT converge"
+	      << std::endl;
+      
+    if (ErrorOnNoConverge) assert(0);
+    IterationsToComplete = k;
+    ReliableUpdatesPerformed = l;      
+  }    
 };
 
 
+NAMESPACE_END(Grid);
+
+
 
 #endif

Grid/algorithms/iterative/ConjugateResidual.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -24,88 +24,90 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_CONJUGATE_RESIDUAL_H
 #define GRID_CONJUGATE_RESIDUAL_H
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-    /////////////////////////////////////////////////////////////
-    // Base classes for iterative processes based on operators
-    // single input vec, single output vec.
-    /////////////////////////////////////////////////////////////
+/////////////////////////////////////////////////////////////
+// Base classes for iterative processes based on operators
+// single input vec, single output vec.
+/////////////////////////////////////////////////////////////
 
-  template<class Field> 
-    class ConjugateResidual : public OperatorFunction<Field> {
-  public:                                                
-    RealD   Tolerance;
-    Integer MaxIterations;
-    int verbose;
+template<class Field> 
+class ConjugateResidual : public OperatorFunction<Field> {
+public:                                                
+  using OperatorFunction<Field>::operator();
 
-    ConjugateResidual(RealD tol,Integer maxit) : Tolerance(tol), MaxIterations(maxit) { 
-      verbose=0;
-    };
+  RealD   Tolerance;
+  Integer MaxIterations;
+  int verbose;
 
-    void operator() (LinearOperatorBase<Field> &Linop,const Field &src, Field &psi){
+  ConjugateResidual(RealD tol,Integer maxit) : Tolerance(tol), MaxIterations(maxit) { 
+    verbose=0;
+  };
 
-      RealD a, b, c, d;
-      RealD cp, ssq,rsq;
+  void operator() (LinearOperatorBase<Field> &Linop,const Field &src, Field &psi){
+
+    RealD a, b; // c, d;
+    RealD cp, ssq,rsq;
       
-      RealD rAr, rAAr, rArp;
-      RealD pAp, pAAp;
+    RealD rAr, rAAr, rArp;
+    RealD pAp, pAAp;
 
-      GridBase *grid = src._grid;
-      psi=zero;
-      Field r(grid),  p(grid), Ap(grid), Ar(grid);
+    GridBase *grid = src.Grid();
+    psi=Zero();
+    Field r(grid),  p(grid), Ap(grid), Ar(grid);
       
-      r=src;
-      p=src;
+    r=src;
+    p=src;
+
+    Linop.HermOpAndNorm(p,Ap,pAp,pAAp);
+    Linop.HermOpAndNorm(r,Ar,rAr,rAAr);
+
+    cp =norm2(r);
+    ssq=norm2(src);
+    rsq=Tolerance*Tolerance*ssq;
+
+    if (verbose) std::cout<<GridLogMessage<<"ConjugateResidual: iteration " <<0<<" residual "<<cp<< " target"<< rsq<<std::endl;
+
+    for(int k=1;k<MaxIterations;k++){
+
+      a = rAr/pAAp;
+
+      axpy(psi,a,p,psi);
+
+      cp = axpy_norm(r,-a,Ap,r);
+
+      rArp=rAr;
 
-      Linop.HermOpAndNorm(p,Ap,pAp,pAAp);
       Linop.HermOpAndNorm(r,Ar,rAr,rAAr);
 
-      cp =norm2(r);
-      ssq=norm2(src);
-      rsq=Tolerance*Tolerance*ssq;
-
-      if (verbose) std::cout<<GridLogMessage<<"ConjugateResidual: iteration " <<0<<" residual "<<cp<< " target"<< rsq<<std::endl;
-
-      for(int k=1;k<MaxIterations;k++){
-
-	a = rAr/pAAp;
-
-	axpy(psi,a,p,psi);
-
-	cp = axpy_norm(r,-a,Ap,r);
-
-	rArp=rAr;
-
-	Linop.HermOpAndNorm(r,Ar,rAr,rAAr);
-
-	b   =rAr/rArp;
+      b   =rAr/rArp;
  
-	axpy(p,b,p,r);
-	pAAp=axpy_norm(Ap,b,Ap,Ar);
+      axpy(p,b,p,r);
+      pAAp=axpy_norm(Ap,b,Ap,Ar);
 	
-	if(verbose) std::cout<<GridLogMessage<<"ConjugateResidual: iteration " <<k<<" residual "<<cp<< " target"<< rsq<<std::endl;
-
-	if(cp<rsq) {
-	  Linop.HermOp(psi,Ap);
-	  axpy(r,-1.0,src,Ap);
-	  RealD true_resid = norm2(r)/ssq;
-	  std::cout<<GridLogMessage<<"ConjugateResidual: Converged on iteration " <<k
-		   << " computed residual "<<sqrt(cp/ssq)
-	           << " true residual "<<sqrt(true_resid)
-	           << " target "       <<Tolerance <<std::endl;
-	  return;
-	}
+      if(verbose) std::cout<<GridLogMessage<<"ConjugateResidual: iteration " <<k<<" residual "<<cp<< " target"<< rsq<<std::endl;
 
+      if(cp<rsq) {
+	Linop.HermOp(psi,Ap);
+	axpy(r,-1.0,src,Ap);
+	RealD true_resid = norm2(r)/ssq;
+	std::cout<<GridLogMessage<<"ConjugateResidual: Converged on iteration " <<k
+		 << " computed residual "<<std::sqrt(cp/ssq)
+		 << " true residual "<<std::sqrt(true_resid)
+		 << " target "       <<Tolerance <<std::endl;
+	return;
       }
 
-      std::cout<<GridLogMessage<<"ConjugateResidual did NOT converge"<<std::endl;
-      assert(0);
     }
-  };
-}
+
+    std::cout<<GridLogMessage<<"ConjugateResidual did NOT converge"<<std::endl;
+    assert(0);
+  }
+};
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/iterative/Deflation.h

@@ -33,12 +33,19 @@ namespace Grid {
 template<class Field>
 class ZeroGuesser: public LinearFunction<Field> {
 public:
-  virtual void operator()(const Field &src, Field &guess) { guess = zero; };
+  using LinearFunction<Field>::operator();
+    virtual void operator()(const Field &src, Field &guess) { guess = Zero(); };
+};
+template<class Field>
+class DoNothingGuesser: public LinearFunction<Field> {
+public:
+  using LinearFunction<Field>::operator();
+  virtual void operator()(const Field &src, Field &guess) {  };
 };
-
 template<class Field>
 class SourceGuesser: public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
   virtual void operator()(const Field &src, Field &guess) { guess = src; };
 };
 
@@ -50,20 +57,29 @@ class DeflatedGuesser: public LinearFunction<Field> {
 private:
   const std::vector<Field> &evec;
   const std::vector<RealD> &eval;
+  const unsigned int       N;
 
 public:
+  using LinearFunction<Field>::operator();
 
-  DeflatedGuesser(const std::vector<Field> & _evec,const std::vector<RealD> & _eval) : evec(_evec), eval(_eval) {};
+  DeflatedGuesser(const std::vector<Field> & _evec,const std::vector<RealD> & _eval)
+  : DeflatedGuesser(_evec, _eval, _evec.size())
+  {}
+
+  DeflatedGuesser(const std::vector<Field> & _evec, const std::vector<RealD> & _eval, const unsigned int _N)
+  : evec(_evec), eval(_eval), N(_N)
+  {
+    assert(evec.size()==eval.size());
+    assert(N <= evec.size());
+  } 
 
   virtual void operator()(const Field &src,Field &guess) {
-    guess = zero;
-    assert(evec.size()==eval.size());
-    auto N = evec.size();
+    guess = Zero();
     for (int i=0;i<N;i++) {
       const Field& tmp = evec[i];
       axpy(guess,TensorRemove(innerProduct(tmp,src)) / eval[i],tmp,guess);
     }
-    guess.checkerboard = src.checkerboard;
+    guess.Checkerboard() = src.Checkerboard();
   }
 };
 
@@ -75,6 +91,7 @@ private:
   const std::vector<RealD>       &eval_coarse;
 public:
   
+  using LinearFunction<FineField>::operator();
   LocalCoherenceDeflatedGuesser(const std::vector<FineField>   &_subspace,
 				const std::vector<CoarseField> &_evec_coarse,
 				const std::vector<RealD>       &_eval_coarse)
@@ -86,17 +103,53 @@ public:
   
   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;
+    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;
+    guess.Checkerboard() = src.Checkerboard();
+  };
+
+  void operator()(const std::vector<FineField> &src,std::vector<FineField> &guess) {
+    int Nevec = (int)evec_coarse.size();
+    int Nsrc = (int)src.size();
+    // make temp variables
+    std::vector<CoarseField> src_coarse(Nsrc,evec_coarse[0].Grid());
+    std::vector<CoarseField> guess_coarse(Nsrc,evec_coarse[0].Grid());    
+    //Preporcessing
+    std::cout << GridLogMessage << "Start BlockProject for loop" << std::endl;
+    for (int j=0;j<Nsrc;j++)
+    {
+    guess_coarse[j] = Zero();
+    std::cout << GridLogMessage << "BlockProject iter: " << j << std::endl;
+    blockProject(src_coarse[j],src[j],subspace);
+    }
+    //deflation set up for eigen vector batchsize 1 and source batch size equal number of sources
+    std::cout << GridLogMessage << "Start ProjectAccum for loop" << std::endl;
+    for (int i=0;i<Nevec;i++)
+    {
+      std::cout << GridLogMessage << "ProjectAccum Nvec: " << i << std::endl;
+      const CoarseField & tmp = evec_coarse[i];
+      for (int j=0;j<Nsrc;j++)
+      {
+        axpy(guess_coarse[j],TensorRemove(innerProduct(tmp,src_coarse[j])) / eval_coarse[i],tmp,guess_coarse[j]);
+      }
+    }
+    //postprocessing
+    std::cout << GridLogMessage << "Start BlockPromote for loop" << std::endl;
+    for (int j=0;j<Nsrc;j++)
+    {
+    std::cout << GridLogMessage << "BlockProject iter: " << j << std::endl;
+    blockPromote(guess_coarse[j],guess[j],subspace);
+    guess[j].Checkerboard() = src[j].Checkerboard();
+    }
+  };
+
   };
-};
 
 
 

Grid/algorithms/iterative/FlexibleCommunicationAvoidingGeneralisedMinimalResidual.h

@@ -0,0 +1,258 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/FlexibleCommunicationAvoidingGeneralisedMinimalResidual.h
+
+Copyright (C) 2015
+
+Author: Daniel Richtmann <daniel.richtmann@ur.de>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_FLEXIBLE_COMMUNICATION_AVOIDING_GENERALISED_MINIMAL_RESIDUAL_H
+#define GRID_FLEXIBLE_COMMUNICATION_AVOIDING_GENERALISED_MINIMAL_RESIDUAL_H
+
+namespace Grid {
+
+template<class Field>
+class FlexibleCommunicationAvoidingGeneralisedMinimalResidual : public OperatorFunction<Field> {
+ public:
+  using OperatorFunction<Field>::operator();
+
+  bool ErrorOnNoConverge; // Throw an assert when FCAGMRES fails to converge,
+                          // defaults to true
+
+  RealD   Tolerance;
+
+  Integer MaxIterations;
+  Integer RestartLength;
+  Integer MaxNumberOfRestarts;
+  Integer IterationCount; // Number of iterations the FCAGMRES took to finish,
+                          // filled in upon completion
+
+  GridStopWatch MatrixTimer;
+  GridStopWatch PrecTimer;
+  GridStopWatch LinalgTimer;
+  GridStopWatch QrTimer;
+  GridStopWatch CompSolutionTimer;
+
+  Eigen::MatrixXcd H;
+
+  std::vector<ComplexD> y;
+  std::vector<ComplexD> gamma;
+  std::vector<ComplexD> c;
+  std::vector<ComplexD> s;
+
+  LinearFunction<Field> &Preconditioner;
+
+  FlexibleCommunicationAvoidingGeneralisedMinimalResidual(RealD   tol,
+                                                          Integer maxit,
+                                                          LinearFunction<Field> &Prec,
+                                                          Integer restart_length,
+                                                          bool    err_on_no_conv = true)
+      : Tolerance(tol)
+      , MaxIterations(maxit)
+      , RestartLength(restart_length)
+      , MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
+      , ErrorOnNoConverge(err_on_no_conv)
+      , H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
+      , y(RestartLength + 1, 0.)
+      , gamma(RestartLength + 1, 0.)
+      , c(RestartLength + 1, 0.)
+      , s(RestartLength + 1, 0.)
+      , Preconditioner(Prec) {};
+
+  void operator()(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi) {
+
+    std::cout << GridLogWarning << "This algorithm currently doesn't differ from regular FGMRES" << std::endl;
+
+    psi.Checkerboard() = src.Checkerboard();
+    conformable(psi, src);
+
+    RealD guess = norm2(psi);
+    assert(std::isnan(guess) == 0);
+
+    RealD cp;
+    RealD ssq = norm2(src);
+    RealD rsq = Tolerance * Tolerance * ssq;
+
+    Field r(src.Grid());
+
+    std::cout << std::setprecision(4) << std::scientific;
+    std::cout << GridLogIterative << "FlexibleCommunicationAvoidingGeneralisedMinimalResidual: guess " << guess << std::endl;
+    std::cout << GridLogIterative << "FlexibleCommunicationAvoidingGeneralisedMinimalResidual:   src " << ssq   << std::endl;
+
+    PrecTimer.Reset();
+    MatrixTimer.Reset();
+    LinalgTimer.Reset();
+    QrTimer.Reset();
+    CompSolutionTimer.Reset();
+
+    GridStopWatch SolverTimer;
+    SolverTimer.Start();
+
+    IterationCount = 0;
+
+    for (int k=0; k<MaxNumberOfRestarts; k++) {
+
+      cp = outerLoopBody(LinOp, src, psi, rsq);
+
+      // Stopping condition
+      if (cp <= rsq) {
+
+        SolverTimer.Stop();
+
+        LinOp.Op(psi,r);
+        axpy(r,-1.0,src,r);
+
+        RealD srcnorm       = sqrt(ssq);
+        RealD resnorm       = sqrt(norm2(r));
+        RealD true_residual = resnorm / srcnorm;
+
+        std::cout << GridLogMessage        << "FlexibleCommunicationAvoidingGeneralisedMinimalResidual: Converged on iteration " << IterationCount
+                  << " computed residual " << sqrt(cp / ssq)
+                  << " true residual "     << true_residual
+                  << " target "            << Tolerance << std::endl;
+
+        std::cout << GridLogMessage << "FCAGMRES Time elapsed: Total   " <<       SolverTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FCAGMRES Time elapsed: Precon  " <<         PrecTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FCAGMRES Time elapsed: Matrix  " <<       MatrixTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FCAGMRES Time elapsed: Linalg  " <<       LinalgTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FCAGMRES Time elapsed: QR      " <<           QrTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FCAGMRES Time elapsed: CompSol " << CompSolutionTimer.Elapsed() << std::endl;
+        return;
+      }
+    }
+
+    std::cout << GridLogMessage << "FlexibleCommunicationAvoidingGeneralisedMinimalResidual did NOT converge" << std::endl;
+
+    if (ErrorOnNoConverge)
+      assert(0);
+  }
+
+  RealD outerLoopBody(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi, RealD rsq) {
+
+    RealD cp = 0;
+
+    Field w(src.Grid());
+    Field r(src.Grid());
+
+    // these should probably be made class members so that they are only allocated once, not in every restart
+    std::vector<Field> v(RestartLength + 1, src.Grid()); for (auto &elem : v) elem = Zero();
+    std::vector<Field> z(RestartLength + 1, src.Grid()); for (auto &elem : z) elem = Zero();
+
+    MatrixTimer.Start();
+    LinOp.Op(psi, w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    r = src - w;
+
+    gamma[0] = sqrt(norm2(r));
+
+    v[0] = (1. / gamma[0]) * r;
+    LinalgTimer.Stop();
+
+    for (int i=0; i<RestartLength; i++) {
+
+      IterationCount++;
+
+      arnoldiStep(LinOp, v, z, w, i);
+
+      qrUpdate(i);
+
+      cp = norm(gamma[i+1]);
+
+      std::cout << GridLogIterative << "FlexibleCommunicationAvoidingGeneralisedMinimalResidual: Iteration " << IterationCount
+                << " residual " << cp << " target " << rsq << std::endl;
+
+      if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
+
+        computeSolution(z, psi, i);
+
+        return cp;
+      }
+    }
+
+    assert(0); // Never reached
+    return cp;
+  }
+
+  void arnoldiStep(LinearOperatorBase<Field> &LinOp, std::vector<Field> &v, std::vector<Field> &z, Field &w, int iter) {
+
+    PrecTimer.Start();
+    Preconditioner(v[iter], z[iter]);
+    PrecTimer.Stop();
+
+    MatrixTimer.Start();
+    LinOp.Op(z[iter], w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    for (int i = 0; i <= iter; ++i) {
+      H(iter, i) = innerProduct(v[i], w);
+      w = w - ComplexD(H(iter, i)) * v[i];
+    }
+
+    H(iter, iter + 1) = sqrt(norm2(w));
+    v[iter + 1] = ComplexD(1. / H(iter, iter + 1)) * w;
+    LinalgTimer.Stop();
+  }
+
+  void qrUpdate(int iter) {
+
+    QrTimer.Start();
+    for (int i = 0; i < iter ; ++i) {
+      auto tmp       = -s[i] * ComplexD(H(iter, i)) + c[i] * ComplexD(H(iter, i + 1));
+      H(iter, i)     = conjugate(c[i]) * ComplexD(H(iter, i)) + conjugate(s[i]) * ComplexD(H(iter, i + 1));
+      H(iter, i + 1) = tmp;
+    }
+
+    // Compute new Givens Rotation
+    auto nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
+    c[iter]     = H(iter, iter) / nu;
+    s[iter]     = H(iter, iter + 1) / nu;
+
+    // Apply new Givens rotation
+    H(iter, iter)     = nu;
+    H(iter, iter + 1) = 0.;
+
+    gamma[iter + 1] = -s[iter] * gamma[iter];
+    gamma[iter]     = conjugate(c[iter]) * gamma[iter];
+    QrTimer.Stop();
+  }
+
+  void computeSolution(std::vector<Field> const &z, Field &psi, int iter) {
+
+    CompSolutionTimer.Start();
+    for (int i = iter; i >= 0; i--) {
+      y[i] = gamma[i];
+      for (int k = i + 1; k <= iter; k++)
+        y[i] = y[i] - ComplexD(H(k, i)) * y[k];
+      y[i] = y[i] / ComplexD(H(i, i));
+    }
+
+    for (int i = 0; i <= iter; i++)
+      psi = psi + z[i] * y[i];
+    CompSolutionTimer.Stop();
+  }
+};
+}
+#endif

Grid/algorithms/iterative/FlexibleGeneralisedMinimalResidual.h

@@ -0,0 +1,256 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/FlexibleGeneralisedMinimalResidual.h
+
+Copyright (C) 2015
+
+Author: Daniel Richtmann <daniel.richtmann@ur.de>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
+#define GRID_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
+
+namespace Grid {
+
+template<class Field>
+class FlexibleGeneralisedMinimalResidual : public OperatorFunction<Field> {
+ public:
+  using OperatorFunction<Field>::operator();
+
+  bool ErrorOnNoConverge; // Throw an assert when FGMRES fails to converge,
+                          // defaults to true
+
+  RealD   Tolerance;
+
+  Integer MaxIterations;
+  Integer RestartLength;
+  Integer MaxNumberOfRestarts;
+  Integer IterationCount; // Number of iterations the FGMRES took to finish,
+                          // filled in upon completion
+
+  GridStopWatch MatrixTimer;
+  GridStopWatch PrecTimer;
+  GridStopWatch LinalgTimer;
+  GridStopWatch QrTimer;
+  GridStopWatch CompSolutionTimer;
+
+  Eigen::MatrixXcd H;
+
+  std::vector<ComplexD> y;
+  std::vector<ComplexD> gamma;
+  std::vector<ComplexD> c;
+  std::vector<ComplexD> s;
+
+  LinearFunction<Field> &Preconditioner;
+
+  FlexibleGeneralisedMinimalResidual(RealD   tol,
+                                     Integer maxit,
+                                     LinearFunction<Field> &Prec,
+                                     Integer restart_length,
+                                     bool    err_on_no_conv = true)
+      : Tolerance(tol)
+      , MaxIterations(maxit)
+      , RestartLength(restart_length)
+      , MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
+      , ErrorOnNoConverge(err_on_no_conv)
+      , H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
+      , y(RestartLength + 1, 0.)
+      , gamma(RestartLength + 1, 0.)
+      , c(RestartLength + 1, 0.)
+      , s(RestartLength + 1, 0.)
+      , Preconditioner(Prec) {};
+
+  void operator()(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi) {
+
+    psi.Checkerboard() = src.Checkerboard();
+    conformable(psi, src);
+
+    RealD guess = norm2(psi);
+    assert(std::isnan(guess) == 0);
+
+    RealD cp;
+    RealD ssq = norm2(src);
+    RealD rsq = Tolerance * Tolerance * ssq;
+
+    Field r(src.Grid());
+
+    std::cout << std::setprecision(4) << std::scientific;
+    std::cout << GridLogIterative << "FlexibleGeneralisedMinimalResidual: guess " << guess << std::endl;
+    std::cout << GridLogIterative << "FlexibleGeneralisedMinimalResidual:   src " << ssq   << std::endl;
+
+    PrecTimer.Reset();
+    MatrixTimer.Reset();
+    LinalgTimer.Reset();
+    QrTimer.Reset();
+    CompSolutionTimer.Reset();
+
+    GridStopWatch SolverTimer;
+    SolverTimer.Start();
+
+    IterationCount = 0;
+
+    for (int k=0; k<MaxNumberOfRestarts; k++) {
+
+      cp = outerLoopBody(LinOp, src, psi, rsq);
+
+      // Stopping condition
+      if (cp <= rsq) {
+
+        SolverTimer.Stop();
+
+        LinOp.Op(psi,r);
+        axpy(r,-1.0,src,r);
+
+        RealD srcnorm       = sqrt(ssq);
+        RealD resnorm       = sqrt(norm2(r));
+        RealD true_residual = resnorm / srcnorm;
+
+        std::cout << GridLogMessage        << "FlexibleGeneralisedMinimalResidual: Converged on iteration " << IterationCount
+                  << " computed residual " << sqrt(cp / ssq)
+                  << " true residual "     << true_residual
+                  << " target "            << Tolerance << std::endl;
+
+        std::cout << GridLogMessage << "FGMRES Time elapsed: Total   " <<       SolverTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FGMRES Time elapsed: Precon  " <<         PrecTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FGMRES Time elapsed: Matrix  " <<       MatrixTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FGMRES Time elapsed: Linalg  " <<       LinalgTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FGMRES Time elapsed: QR      " <<           QrTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FGMRES Time elapsed: CompSol " << CompSolutionTimer.Elapsed() << std::endl;
+        return;
+      }
+    }
+
+    std::cout << GridLogMessage << "FlexibleGeneralisedMinimalResidual did NOT converge" << std::endl;
+
+    if (ErrorOnNoConverge)
+      assert(0);
+  }
+
+  RealD outerLoopBody(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi, RealD rsq) {
+
+    RealD cp = 0;
+
+    Field w(src.Grid());
+    Field r(src.Grid());
+
+    // these should probably be made class members so that they are only allocated once, not in every restart
+    std::vector<Field> v(RestartLength + 1, src.Grid()); for (auto &elem : v) elem = Zero();
+    std::vector<Field> z(RestartLength + 1, src.Grid()); for (auto &elem : z) elem = Zero();
+
+    MatrixTimer.Start();
+    LinOp.Op(psi, w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    r = src - w;
+
+    gamma[0] = sqrt(norm2(r));
+
+    v[0] = (1. / gamma[0]) * r;
+    LinalgTimer.Stop();
+
+    for (int i=0; i<RestartLength; i++) {
+
+      IterationCount++;
+
+      arnoldiStep(LinOp, v, z, w, i);
+
+      qrUpdate(i);
+
+      cp = norm(gamma[i+1]);
+
+      std::cout << GridLogIterative << "FlexibleGeneralisedMinimalResidual: Iteration " << IterationCount
+                << " residual " << cp << " target " << rsq << std::endl;
+
+      if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
+
+        computeSolution(z, psi, i);
+
+        return cp;
+      }
+    }
+
+    assert(0); // Never reached
+    return cp;
+  }
+
+  void arnoldiStep(LinearOperatorBase<Field> &LinOp, std::vector<Field> &v, std::vector<Field> &z, Field &w, int iter) {
+
+    PrecTimer.Start();
+    Preconditioner(v[iter], z[iter]);
+    PrecTimer.Stop();
+
+    MatrixTimer.Start();
+    LinOp.Op(z[iter], w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    for (int i = 0; i <= iter; ++i) {
+      H(iter, i) = innerProduct(v[i], w);
+      w = w - ComplexD(H(iter, i)) * v[i];
+    }
+
+    H(iter, iter + 1) = sqrt(norm2(w));
+    v[iter + 1] = ComplexD(1. / H(iter, iter + 1)) * w;
+    LinalgTimer.Stop();
+  }
+
+  void qrUpdate(int iter) {
+
+    QrTimer.Start();
+    for (int i = 0; i < iter ; ++i) {
+      auto tmp       = -s[i] * ComplexD(H(iter, i)) + c[i] * ComplexD(H(iter, i + 1));
+      H(iter, i)     = conjugate(c[i]) * ComplexD(H(iter, i)) + conjugate(s[i]) * ComplexD(H(iter, i + 1));
+      H(iter, i + 1) = tmp;
+    }
+
+    // Compute new Givens Rotation
+    auto nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
+    c[iter]     = H(iter, iter) / nu;
+    s[iter]     = H(iter, iter + 1) / nu;
+
+    // Apply new Givens rotation
+    H(iter, iter)     = nu;
+    H(iter, iter + 1) = 0.;
+
+    gamma[iter + 1] = -s[iter] * gamma[iter];
+    gamma[iter]     = conjugate(c[iter]) * gamma[iter];
+    QrTimer.Stop();
+  }
+
+  void computeSolution(std::vector<Field> const &z, Field &psi, int iter) {
+
+    CompSolutionTimer.Start();
+    for (int i = iter; i >= 0; i--) {
+      y[i] = gamma[i];
+      for (int k = i + 1; k <= iter; k++)
+        y[i] = y[i] - ComplexD(H(k, i)) * y[k];
+      y[i] = y[i] / ComplexD(H(i, i));
+    }
+
+    for (int i = 0; i <= iter; i++)
+      psi = psi + z[i] * y[i];
+    CompSolutionTimer.Stop();
+  }
+};
+}
+#endif

Grid/algorithms/iterative/GeneralisedMinimalResidual.h

@@ -0,0 +1,244 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/GeneralisedMinimalResidual.h
+
+Copyright (C) 2015
+
+Author: Daniel Richtmann <daniel.richtmann@ur.de>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_GENERALISED_MINIMAL_RESIDUAL_H
+#define GRID_GENERALISED_MINIMAL_RESIDUAL_H
+
+namespace Grid {
+
+template<class Field>
+class GeneralisedMinimalResidual : public OperatorFunction<Field> {
+ public:
+  using OperatorFunction<Field>::operator();
+
+  bool ErrorOnNoConverge; // Throw an assert when GMRES fails to converge,
+                          // defaults to true
+
+  RealD   Tolerance;
+
+  Integer MaxIterations;
+  Integer RestartLength;
+  Integer MaxNumberOfRestarts;
+  Integer IterationCount; // Number of iterations the GMRES took to finish,
+                          // filled in upon completion
+
+  GridStopWatch MatrixTimer;
+  GridStopWatch LinalgTimer;
+  GridStopWatch QrTimer;
+  GridStopWatch CompSolutionTimer;
+
+  Eigen::MatrixXcd H;
+
+  std::vector<ComplexD> y;
+  std::vector<ComplexD> gamma;
+  std::vector<ComplexD> c;
+  std::vector<ComplexD> s;
+
+  GeneralisedMinimalResidual(RealD   tol,
+                             Integer maxit,
+                             Integer restart_length,
+                             bool    err_on_no_conv = true)
+      : Tolerance(tol)
+      , MaxIterations(maxit)
+      , RestartLength(restart_length)
+      , MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
+      , ErrorOnNoConverge(err_on_no_conv)
+      , H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
+      , y(RestartLength + 1, 0.)
+      , gamma(RestartLength + 1, 0.)
+      , c(RestartLength + 1, 0.)
+      , s(RestartLength + 1, 0.) {};
+
+  void operator()(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi) {
+
+    psi.Checkerboard() = src.Checkerboard();
+    conformable(psi, src);
+
+    RealD guess = norm2(psi);
+    assert(std::isnan(guess) == 0);
+
+    RealD cp;
+    RealD ssq = norm2(src);
+    RealD rsq = Tolerance * Tolerance * ssq;
+
+    Field r(src.Grid());
+
+    std::cout << std::setprecision(4) << std::scientific;
+    std::cout << GridLogIterative << "GeneralisedMinimalResidual: guess " << guess << std::endl;
+    std::cout << GridLogIterative << "GeneralisedMinimalResidual:   src " << ssq   << std::endl;
+
+    MatrixTimer.Reset();
+    LinalgTimer.Reset();
+    QrTimer.Reset();
+    CompSolutionTimer.Reset();
+
+    GridStopWatch SolverTimer;
+    SolverTimer.Start();
+
+    IterationCount = 0;
+
+    for (int k=0; k<MaxNumberOfRestarts; k++) {
+
+      cp = outerLoopBody(LinOp, src, psi, rsq);
+
+      // Stopping condition
+      if (cp <= rsq) {
+
+        SolverTimer.Stop();
+
+        LinOp.Op(psi,r);
+        axpy(r,-1.0,src,r);
+
+        RealD srcnorm       = sqrt(ssq);
+        RealD resnorm       = sqrt(norm2(r));
+        RealD true_residual = resnorm / srcnorm;
+
+        std::cout << GridLogMessage        << "GeneralisedMinimalResidual: Converged on iteration " << IterationCount
+                  << " computed residual " << sqrt(cp / ssq)
+                  << " true residual "     << true_residual
+                  << " target "            << Tolerance << std::endl;
+
+        std::cout << GridLogMessage << "GMRES Time elapsed: Total   " <<       SolverTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "GMRES Time elapsed: Matrix  " <<       MatrixTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "GMRES Time elapsed: Linalg  " <<       LinalgTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "GMRES Time elapsed: QR      " <<           QrTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "GMRES Time elapsed: CompSol " << CompSolutionTimer.Elapsed() << std::endl;
+        return;
+      }
+    }
+
+    std::cout << GridLogMessage << "GeneralisedMinimalResidual did NOT converge" << std::endl;
+
+    if (ErrorOnNoConverge)
+      assert(0);
+  }
+
+  RealD outerLoopBody(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi, RealD rsq) {
+
+    RealD cp = 0;
+
+    Field w(src.Grid());
+    Field r(src.Grid());
+
+    // this should probably be made a class member so that it is only allocated once, not in every restart
+    std::vector<Field> v(RestartLength + 1, src.Grid()); for (auto &elem : v) elem = Zero();
+
+    MatrixTimer.Start();
+    LinOp.Op(psi, w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    r = src - w;
+
+    gamma[0] = sqrt(norm2(r));
+
+    v[0] = (1. / gamma[0]) * r;
+    LinalgTimer.Stop();
+
+    for (int i=0; i<RestartLength; i++) {
+
+      IterationCount++;
+
+      arnoldiStep(LinOp, v, w, i);
+
+      qrUpdate(i);
+
+      cp = norm(gamma[i+1]);
+
+      std::cout << GridLogIterative << "GeneralisedMinimalResidual: Iteration " << IterationCount
+                << " residual " << cp << " target " << rsq << std::endl;
+
+      if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
+
+        computeSolution(v, psi, i);
+
+        return cp;
+      }
+    }
+
+    assert(0); // Never reached
+    return cp;
+  }
+
+  void arnoldiStep(LinearOperatorBase<Field> &LinOp, std::vector<Field> &v, Field &w, int iter) {
+
+    MatrixTimer.Start();
+    LinOp.Op(v[iter], w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    for (int i = 0; i <= iter; ++i) {
+      H(iter, i) = innerProduct(v[i], w);
+      w = w - ComplexD(H(iter, i)) * v[i];
+    }
+
+    H(iter, iter + 1) = sqrt(norm2(w));
+    v[iter + 1] = ComplexD(1. / H(iter, iter + 1)) * w;
+    LinalgTimer.Stop();
+  }
+
+  void qrUpdate(int iter) {
+
+    QrTimer.Start();
+    for (int i = 0; i < iter ; ++i) {
+      auto tmp       = -s[i] * ComplexD(H(iter, i)) + c[i] * ComplexD(H(iter, i + 1));
+      H(iter, i)     = conjugate(c[i]) * ComplexD(H(iter, i)) + conjugate(s[i]) * ComplexD(H(iter, i + 1));
+      H(iter, i + 1) = tmp;
+    }
+
+    // Compute new Givens Rotation
+    auto nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
+    c[iter]     = H(iter, iter) / nu;
+    s[iter]     = H(iter, iter + 1) / nu;
+
+    // Apply new Givens rotation
+    H(iter, iter)     = nu;
+    H(iter, iter + 1) = 0.;
+
+    gamma[iter + 1] = -s[iter] * gamma[iter];
+    gamma[iter]     = conjugate(c[iter]) * gamma[iter];
+    QrTimer.Stop();
+  }
+
+  void computeSolution(std::vector<Field> const &v, Field &psi, int iter) {
+
+    CompSolutionTimer.Start();
+    for (int i = iter; i >= 0; i--) {
+      y[i] = gamma[i];
+      for (int k = i + 1; k <= iter; k++)
+        y[i] = y[i] - ComplexD(H(k, i)) * y[k];
+      y[i] = y[i] / ComplexD(H(i, i));
+    }
+
+    for (int i = 0; i <= iter; i++)
+      psi = psi + v[i] * y[i];
+    CompSolutionTimer.Stop();
+  }
+};
+}
+#endif

Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h

@@ -35,120 +35,7 @@ Author: Christoph Lehner <clehner@bnl.gov>
 //#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);
-}
+NAMESPACE_BEGIN(Grid); 
 
 /////////////////////////////////////////////////////////////
 // Implicitly restarted lanczos
@@ -259,7 +146,7 @@ public:
 			    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,
+			    int _MinRestart=0, int _orth_period = 1,
 			    IRLdiagonalisation _diagonalisation= IRLdiagonaliseWithEigen) :
     SimpleTester(HermOp), _PolyOp(PolyOp),      _HermOp(HermOp), _Tester(Tester),
     Nstop(_Nstop)  ,      Nk(_Nk),      Nm(_Nm),
@@ -275,7 +162,7 @@ public:
 			       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,
+			       int _MinRestart=0, int _orth_period = 1,
 			       IRLdiagonalisation _diagonalisation= IRLdiagonaliseWithEigen) :
     SimpleTester(HermOp),  _PolyOp(PolyOp),      _HermOp(HermOp), _Tester(SimpleTester),
     Nstop(_Nstop)  ,      Nk(_Nk),      Nm(_Nm),
@@ -289,7 +176,7 @@ public:
   template<typename T>  static RealD normalise(T& v) 
   {
     RealD nn = norm2(v);
-    nn = sqrt(nn);
+    nn = std::sqrt(nn);
     v = v * (1.0/nn);
     return nn;
   }
@@ -321,10 +208,10 @@ 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);
+    GridBase *grid = src.Grid();
+    assert(grid == evec[0].Grid());
     
-    GridLogIRL.TimingMode(1);
+    //    GridLogIRL.TimingMode(1);
     std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
     std::cout << GridLogIRL <<" ImplicitlyRestartedLanczos::calc() starting iteration 0 /  "<< MaxIter<< std::endl;
     std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
@@ -349,14 +236,17 @@ until convergence
     {
       auto src_n = src;
       auto tmp = src;
+      std::cout << GridLogIRL << " IRL source norm " << norm2(src) << std::endl;
       const int _MAX_ITER_IRL_MEVAPP_ = 50;
       for (int i=0;i<_MAX_ITER_IRL_MEVAPP_;i++) {
 	normalise(src_n);
 	_HermOp(src_n,tmp);
+	//	std::cout << GridLogMessage<< tmp<<std::endl; exit(0);
+	//	std::cout << GridLogIRL << " _HermOp " << norm2(tmp) << std::endl;
 	RealD vnum = real(innerProduct(src_n,tmp)); // HermOp.
 	RealD vden = norm2(src_n);
 	RealD na = vnum/vden;
-	if (fabs(evalMaxApprox/na - 1.0) < 0.05)
+	if (fabs(evalMaxApprox/na - 1.0) < 0.0001)
 	  i=_MAX_ITER_IRL_MEVAPP_;
 	evalMaxApprox = na;
 	std::cout << GridLogIRL << " Approximation of largest eigenvalue: " << evalMaxApprox << std::endl;
@@ -446,7 +336,7 @@ until convergence
       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;
+      std::cout<<GridLogIRL <<"basisRotated  by Qt *"<<k1-1<<","<<k2+1<<")"<<std::endl;
       
       ////////////////////////////////////////////////////
       // Compressed vector f and beta(k2)
@@ -454,7 +344,7 @@ until convergence
       f *= Qt(k2-1,Nm-1);
       f += lme[k2-1] * evec[k2];
       beta_k = norm2(f);
-      beta_k = sqrt(beta_k);
+      beta_k = std::sqrt(beta_k);
       std::cout<<GridLogIRL<<" beta(k) = "<<beta_k<<std::endl;
 	  
       RealD betar = 1.0/beta_k;
@@ -477,7 +367,7 @@ until convergence
 
 	std::cout << GridLogIRL << "Test convergence: rotate subset of vectors to test convergence " << std::endl;
 
-	Field B(grid); B.checkerboard = evec[0].checkerboard;
+	Field B(grid); B.Checkerboard() = evec[0].Checkerboard();
 
 	//  power of two search pattern;  not every evalue in eval2 is assessed.
 	int allconv =1;
@@ -515,7 +405,7 @@ until convergence
 	
   converged:
     {
-      Field B(grid); B.checkerboard = evec[0].checkerboard;
+      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;
@@ -554,11 +444,11 @@ until convergence
 /* 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
+3. wk:=Avk - b_k v_{k-1}      
+4. ak:=(wk,vk)       // 
+5. wk:=wk-akvk       // wk orthog vk 
+6. bk+1 := ||wk||_2. If b_k+1 = 0 then Stop
+7. vk+1 := wk/b_k+1
 8. EndDo
  */
   void step(std::vector<RealD>& lmd,
@@ -566,6 +456,7 @@ until convergence
 	    std::vector<Field>& evec,
 	    Field& w,int Nm,int k)
   {
+    std::cout<<GridLogIRL << "Lanczos step " <<k<<std::endl;
     const RealD tiny = 1.0e-20;
     assert( k< Nm );
 
@@ -577,20 +468,20 @@ until convergence
 
     if(k>0) w -= lme[k-1] * evec[k-1];
 
-    ComplexD zalph = innerProduct(evec_k,w); // 4. αk:=(wk,vk)
+    ComplexD zalph = innerProduct(evec_k,w);
     RealD     alph = real(zalph);
 
-    w = w - alph * evec_k;// 5. wk:=wk−αkvk
+    w = w - alph * evec_k;
 
-    RealD beta = normalise(w); // 6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
-    // 7. vk+1 := wk/βk+1
+    RealD beta = normalise(w); 
 
     lmd[k] = alph;
     lme[k] = beta;
 
-    if (k>0 && k % orth_period == 0) {
+    if ( (k>0) && ( (k % orth_period) == 0 )) {
+      std::cout<<GridLogIRL << "Orthogonalising " <<k<<std::endl;
       orthogonalize(w,evec,k); // orthonormalise
-      std::cout<<GridLogIRL << "Orthogonalised " <<std::endl;
+      std::cout<<GridLogIRL << "Orthogonalised " <<k<<std::endl;
     }
 
     if(k < Nm-1) evec[k+1] = w;
@@ -598,6 +489,8 @@ until convergence
     std::cout<<GridLogIRL << "alpha[" << k << "] = " << zalph << " beta[" << k << "] = "<<beta<<std::endl;
     if ( beta < tiny ) 
       std::cout<<GridLogIRL << " beta is tiny "<<beta<<std::endl;
+
+    std::cout<<GridLogIRL << "Lanczos step complete " <<k<<std::endl;
   }
 
   void diagonalize_Eigen(std::vector<RealD>& lmd, std::vector<RealD>& lme, 
@@ -807,7 +700,7 @@ void diagonalize_QR(std::vector<RealD>& lmd, std::vector<RealD>& lme,
     
     // 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 dd = std::sqrt(dsub*dsub + 4.0*lme[kmax-2]*lme[kmax-2]);
     RealD Dsh = 0.5*(lmd[kmax-2]+lmd[kmax-1] +dd*(dsub/fabs(dsub)));
     // (Dsh: shift)
     
@@ -838,5 +731,6 @@ void diagonalize_QR(std::vector<RealD>& lmd, std::vector<RealD>& lme,
   abort();
 }
 };
-}
+
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/iterative/LocalCoherenceLanczos.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -24,16 +24,15 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_LOCAL_COHERENCE_IRL_H
 #define GRID_LOCAL_COHERENCE_IRL_H
 
-namespace Grid { 
-
+NAMESPACE_BEGIN(Grid); 
 
 struct LanczosParams : Serializable {
- public:
+public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParams,
 				  ChebyParams, Cheby,/*Chebyshev*/
 				  int, Nstop,    /*Vecs in Lanczos must converge Nstop < Nk < Nm*/
@@ -45,8 +44,9 @@ struct LanczosParams : Serializable {
 				  int, MinRes);    // Must restart
 };
 
+//This class is the input parameter class for some testing programs
 struct LocalCoherenceLanczosParams : Serializable {
- public:
+public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(LocalCoherenceLanczosParams,
 				  bool, saveEvecs,
 				  bool, doFine,
@@ -59,7 +59,7 @@ struct LocalCoherenceLanczosParams : Serializable {
 				  RealD        , coarse_relax_tol,
 				  std::vector<int>, blockSize,
 				  std::string, config,
-				  std::vector < std::complex<double>  >, omega,
+				  std::vector < ComplexD  >, omega,
 				  RealD, mass,
 				  RealD, M5);
 };
@@ -68,6 +68,7 @@ struct LocalCoherenceLanczosParams : Serializable {
 template<class Fobj,class CComplex,int nbasis>
 class ProjectedHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
 public:
+  using LinearFunction<Lattice<iVector<CComplex,nbasis > > >::operator();
   typedef iVector<CComplex,nbasis >           CoarseSiteVector;
   typedef Lattice<CoarseSiteVector>           CoarseField;
   typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
@@ -83,14 +84,14 @@ public:
   };
 
   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;
+    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;
+    _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;
   }
 };
@@ -98,6 +99,7 @@ public:
 template<class Fobj,class CComplex,int nbasis>
 class ProjectedFunctionHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
 public:
+  using LinearFunction<Lattice<iVector<CComplex,nbasis > > >::operator();
   typedef iVector<CComplex,nbasis >           CoarseSiteVector;
   typedef Lattice<CoarseSiteVector>           CoarseField;
   typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
@@ -117,12 +119,12 @@ public:
   {  };
 
   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;
+    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;
@@ -133,7 +135,7 @@ public:
 template<class Fobj,class CComplex,int nbasis>
 class ImplicitlyRestartedLanczosSmoothedTester  : public ImplicitlyRestartedLanczosTester<Lattice<iVector<CComplex,nbasis > > >
 {
- public:
+public:
   typedef iVector<CComplex,nbasis >           CoarseSiteVector;
   typedef Lattice<CoarseSiteVector>           CoarseField;
   typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
@@ -142,18 +144,26 @@ class ImplicitlyRestartedLanczosSmoothedTester  : public ImplicitlyRestartedLanc
   LinearFunction<CoarseField> & _Poly;
   OperatorFunction<FineField>   & _smoother;
   LinearOperatorBase<FineField> &_Linop;
-  RealD                          _coarse_relax_tol;
+  RealD                             _coarse_relax_tol;
   std::vector<FineField>        &_subspace;
+
+  int _largestEvalIdxForReport; //The convergence of the LCL is based on the evals of the coarse grid operator, not those of the underlying fine grid operator
+                                //As a result we do not know what the eval range of the fine operator is until the very end, making tuning the Cheby bounds very difficult
+                                //To work around this issue, every restart we separately reconstruct the fine operator eval for the lowest and highest evec and print these
+                                //out alongside the evals of the coarse operator. To do so we need to know the index of the largest eval (i.e. Nstop-1)
+                                //NOTE: If largestEvalIdxForReport=-1 (default) then this is not performed
   
   ImplicitlyRestartedLanczosSmoothedTester(LinearFunction<CoarseField>   &Poly,
 					   OperatorFunction<FineField>   &smoother,
 					   LinearOperatorBase<FineField> &Linop,
 					   std::vector<FineField>        &subspace,
-					   RealD coarse_relax_tol=5.0e3) 
+					   RealD coarse_relax_tol=5.0e3,
+					   int largestEvalIdxForReport=-1) 
     : _smoother(smoother), _Linop(Linop), _Poly(Poly), _subspace(subspace),
-      _coarse_relax_tol(coarse_relax_tol)  
+      _coarse_relax_tol(coarse_relax_tol), _largestEvalIdxForReport(largestEvalIdxForReport)
   {    };
 
+  //evalMaxApprox: approximation of largest eval of the fine Chebyshev operator (suitably wrapped by block projection)
   int TestConvergence(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
   {
     CoarseField v(B);
@@ -176,16 +186,30 @@ class ImplicitlyRestartedLanczosSmoothedTester  : public ImplicitlyRestartedLanc
 	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv
 	     <<std::endl;
 
+    if(_largestEvalIdxForReport != -1 && (j==0 || j==_largestEvalIdxForReport)){
+      std::cout<<GridLogIRL << "Estimating true eval of fine grid operator for eval idx " << j << std::endl;
+      RealD tmp_eval;
+      ReconstructEval(j,eresid,B,tmp_eval,1.0); //don't use evalMaxApprox of coarse operator! (cf below)
+    }
+    
     int conv=0;
     if( (vv<eresid*eresid) ) conv = 1;
     return conv;
   }
-  int ReconstructEval(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
+
+  //This function is called at the end of the coarse grid Lanczos. It promotes the coarse eigenvector 'B' to the fine grid,
+  //applies a smoother to the result then computes the computes the *fine grid* eigenvalue (output as 'eval').
+
+  //evalMaxApprox should be the approximation of the largest eval of the fine Hermop. However when this function is called by IRL it actually passes the largest eval of the *Chebyshev* operator (as this is the max approx used for the TestConvergence above)
+  //As the largest eval of the Chebyshev is typically several orders of magnitude larger this makes the convergence test pass even when it should not.
+  //We therefore ignore evalMaxApprox here and use a value of 1.0 (note this value is already used by TestCoarse)
+  int ReconstructEval(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)  
   {
-    GridBase *FineGrid = _subspace[0]._grid;    
-    int checkerboard   = _subspace[0].checkerboard;
-    FineField fB(FineGrid);fB.checkerboard =checkerboard;
-    FineField fv(FineGrid);fv.checkerboard =checkerboard;
+    evalMaxApprox = 1.0; //cf above
+    GridBase *FineGrid = _subspace[0].Grid();    
+    int checkerboard   = _subspace[0].Checkerboard();
+    FineField fB(FineGrid);fB.Checkerboard() =checkerboard;
+    FineField fv(FineGrid);fv.Checkerboard() =checkerboard;
 
     blockPromote(B,fv,_subspace);  
     
@@ -200,13 +224,13 @@ class ImplicitlyRestartedLanczosSmoothedTester  : public ImplicitlyRestartedLanc
     eval   = vnum/vden;
     fv -= eval*fB;
     RealD vv = norm2(fv) / ::pow(evalMaxApprox,2.0);
-
+    if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
+    
     std::cout.precision(13);
     std::cout<<GridLogIRL  << "[" << std::setw(3)<<j<<"] "
 	     <<"eval = "<<std::setw(25)<< eval << " (" << eval_poly << ")"
-	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv
+	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv << " target " << eresid*eresid
 	     <<std::endl;
-    if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
     if( (vv<eresid*eresid) ) return 1;
     return 0;
   }
@@ -284,6 +308,10 @@ public:
     evals_coarse.resize(0);
   };
 
+  //The block inner product is the inner product on the fine grid locally summed over the blocks
+  //to give a Lattice<Scalar> on the coarse grid. This function orthnormalizes the fine-grid subspace
+  //vectors under the block inner product. This step must be performed after computing the fine grid
+  //eigenvectors and before computing the coarse grid eigenvectors.    
   void Orthogonalise(void ) {
     CoarseScalar InnerProd(_CoarseGrid);
     std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
@@ -305,11 +333,11 @@ public:
     int Nk = nbasis;
     subspace.resize(Nk,_FineGrid);
     subspace[0]=1.0;
-    subspace[0].checkerboard=_checkerboard;
+    subspace[0].Checkerboard()=_checkerboard;
     normalise(subspace[0]);
     PlainHermOp<FineField>    Op(_FineOp);
     for(int k=1;k<Nk;k++){
-      subspace[k].checkerboard=_checkerboard;
+      subspace[k].Checkerboard()=_checkerboard;
       Op(subspace[k-1],subspace[k]);
       normalise(subspace[k]);
     }
@@ -327,6 +355,8 @@ public:
     }
   }
 
+  //While this method serves to check the coarse eigenvectors, it also recomputes the eigenvalues from the smoothed reconstructed eigenvectors
+  //hence the smoother can be tuned after running the coarse Lanczos by using a different smoother here
   void testCoarse(RealD resid,ChebyParams cheby_smooth,RealD relax) 
   {
     assert(evals_fine.size() == nbasis);
@@ -360,7 +390,11 @@ public:
 
     ImplicitlyRestartedLanczos<FineField> IRL(ChebyOp,Op,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
 
-    FineField src(_FineGrid); src=1.0; src.checkerboard = _checkerboard;
+    FineField src(_FineGrid); 
+    typedef typename FineField::scalar_type Scalar;
+    // src=1.0; 
+    src=Scalar(1.0); 
+    src.Checkerboard() = _checkerboard;
 
     int Nconv;
     IRL.calc(evals_fine,subspace,src,Nconv,false);
@@ -371,25 +405,31 @@ public:
     evals_fine.resize(nbasis);
     subspace.resize(nbasis,_FineGrid);
   }
+
+
+  //cheby_op: Parameters of the fine grid Chebyshev polynomial used for the Lanczos acceleration
+  //cheby_smooth: Parameters of a separate Chebyshev polynomial used after the Lanczos has completed to smooth out high frequency noise in the reconstructed fine grid eigenvectors prior to computing the eigenvalue
+  //relax: Reconstructed eigenvectors (post smoothing) are naturally not as precise as true eigenvectors. This factor acts as a multiplier on the stopping condition when determining whether the results satisfy the user provided stopping condition
   void calcCoarse(ChebyParams cheby_op,ChebyParams cheby_smooth,RealD relax,
 		  int Nstop, int Nk, int Nm,RealD resid, 
 		  RealD MaxIt, RealD betastp, int MinRes)
   {
-    Chebyshev<FineField>                          Cheby(cheby_op);
-    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,subspace);
-    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace);
+    Chebyshev<FineField>                          Cheby(cheby_op); //Chebyshev of fine operator on fine grid
+    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,subspace); //Fine operator on coarse grid with intermediate fine grid conversion
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace); //Chebyshev of fine operator on coarse grid with intermediate fine grid conversion
     //////////////////////////////////////////////////////////////////////////////////////////////////
     // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
     //////////////////////////////////////////////////////////////////////////////////////////////////
 
-    Chebyshev<FineField>                                           ChebySmooth(cheby_smooth);
-    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax);
+    Chebyshev<FineField>                                           ChebySmooth(cheby_smooth); //lower order Chebyshev of fine operator on fine grid used to smooth regenerated eigenvectors
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax,Nstop-1); 
 
     evals_coarse.resize(Nm);
     evec_coarse.resize(Nm,_CoarseGrid);
 
     CoarseField src(_CoarseGrid);     src=1.0; 
 
+    //Note the "tester" here is also responsible for generating the fine grid eigenvalues which are output into the "evals_coarse" array
     ImplicitlyRestartedLanczos<CoarseField> IRL(ChebyOp,ChebyOp,ChebySmoothTester,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
     int Nconv=0;
     IRL.calc(evals_coarse,evec_coarse,src,Nconv,false);
@@ -400,7 +440,15 @@ public:
       std::cout << i << " Coarse eval = " << evals_coarse[i]  << std::endl;
     }
   }
+
+  //Get the fine eigenvector 'i' by reconstruction
+  void getFineEvecEval(FineField &evec, RealD &eval, const int i) const{
+    blockPromote(evec_coarse[i],evec,subspace);  
+    eval = evals_coarse[i];
+  }
+    
+    
 };
 
-}
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/iterative/MinimalResidual.h

@@ -0,0 +1,157 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/MinimalResidual.h
+
+Copyright (C) 2015
+
+Author: Daniel Richtmann <daniel.richtmann@ur.de>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_MINIMAL_RESIDUAL_H
+#define GRID_MINIMAL_RESIDUAL_H
+
+namespace Grid {
+
+template<class Field> class MinimalResidual : public OperatorFunction<Field> {
+ public:
+  using OperatorFunction<Field>::operator();
+
+  bool ErrorOnNoConverge; // throw an assert when the MR fails to converge.
+                          // Defaults true.
+  RealD   Tolerance;
+  Integer MaxIterations;
+  RealD   overRelaxParam;
+  Integer IterationsToComplete; // Number of iterations the MR took to finish.
+                                // Filled in upon completion
+
+  MinimalResidual(RealD tol, Integer maxit, Real ovrelparam = 1.0, bool err_on_no_conv = true)
+    : Tolerance(tol), MaxIterations(maxit), overRelaxParam(ovrelparam), ErrorOnNoConverge(err_on_no_conv){};
+
+  void operator()(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi) {
+
+    psi.Checkerboard() = src.Checkerboard();
+    conformable(psi, src);
+
+    ComplexD a, c;
+    RealD    d;
+
+    Field Mr(src);
+    Field r(src);
+
+    // Initial residual computation & set up
+    RealD guess = norm2(psi);
+    assert(std::isnan(guess) == 0);
+
+    RealD ssq = norm2(src);
+    RealD rsq = Tolerance * Tolerance * ssq;
+
+    Linop.Op(psi, Mr);
+
+    r = src - Mr;
+
+    RealD cp = norm2(r);
+
+    std::cout << std::setprecision(4) << std::scientific;
+    std::cout << GridLogIterative << "MinimalResidual: guess " << guess << std::endl;
+    std::cout << GridLogIterative << "MinimalResidual:   src " << ssq << std::endl;
+    std::cout << GridLogIterative << "MinimalResidual:  cp,r " << cp << std::endl;
+
+    if (cp <= rsq) {
+      return;
+    }
+
+    std::cout << GridLogIterative << "MinimalResidual: k=0 residual " << cp << " target " << rsq << std::endl;
+
+    GridStopWatch LinalgTimer;
+    GridStopWatch MatrixTimer;
+    GridStopWatch SolverTimer;
+
+    SolverTimer.Start();
+    int k;
+    for (k = 1; k <= MaxIterations; k++) {
+
+      MatrixTimer.Start();
+      Linop.Op(r, Mr);
+      MatrixTimer.Stop();
+
+      LinalgTimer.Start();
+
+      c = innerProduct(Mr, r);
+
+      d = norm2(Mr);
+
+      a = c / d;
+
+      a = a * overRelaxParam;
+
+      psi = psi + r * a;
+
+      r = r - Mr * a;
+
+      cp = norm2(r);
+
+      LinalgTimer.Stop();
+
+      std::cout << GridLogIterative << "MinimalResidual: Iteration " << k
+                << " residual " << cp << " target " << rsq << std::endl;
+      std::cout << GridLogDebug << "a = " << a << " c = " << c << " d = " << d << std::endl;
+
+      // Stopping condition
+      if (cp <= rsq) {
+        SolverTimer.Stop();
+
+        Linop.Op(psi, Mr);
+        r = src - Mr;
+
+        RealD srcnorm       = sqrt(ssq);
+        RealD resnorm       = sqrt(norm2(r));
+        RealD true_residual = resnorm / srcnorm;
+
+        std::cout << GridLogMessage        << "MinimalResidual Converged on iteration " << k
+                  << " computed residual " << sqrt(cp / ssq)
+                  << " true residual "     << true_residual
+                  << " target "            << Tolerance << std::endl;
+
+        std::cout << GridLogMessage << "MR Time elapsed: Total   " << SolverTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MR Time elapsed: Matrix  " << MatrixTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MR Time elapsed: Linalg  " << LinalgTimer.Elapsed() << std::endl;
+
+        if (ErrorOnNoConverge)
+          assert(true_residual / Tolerance < 10000.0);
+
+        IterationsToComplete = k;
+
+        return;
+      }
+    }
+
+    std::cout << GridLogMessage << "MinimalResidual did NOT converge"
+              << std::endl;
+
+    if (ErrorOnNoConverge)
+      assert(0);
+
+    IterationsToComplete = k;
+  }
+};
+} // namespace Grid
+#endif

Grid/algorithms/iterative/MixedPrecisionFlexibleGeneralisedMinimalResidual.h

@@ -0,0 +1,276 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/MixedPrecisionFlexibleGeneralisedMinimalResidual.h
+
+Copyright (C) 2015
+
+Author: Daniel Richtmann <daniel.richtmann@ur.de>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_MIXED_PRECISION_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
+#define GRID_MIXED_PRECISION_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
+
+namespace Grid {
+
+template<class FieldD, class FieldF, typename std::enable_if<getPrecision<FieldD>::value == 2, int>::type = 0, typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0>
+class MixedPrecisionFlexibleGeneralisedMinimalResidual : public OperatorFunction<FieldD> {
+ public:
+
+  using OperatorFunction<FieldD>::operator();
+
+  bool ErrorOnNoConverge; // Throw an assert when MPFGMRES fails to converge,
+                          // defaults to true
+
+  RealD   Tolerance;
+
+  Integer MaxIterations;
+  Integer RestartLength;
+  Integer MaxNumberOfRestarts;
+  Integer IterationCount; // Number of iterations the MPFGMRES took to finish,
+                          // filled in upon completion
+
+  GridStopWatch MatrixTimer;
+  GridStopWatch PrecTimer;
+  GridStopWatch LinalgTimer;
+  GridStopWatch QrTimer;
+  GridStopWatch CompSolutionTimer;
+  GridStopWatch ChangePrecTimer;
+
+  Eigen::MatrixXcd H;
+
+  std::vector<ComplexD> y;
+  std::vector<ComplexD> gamma;
+  std::vector<ComplexD> c;
+  std::vector<ComplexD> s;
+
+  GridBase* SinglePrecGrid;
+
+  LinearFunction<FieldF> &Preconditioner;
+
+  MixedPrecisionFlexibleGeneralisedMinimalResidual(RealD   tol,
+                                                   Integer maxit,
+                                                   GridBase * sp_grid,
+                                                   LinearFunction<FieldF> &Prec,
+                                                   Integer restart_length,
+                                                   bool    err_on_no_conv = true)
+      : Tolerance(tol)
+      , MaxIterations(maxit)
+      , RestartLength(restart_length)
+      , MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
+      , ErrorOnNoConverge(err_on_no_conv)
+      , H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
+      , y(RestartLength + 1, 0.)
+      , gamma(RestartLength + 1, 0.)
+      , c(RestartLength + 1, 0.)
+      , s(RestartLength + 1, 0.)
+      , SinglePrecGrid(sp_grid)
+      , Preconditioner(Prec) {};
+
+  void operator()(LinearOperatorBase<FieldD> &LinOp, const FieldD &src, FieldD &psi) {
+
+    psi.Checkerboard() = src.Checkerboard();
+    conformable(psi, src);
+
+    RealD guess = norm2(psi);
+    assert(std::isnan(guess) == 0);
+
+    RealD cp;
+    RealD ssq = norm2(src);
+    RealD rsq = Tolerance * Tolerance * ssq;
+
+    FieldD r(src.Grid());
+
+    std::cout << std::setprecision(4) << std::scientific;
+    std::cout << GridLogIterative << "MPFGMRES: guess " << guess << std::endl;
+    std::cout << GridLogIterative << "MPFGMRES:   src " << ssq   << std::endl;
+
+    PrecTimer.Reset();
+    MatrixTimer.Reset();
+    LinalgTimer.Reset();
+    QrTimer.Reset();
+    CompSolutionTimer.Reset();
+    ChangePrecTimer.Reset();
+
+    GridStopWatch SolverTimer;
+    SolverTimer.Start();
+
+    IterationCount = 0;
+
+    for (int k=0; k<MaxNumberOfRestarts; k++) {
+
+      cp = outerLoopBody(LinOp, src, psi, rsq);
+
+      // Stopping condition
+      if (cp <= rsq) {
+
+        SolverTimer.Stop();
+
+        LinOp.Op(psi,r);
+        axpy(r,-1.0,src,r);
+
+        RealD srcnorm       = sqrt(ssq);
+        RealD resnorm       = sqrt(norm2(r));
+        RealD true_residual = resnorm / srcnorm;
+
+        std::cout << GridLogMessage        << "MPFGMRES: Converged on iteration " << IterationCount
+                  << " computed residual " << sqrt(cp / ssq)
+                  << " true residual "     << true_residual
+                  << " target "            << Tolerance << std::endl;
+
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: Total      " <<       SolverTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: Precon     " <<         PrecTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: Matrix     " <<       MatrixTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: Linalg     " <<       LinalgTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: QR         " <<           QrTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: CompSol    " << CompSolutionTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: PrecChange " <<   ChangePrecTimer.Elapsed() << std::endl;
+        return;
+      }
+    }
+
+    std::cout << GridLogMessage << "MPFGMRES did NOT converge" << std::endl;
+
+    if (ErrorOnNoConverge)
+      assert(0);
+  }
+
+  RealD outerLoopBody(LinearOperatorBase<FieldD> &LinOp, const FieldD &src, FieldD &psi, RealD rsq) {
+
+    RealD cp = 0;
+
+    FieldD w(src.Grid());
+    FieldD r(src.Grid());
+
+    // these should probably be made class members so that they are only allocated once, not in every restart
+    std::vector<FieldD> v(RestartLength + 1, src.Grid()); for (auto &elem : v) elem = Zero();
+    std::vector<FieldD> z(RestartLength + 1, src.Grid()); for (auto &elem : z) elem = Zero();
+
+    MatrixTimer.Start();
+    LinOp.Op(psi, w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    r = src - w;
+
+    gamma[0] = sqrt(norm2(r));
+
+    v[0] = (1. / gamma[0]) * r;
+    LinalgTimer.Stop();
+
+    for (int i=0; i<RestartLength; i++) {
+
+      IterationCount++;
+
+      arnoldiStep(LinOp, v, z, w, i);
+
+      qrUpdate(i);
+
+      cp = norm(gamma[i+1]);
+
+      std::cout << GridLogIterative << "MPFGMRES: Iteration " << IterationCount
+                << " residual " << cp << " target " << rsq << std::endl;
+
+      if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
+
+        computeSolution(z, psi, i);
+
+        return cp;
+      }
+    }
+
+    assert(0); // Never reached
+    return cp;
+  }
+
+  void arnoldiStep(LinearOperatorBase<FieldD> &LinOp, std::vector<FieldD> &v, std::vector<FieldD> &z, FieldD &w, int iter) {
+
+    FieldF v_f(SinglePrecGrid);
+    FieldF z_f(SinglePrecGrid);
+
+    ChangePrecTimer.Start();
+    precisionChange(v_f, v[iter]);
+    precisionChange(z_f, z[iter]);
+    ChangePrecTimer.Stop();
+
+    PrecTimer.Start();
+    Preconditioner(v_f, z_f);
+    PrecTimer.Stop();
+
+    ChangePrecTimer.Start();
+    precisionChange(z[iter], z_f);
+    ChangePrecTimer.Stop();
+
+    MatrixTimer.Start();
+    LinOp.Op(z[iter], w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    for (int i = 0; i <= iter; ++i) {
+      H(iter, i) = innerProduct(v[i], w);
+      w = w - ComplexD(H(iter, i)) * v[i];
+    }
+
+    H(iter, iter + 1) = sqrt(norm2(w));
+    v[iter + 1] = ComplexD(1. / H(iter, iter + 1)) * w;
+    LinalgTimer.Stop();
+  }
+
+  void qrUpdate(int iter) {
+
+    QrTimer.Start();
+    for (int i = 0; i < iter ; ++i) {
+      auto tmp       = -s[i] * ComplexD(H(iter, i)) + c[i] * ComplexD(H(iter, i + 1));
+      H(iter, i)     = conjugate(c[i]) * ComplexD(H(iter, i)) + conjugate(s[i]) * ComplexD(H(iter, i + 1));
+      H(iter, i + 1) = tmp;
+    }
+
+    // Compute new Givens Rotation
+    auto nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
+    c[iter]     = H(iter, iter) / nu;
+    s[iter]     = H(iter, iter + 1) / nu;
+
+    // Apply new Givens rotation
+    H(iter, iter)     = nu;
+    H(iter, iter + 1) = 0.;
+
+    gamma[iter + 1] = -s[iter] * gamma[iter];
+    gamma[iter]     = conjugate(c[iter]) * gamma[iter];
+    QrTimer.Stop();
+  }
+
+  void computeSolution(std::vector<FieldD> const &z, FieldD &psi, int iter) {
+
+    CompSolutionTimer.Start();
+    for (int i = iter; i >= 0; i--) {
+      y[i] = gamma[i];
+      for (int k = i + 1; k <= iter; k++)
+        y[i] = y[i] - ComplexD(H(k, i)) * y[k];
+      y[i] = y[i] / ComplexD(H(i, i));
+    }
+
+    for (int i = 0; i <= iter; i++)
+      psi = psi + z[i] * y[i];
+    CompSolutionTimer.Stop();
+  }
+};
+}
+#endif

Grid/algorithms/iterative/NormalEquations.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,38 +23,90 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_NORMAL_EQUATIONS_H
 #define GRID_NORMAL_EQUATIONS_H
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-  ///////////////////////////////////////////////////////////////////////////////////////////////////////
-  // Take a matrix and form an NE solver calling a Herm solver
-  ///////////////////////////////////////////////////////////////////////////////////////////////////////
-  template<class Field> class NormalEquations : public OperatorFunction<Field>{
-  private:
-    SparseMatrixBase<Field> & _Matrix;
-    OperatorFunction<Field> & _HermitianSolver;
+///////////////////////////////////////////////////////////////////////////////////////////////////////
+// Take a matrix and form an NE solver calling a Herm solver
+///////////////////////////////////////////////////////////////////////////////////////////////////////
+template<class Field> class NormalEquations {
+private:
+  SparseMatrixBase<Field> & _Matrix;
+  OperatorFunction<Field> & _HermitianSolver;
+  LinearFunction<Field>   & _Guess;
+public:
 
-  public:
+  /////////////////////////////////////////////////////
+  // Wrap the usual normal equations trick
+  /////////////////////////////////////////////////////
+ NormalEquations(SparseMatrixBase<Field> &Matrix, OperatorFunction<Field> &HermitianSolver,
+		 LinearFunction<Field> &Guess) 
+   :  _Matrix(Matrix), _HermitianSolver(HermitianSolver), _Guess(Guess) {}; 
 
-    /////////////////////////////////////////////////////
-    // Wrap the usual normal equations trick
-    /////////////////////////////////////////////////////
-  NormalEquations(SparseMatrixBase<Field> &Matrix, OperatorFunction<Field> &HermitianSolver) 
-    :  _Matrix(Matrix), _HermitianSolver(HermitianSolver) {}; 
-
-    void operator() (const Field &in, Field &out){
+  void operator() (const Field &in, Field &out){
  
-      Field src(in._grid);
+    Field src(in.Grid());
+    Field tmp(in.Grid());
 
-      _Matrix.Mdag(in,src);
-      _HermitianSolver(src,out);  // Mdag M out = Mdag in
+    MdagMLinearOperator<SparseMatrixBase<Field>,Field> MdagMOp(_Matrix);
+    _Matrix.Mdag(in,src);
+    _Guess(src,out);
+    _HermitianSolver(MdagMOp,src,out);  // Mdag M out = Mdag in
+
+  }     
+};
+
+template<class Field> class HPDSolver {
+private:
+  LinearOperatorBase<Field> & _Matrix;
+  OperatorFunction<Field> & _HermitianSolver;
+  LinearFunction<Field>   & _Guess;
+public:
+
+  /////////////////////////////////////////////////////
+  // Wrap the usual normal equations trick
+  /////////////////////////////////////////////////////
+ HPDSolver(LinearOperatorBase<Field> &Matrix,
+	   OperatorFunction<Field> &HermitianSolver,
+	   LinearFunction<Field> &Guess) 
+   :  _Matrix(Matrix), _HermitianSolver(HermitianSolver), _Guess(Guess) {}; 
+
+  void operator() (const Field &in, Field &out){
  
-    }     
-  };
+    _Guess(in,out);
+    _HermitianSolver(_Matrix,in,out);  // Mdag M out = Mdag in
 
-}
+  }     
+};
+
+
+template<class Field> class MdagMSolver {
+private:
+  SparseMatrixBase<Field> & _Matrix;
+  OperatorFunction<Field> & _HermitianSolver;
+  LinearFunction<Field>   & _Guess;
+public:
+
+  /////////////////////////////////////////////////////
+  // Wrap the usual normal equations trick
+  /////////////////////////////////////////////////////
+ MdagMSolver(SparseMatrixBase<Field> &Matrix, OperatorFunction<Field> &HermitianSolver,
+	     LinearFunction<Field> &Guess) 
+   :  _Matrix(Matrix), _HermitianSolver(HermitianSolver), _Guess(Guess) {}; 
+
+  void operator() (const Field &in, Field &out){
+ 
+    MdagMLinearOperator<SparseMatrixBase<Field>,Field> MdagMOp(_Matrix);
+    _Guess(in,out);
+
+    _HermitianSolver(MdagMOp,in,out);  // Mdag M out = Mdag in
+
+  }     
+};
+
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/iterative/PowerMethod.h

@@ -0,0 +1,47 @@
+#pragma once
+namespace Grid {
+template<class Field> class PowerMethod  
+{ 
+ public: 
+
+  template<typename T>  static RealD normalise(T& v) 
+  {
+    RealD nn = norm2(v);
+    nn = sqrt(nn);
+    v = v * (1.0/nn);
+    return nn;
+  }
+
+  RealD operator()(LinearOperatorBase<Field> &HermOp, const Field &src) 
+  { 
+    GridBase *grid = src.Grid(); 
+    
+    // quickly get an idea of the largest eigenvalue to more properly normalize the residuum 
+    RealD evalMaxApprox = 0.0; 
+    auto src_n = src; 
+    auto tmp = src; 
+    const int _MAX_ITER_EST_ = 50; 
+
+    for (int i=0;i<_MAX_ITER_EST_;i++) { 
+      
+      normalise(src_n); 
+      HermOp.HermOp(src_n,tmp); 
+      RealD vnum = real(innerProduct(src_n,tmp)); // HermOp. 
+      RealD vden = norm2(src_n); 
+      RealD na = vnum/vden; 
+
+      std::cout << GridLogIterative << "PowerMethod: Current approximation of largest eigenvalue " << na << std::endl;
+      
+      if ( (fabs(evalMaxApprox/na - 1.0) < 0.001) || (i==_MAX_ITER_EST_-1) ) { 
+ 	evalMaxApprox = na; 
+	std::cout << GridLogMessage << " Approximation of largest eigenvalue: " << evalMaxApprox << std::endl;
+ 	return evalMaxApprox; 
+      } 
+      evalMaxApprox = na; 
+      src_n = tmp;
+    }
+    assert(0);
+    return 0;
+  }
+};
+}

Grid/algorithms/iterative/PrecConjugateResidual.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,97 +23,97 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_PREC_CONJUGATE_RESIDUAL_H
 #define GRID_PREC_CONJUGATE_RESIDUAL_H
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-    /////////////////////////////////////////////////////////////
-    // Base classes for iterative processes based on operators
-    // single input vec, single output vec.
-    /////////////////////////////////////////////////////////////
+/////////////////////////////////////////////////////////////
+// Base classes for iterative processes based on operators
+// single input vec, single output vec.
+/////////////////////////////////////////////////////////////
 
-  template<class Field> 
-    class PrecConjugateResidual : public OperatorFunction<Field> {
-  public:                                                
-    RealD   Tolerance;
-    Integer MaxIterations;
-    int verbose;
-    LinearFunction<Field> &Preconditioner;
+template<class Field> 
+class PrecConjugateResidual : public OperatorFunction<Field> {
+public:                                                
+  RealD   Tolerance;
+  Integer MaxIterations;
+  int verbose;
+  LinearFunction<Field> &Preconditioner;
 
-    PrecConjugateResidual(RealD tol,Integer maxit,LinearFunction<Field> &Prec) : Tolerance(tol), MaxIterations(maxit),      Preconditioner(Prec)
-    { 
-      verbose=1;
-    };
+  PrecConjugateResidual(RealD tol,Integer maxit,LinearFunction<Field> &Prec) : Tolerance(tol), MaxIterations(maxit),      Preconditioner(Prec)
+  { 
+    verbose=1;
+  };
 
-    void operator() (LinearOperatorBase<Field> &Linop,const Field &src, Field &psi){
+  void operator() (LinearOperatorBase<Field> &Linop,const Field &src, Field &psi){
 
-      RealD a, b, c, d;
-      RealD cp, ssq,rsq;
+    RealD a, b, c, d;
+    RealD cp, ssq,rsq;
       
-      RealD rAr, rAAr, rArp;
-      RealD pAp, pAAp;
+    RealD rAr, rAAr, rArp;
+    RealD pAp, pAAp;
 
-      GridBase *grid = src._grid;
-      Field r(grid),  p(grid), Ap(grid), Ar(grid), z(grid);
+    GridBase *grid = src.Grid();
+    Field r(grid),  p(grid), Ap(grid), Ar(grid), z(grid);
       
-      psi=zero;
-      r  = src;
-      Preconditioner(r,p);
+    psi=zero;
+    r  = src;
+    Preconditioner(r,p);
 
       
 
-      Linop.HermOpAndNorm(p,Ap,pAp,pAAp);
-      Ar=Ap;
-      rAr=pAp;
-      rAAr=pAAp;
+    Linop.HermOpAndNorm(p,Ap,pAp,pAAp);
+    Ar=Ap;
+    rAr=pAp;
+    rAAr=pAAp;
 
-      cp =norm2(r);
-      ssq=norm2(src);
-      rsq=Tolerance*Tolerance*ssq;
+    cp =norm2(r);
+    ssq=norm2(src);
+    rsq=Tolerance*Tolerance*ssq;
 
-      if (verbose) std::cout<<GridLogMessage<<"PrecConjugateResidual: iteration " <<0<<" residual "<<cp<< " target"<< rsq<<std::endl;
+    if (verbose) std::cout<<GridLogMessage<<"PrecConjugateResidual: iteration " <<0<<" residual "<<cp<< " target"<< rsq<<std::endl;
 
-      for(int k=0;k<MaxIterations;k++){
+    for(int k=0;k<MaxIterations;k++){
 
 
-	Preconditioner(Ap,z);
-	RealD rq= real(innerProduct(Ap,z)); 
+      Preconditioner(Ap,z);
+      RealD rq= real(innerProduct(Ap,z)); 
 
-	a = rAr/rq;
+      a = rAr/rq;
 
-   	axpy(psi,a,p,psi);
-   cp = axpy_norm(r,-a,z,r);
+      axpy(psi,a,p,psi);
+      cp = axpy_norm(r,-a,z,r);
 
-	rArp=rAr;
+      rArp=rAr;
 
-	Linop.HermOpAndNorm(r,Ar,rAr,rAAr);
+      Linop.HermOpAndNorm(r,Ar,rAr,rAAr);
 
-	b   =rAr/rArp;
+      b   =rAr/rArp;
  
-	axpy(p,b,p,r);
-	pAAp=axpy_norm(Ap,b,Ap,Ar);
+      axpy(p,b,p,r);
+      pAAp=axpy_norm(Ap,b,Ap,Ar);
 	
-	if(verbose) std::cout<<GridLogMessage<<"PrecConjugateResidual: iteration " <<k<<" residual "<<cp<< " target"<< rsq<<std::endl;
-
-	if(cp<rsq) {
-	  Linop.HermOp(psi,Ap);
-	  axpy(r,-1.0,src,Ap);
-	  RealD true_resid = norm2(r)/ssq;
-	  std::cout<<GridLogMessage<<"PrecConjugateResidual: Converged on iteration " <<k
-		   << " computed residual "<<sqrt(cp/ssq)
-	           << " true residual "<<sqrt(true_resid)
-	           << " target "       <<Tolerance <<std::endl;
-	  return;
-	}
+      if(verbose) std::cout<<GridLogMessage<<"PrecConjugateResidual: iteration " <<k<<" residual "<<cp<< " target"<< rsq<<std::endl;
 
+      if(cp<rsq) {
+	Linop.HermOp(psi,Ap);
+	axpy(r,-1.0,src,Ap);
+	RealD true_resid = norm2(r)/ssq;
+	std::cout<<GridLogMessage<<"PrecConjugateResidual: Converged on iteration " <<k
+		 << " computed residual "<<sqrt(cp/ssq)
+		 << " true residual "<<sqrt(true_resid)
+		 << " target "       <<Tolerance <<std::endl;
+	return;
       }
 
-      std::cout<<GridLogMessage<<"PrecConjugateResidual did NOT converge"<<std::endl;
-      assert(0);
     }
-  };
-}
+
+    std::cout<<GridLogMessage<<"PrecConjugateResidual did NOT converge"<<std::endl;
+    assert(0);
+  }
+};
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -24,8 +24,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_PREC_GCR_H
 #define GRID_PREC_GCR_H
 
@@ -36,195 +36,204 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 //NB. Likely not original reference since they are focussing on a preconditioner variant.
 //    but VPGCR was nicely written up in their paper
 ///////////////////////////////////////////////////////////////////////////////////////////////////////
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-  template<class Field>
-    class PrecGeneralisedConjugateResidual : public OperatorFunction<Field> {
-  public:                                                
-    RealD   Tolerance;
-    Integer MaxIterations;
-    int verbose;
-    int mmax;
-    int nstep;
-    int steps;
-    GridStopWatch PrecTimer;
-    GridStopWatch MatTimer;
-    GridStopWatch LinalgTimer;
+#define GCRLogLevel std::cout << GridLogMessage <<std::string(level,'\t')<< " Level "<<level<<" " 
 
-    LinearFunction<Field> &Preconditioner;
+template<class Field>
+class PrecGeneralisedConjugateResidual : public LinearFunction<Field> {
+public:                                                
+  using LinearFunction<Field>::operator();
+  RealD   Tolerance;
+  Integer MaxIterations;
+  int verbose;
+  int mmax;
+  int nstep;
+  int steps;
+  int level;
+  GridStopWatch PrecTimer;
+  GridStopWatch MatTimer;
+  GridStopWatch LinalgTimer;
 
-   PrecGeneralisedConjugateResidual(RealD tol,Integer maxit,LinearFunction<Field> &Prec,int _mmax,int _nstep) : 
-      Tolerance(tol), 
-      MaxIterations(maxit),
-      Preconditioner(Prec),
-      mmax(_mmax),
-      nstep(_nstep)
-    { 
-      verbose=1;
-    };
+  LinearFunction<Field>     &Preconditioner;
+  LinearOperatorBase<Field> &Linop;
 
-    void operator() (LinearOperatorBase<Field> &Linop,const Field &src, Field &psi){
+  void Level(int lv) { level=lv; };
 
-      psi=zero;
-      RealD cp, ssq,rsq;
-      ssq=norm2(src);
-      rsq=Tolerance*Tolerance*ssq;
+  PrecGeneralisedConjugateResidual(RealD tol,Integer maxit,LinearOperatorBase<Field> &_Linop,LinearFunction<Field> &Prec,int _mmax,int _nstep) : 
+    Tolerance(tol), 
+    MaxIterations(maxit),
+    Linop(_Linop),
+    Preconditioner(Prec),
+    mmax(_mmax),
+    nstep(_nstep)
+  { 
+    level=1;
+    verbose=1;
+  };
+
+  void operator() (const Field &src, Field &psi){
+
+    psi=Zero();
+    RealD cp, ssq,rsq;
+    ssq=norm2(src);
+    rsq=Tolerance*Tolerance*ssq;
       
-      Field r(src._grid);
+    Field r(src.Grid());
 
-        PrecTimer.Reset();
-         MatTimer.Reset();
-      LinalgTimer.Reset();
+    PrecTimer.Reset();
+    MatTimer.Reset();
+    LinalgTimer.Reset();
 
-      GridStopWatch SolverTimer;
-      SolverTimer.Start();
+    GridStopWatch SolverTimer;
+    SolverTimer.Start();
 
-      steps=0;
-      for(int k=0;k<MaxIterations;k++){
+    steps=0;
+    for(int k=0;k<MaxIterations;k++){
 
-	cp=GCRnStep(Linop,src,psi,rsq);
+      cp=GCRnStep(src,psi,rsq);
 
-	std::cout<<GridLogMessage<<"VPGCR("<<mmax<<","<<nstep<<") "<< steps <<" steps cp = "<<cp<<std::endl;
+      GCRLogLevel <<"PGCR("<<mmax<<","<<nstep<<") "<< steps <<" steps cp = "<<cp<<" target "<<rsq <<std::endl;
 
-	if(cp<rsq) {
+      if(cp<rsq) {
 
-	  SolverTimer.Stop();
+	SolverTimer.Stop();
 
-	  Linop.HermOp(psi,r);
-	  axpy(r,-1.0,src,r);
-	  RealD tr = norm2(r);
-	  std::cout<<GridLogMessage<<"PrecGeneralisedConjugateResidual: Converged on iteration " <<steps
-		   << " computed residual "<<sqrt(cp/ssq)
-	           << " true residual "    <<sqrt(tr/ssq)
-	           << " target "           <<Tolerance <<std::endl;
-
-	  std::cout<<GridLogMessage<<"VPGCR Time elapsed: Total  "<< SolverTimer.Elapsed() <<std::endl;
-	  std::cout<<GridLogMessage<<"VPGCR Time elapsed: Precon "<<   PrecTimer.Elapsed() <<std::endl;
-	  std::cout<<GridLogMessage<<"VPGCR Time elapsed: Matrix "<<    MatTimer.Elapsed() <<std::endl;
-	  std::cout<<GridLogMessage<<"VPGCR Time elapsed: Linalg "<< LinalgTimer.Elapsed() <<std::endl;
-	  return;
-	}
+	Linop.HermOp(psi,r);
+	axpy(r,-1.0,src,r);
+	RealD tr = norm2(r);
+	GCRLogLevel<<"PGCR: Converged on iteration " <<steps
+		 << " computed residual "<<sqrt(cp/ssq)
+		 << " true residual "    <<sqrt(tr/ssq)
+		 << " target "           <<Tolerance <<std::endl;
 
+	GCRLogLevel<<"PGCR Time elapsed: Total  "<< SolverTimer.Elapsed() <<std::endl;
+	/*
+	  GCRLogLevel<<"PGCR Time elapsed: Precon "<<   PrecTimer.Elapsed() <<std::endl;
+	  GCRLogLevel<<"PGCR Time elapsed: Matrix "<<    MatTimer.Elapsed() <<std::endl;
+	  GCRLogLevel<<"PGCR Time elapsed: Linalg "<< LinalgTimer.Elapsed() <<std::endl;
+	*/
+	return;
       }
-      std::cout<<GridLogMessage<<"Variable Preconditioned GCR did not converge"<<std::endl;
-      assert(0);
+
     }
+    GCRLogLevel<<"Variable Preconditioned GCR did not converge"<<std::endl;
+    //    assert(0);
+  }
 
-    RealD GCRnStep(LinearOperatorBase<Field> &Linop,const Field &src, Field &psi,RealD rsq){
+  RealD GCRnStep(const Field &src, Field &psi,RealD rsq){
 
-      RealD cp;
-      RealD a, b, c, d;
-      RealD zAz, zAAz;
-      RealD rAq, rq;
+    RealD cp;
+    RealD a, b;
+    RealD zAz, zAAz;
+    RealD rq;
 
-      GridBase *grid = src._grid;
+    GridBase *grid = src.Grid();
 
-      Field r(grid);
-      Field z(grid);
-      Field tmp(grid);
-      Field ttmp(grid);
-      Field Az(grid);
+    Field r(grid);
+    Field z(grid);
+    Field tmp(grid);
+    Field ttmp(grid);
+    Field Az(grid);
 
-      ////////////////////////////////
-      // history for flexible orthog
-      ////////////////////////////////
-      std::vector<Field> q(mmax,grid);
-      std::vector<Field> p(mmax,grid);
-      std::vector<RealD> qq(mmax);
+    ////////////////////////////////
+    // history for flexible orthog
+    ////////////////////////////////
+    std::vector<Field> q(mmax,grid);
+    std::vector<Field> p(mmax,grid);
+    std::vector<RealD> qq(mmax);
       
-      //////////////////////////////////
-      // initial guess x0 is taken as nonzero.
-      // r0=src-A x0 = src
-      //////////////////////////////////
-      MatTimer.Start();
-      Linop.HermOpAndNorm(psi,Az,zAz,zAAz); 
-      MatTimer.Stop();
-      r=src-Az;
-      
-      /////////////////////
-      // p = Prec(r)
-      /////////////////////
+    GCRLogLevel<< "PGCR nStep("<<nstep<<")"<<std::endl;
+
+    //////////////////////////////////
+    // initial guess x0 is taken as nonzero.
+    // r0=src-A x0 = src
+    //////////////////////////////////
+    MatTimer.Start();
+    Linop.HermOpAndNorm(psi,Az,zAz,zAAz); 
+    MatTimer.Stop();
+    
+
+    LinalgTimer.Start();
+    r=src-Az;
+    LinalgTimer.Stop();
+    GCRLogLevel<< "PGCR true residual r = src - A psi   "<<norm2(r) <<std::endl;
+    
+    /////////////////////
+    // p = Prec(r)
+    /////////////////////
+
+    PrecTimer.Start();
+    Preconditioner(r,z);
+    PrecTimer.Stop();
+
+    MatTimer.Start();
+    Linop.HermOpAndNorm(z,Az,zAz,zAAz); 
+    MatTimer.Stop();
+
+    LinalgTimer.Start();
+
+    //p[0],q[0],qq[0] 
+    p[0]= z;
+    q[0]= Az;
+    qq[0]= zAAz;
+    
+    cp =norm2(r);
+    LinalgTimer.Stop();
+
+    for(int k=0;k<nstep;k++){
+
+      steps++;
+
+      int kp     = k+1;
+      int peri_k = k %mmax;
+      int peri_kp= kp%mmax;
+
+      LinalgTimer.Start();
+      rq= real(innerProduct(r,q[peri_k])); // what if rAr not real?
+      a = rq/qq[peri_k];
+
+      axpy(psi,a,p[peri_k],psi);         
+
+      cp = axpy_norm(r,-a,q[peri_k],r);
+      LinalgTimer.Stop();
+
+      GCRLogLevel<< "PGCR step["<<steps<<"]  resid " << cp << " target " <<rsq<<std::endl; 
+
+      if((k==nstep-1)||(cp<rsq)){
+	return cp;
+      }
+
+
       PrecTimer.Start();
-      Preconditioner(r,z);
+      Preconditioner(r,z);// solve Az = r
       PrecTimer.Stop();
 
       MatTimer.Start();
-      Linop.HermOp(z,tmp); 
+      Linop.HermOpAndNorm(z,Az,zAz,zAAz);
       MatTimer.Stop();
 
-      ttmp=tmp;
-      tmp=tmp-r;
+      LinalgTimer.Start();
 
-      /*
-      std::cout<<GridLogMessage<<r<<std::endl;
-      std::cout<<GridLogMessage<<z<<std::endl;
-      std::cout<<GridLogMessage<<ttmp<<std::endl;
-      std::cout<<GridLogMessage<<tmp<<std::endl;
-      */
+      q[peri_kp]=Az;
+      p[peri_kp]=z;
 
-      MatTimer.Start();
-      Linop.HermOpAndNorm(z,Az,zAz,zAAz); 
-      MatTimer.Stop();
+      int northog = ((kp)>(mmax-1))?(mmax-1):(kp);  // if more than mmax done, we orthog all mmax history.
+      for(int back=0;back<northog;back++){
 
-      //p[0],q[0],qq[0] 
-      p[0]= z;
-      q[0]= Az;
-      qq[0]= zAAz;
-
-      cp =norm2(r);
-
-      for(int k=0;k<nstep;k++){
-
-	steps++;
-
-	int kp     = k+1;
-	int peri_k = k %mmax;
-	int peri_kp= kp%mmax;
-
-	rq= real(innerProduct(r,q[peri_k])); // what if rAr not real?
-	a = rq/qq[peri_k];
-
-	axpy(psi,a,p[peri_k],psi);         
-
-	cp = axpy_norm(r,-a,q[peri_k],r);  
-
-	if((k==nstep-1)||(cp<rsq)){
-	  return cp;
-	}
-
-	std::cout<<GridLogMessage<< " VPGCR_step["<<steps<<"]  resid " <<sqrt(cp/rsq)<<std::endl; 
-
-	PrecTimer.Start();
-	Preconditioner(r,z);// solve Az = r
-	PrecTimer.Stop();
-
-	MatTimer.Start();
-	Linop.HermOpAndNorm(z,Az,zAz,zAAz);
-	Linop.HermOp(z,tmp);
-	MatTimer.Stop();
-        tmp=tmp-r;
-	std::cout<<GridLogMessage<< " Preconditioner resid " <<sqrt(norm2(tmp)/norm2(r))<<std::endl; 
-
-	q[peri_kp]=Az;
-	p[peri_kp]=z;
-
-	int northog = ((kp)>(mmax-1))?(mmax-1):(kp);  // if more than mmax done, we orthog all mmax history.
-	for(int back=0;back<northog;back++){
-
-	  int peri_back=(k-back)%mmax;   	  assert((k-back)>=0);
-
-	  b=-real(innerProduct(q[peri_back],Az))/qq[peri_back];
-	  p[peri_kp]=p[peri_kp]+b*p[peri_back];
-	  q[peri_kp]=q[peri_kp]+b*q[peri_back];
-
-	}
-	qq[peri_kp]=norm2(q[peri_kp]); // could use axpy_norm
+	int peri_back=(k-back)%mmax;   	  assert((k-back)>=0);
 
+	b=-real(innerProduct(q[peri_back],Az))/qq[peri_back];
+	p[peri_kp]=p[peri_kp]+b*p[peri_back];
+	q[peri_kp]=q[peri_kp]+b*q[peri_back];
 
       }
-      assert(0); // never reached
-      return cp;
+      qq[peri_kp]=norm2(q[peri_kp]); // could use axpy_norm
+      LinalgTimer.Stop();
     }
-  };
-}
+    assert(0); // never reached
+    return cp;
+  }
+};
+NAMESPACE_END(Grid);
 #endif

Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h

@@ -0,0 +1,242 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/PrecGeneralisedConjugateResidual.h
+
+    Copyright (C) 2015
+
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_PREC_GCR_NON_HERM_H
+#define GRID_PREC_GCR_NON_HERM_H
+
+///////////////////////////////////////////////////////////////////////////////////////////////////////
+//VPGCR Abe and Zhang, 2005.
+//INTERNATIONAL JOURNAL OF NUMERICAL ANALYSIS AND MODELING
+//Computing and Information Volume 2, Number 2, Pages 147-161
+//NB. Likely not original reference since they are focussing on a preconditioner variant.
+//    but VPGCR was nicely written up in their paper
+///////////////////////////////////////////////////////////////////////////////////////////////////////
+NAMESPACE_BEGIN(Grid);
+
+#define GCRLogLevel std::cout << GridLogMessage <<std::string(level,'\t')<< " Level "<<level<<" " 
+
+template<class Field>
+class PrecGeneralisedConjugateResidualNonHermitian : public LinearFunction<Field> {
+public:                                                
+  using LinearFunction<Field>::operator();
+  RealD   Tolerance;
+  Integer MaxIterations;
+  int verbose;
+  int mmax;
+  int nstep;
+  int steps;
+  int level;
+  GridStopWatch PrecTimer;
+  GridStopWatch MatTimer;
+  GridStopWatch LinalgTimer;
+
+  LinearFunction<Field>     &Preconditioner;
+  LinearOperatorBase<Field> &Linop;
+
+  void Level(int lv) { level=lv; };
+
+  PrecGeneralisedConjugateResidualNonHermitian(RealD tol,Integer maxit,LinearOperatorBase<Field> &_Linop,LinearFunction<Field> &Prec,int _mmax,int _nstep) : 
+    Tolerance(tol), 
+    MaxIterations(maxit),
+    Linop(_Linop),
+    Preconditioner(Prec),
+    mmax(_mmax),
+    nstep(_nstep)
+  { 
+    level=1;
+    verbose=1;
+  };
+
+  void operator() (const Field &src, Field &psi){
+
+    psi=Zero();
+    RealD cp, ssq,rsq;
+    ssq=norm2(src);
+    rsq=Tolerance*Tolerance*ssq;
+      
+    Field r(src.Grid());
+
+    PrecTimer.Reset();
+    MatTimer.Reset();
+    LinalgTimer.Reset();
+
+    GridStopWatch SolverTimer;
+    SolverTimer.Start();
+
+    steps=0;
+    for(int k=0;k<MaxIterations;k++){
+
+      cp=GCRnStep(src,psi,rsq);
+
+      GCRLogLevel <<"PGCR("<<mmax<<","<<nstep<<") "<< steps <<" steps cp = "<<cp<<" target "<<rsq <<std::endl;
+
+      if(cp<rsq) {
+
+	SolverTimer.Stop();
+
+	Linop.Op(psi,r);
+	axpy(r,-1.0,src,r);
+	RealD tr = norm2(r);
+	GCRLogLevel<<"PGCR: Converged on iteration " <<steps
+		 << " computed residual "<<sqrt(cp/ssq)
+		 << " true residual "    <<sqrt(tr/ssq)
+		 << " target "           <<Tolerance <<std::endl;
+
+	GCRLogLevel<<"PGCR Time elapsed: Total  "<< SolverTimer.Elapsed() <<std::endl;
+	return;
+      }
+
+    }
+    GCRLogLevel<<"Variable Preconditioned GCR did not converge"<<std::endl;
+    //    assert(0);
+  }
+
+  RealD GCRnStep(const Field &src, Field &psi,RealD rsq){
+
+    RealD cp;
+    ComplexD a, b;
+    //    ComplexD zAz;
+    RealD zAAz;
+    ComplexD rq;
+
+    GridBase *grid = src.Grid();
+
+    Field r(grid);
+    Field z(grid);
+    Field tmp(grid);
+    Field ttmp(grid);
+    Field Az(grid);
+
+    ////////////////////////////////
+    // history for flexible orthog
+    ////////////////////////////////
+    std::vector<Field> q(mmax,grid);
+    std::vector<Field> p(mmax,grid);
+    std::vector<RealD> qq(mmax);
+      
+    GCRLogLevel<< "PGCR nStep("<<nstep<<")"<<std::endl;
+
+    //////////////////////////////////
+    // initial guess x0 is taken as nonzero.
+    // r0=src-A x0 = src
+    //////////////////////////////////
+    MatTimer.Start();
+    Linop.Op(psi,Az);
+    //    zAz = innerProduct(Az,psi);
+    zAAz= norm2(Az);
+    MatTimer.Stop();
+    
+
+    LinalgTimer.Start();
+    r=src-Az;
+    LinalgTimer.Stop();
+    GCRLogLevel<< "PGCR true residual r = src - A psi   "<<norm2(r) <<std::endl;
+    
+    /////////////////////
+    // p = Prec(r)
+    /////////////////////
+
+    PrecTimer.Start();
+    Preconditioner(r,z);
+    PrecTimer.Stop();
+
+    MatTimer.Start();
+    Linop.Op(z,Az);
+    MatTimer.Stop();
+
+    LinalgTimer.Start();
+
+    //    zAz = innerProduct(Az,psi);
+    zAAz= norm2(Az);
+
+    //p[0],q[0],qq[0] 
+    p[0]= z;
+    q[0]= Az;
+    qq[0]= zAAz;
+    
+    cp =norm2(r);
+    LinalgTimer.Stop();
+
+    for(int k=0;k<nstep;k++){
+
+      steps++;
+
+      int kp     = k+1;
+      int peri_k = k %mmax;
+      int peri_kp= kp%mmax;
+
+      LinalgTimer.Start();
+      rq= innerProduct(q[peri_k],r); // what if rAr not real?
+      a = rq/qq[peri_k];
+
+      axpy(psi,a,p[peri_k],psi);         
+
+      cp = axpy_norm(r,-a,q[peri_k],r);
+      LinalgTimer.Stop();
+
+      GCRLogLevel<< "PGCR step["<<steps<<"]  resid " << cp << " target " <<rsq<<std::endl; 
+
+      if((k==nstep-1)||(cp<rsq)){
+	return cp;
+      }
+
+
+      PrecTimer.Start();
+      Preconditioner(r,z);// solve Az = r
+      PrecTimer.Stop();
+
+      MatTimer.Start();
+      Linop.Op(z,Az);
+      MatTimer.Stop();
+      //      zAz = innerProduct(Az,psi);
+      zAAz= norm2(Az);
+
+      LinalgTimer.Start();
+
+      q[peri_kp]=Az;
+      p[peri_kp]=z;
+
+      int northog = ((kp)>(mmax-1))?(mmax-1):(kp);  // if more than mmax done, we orthog all mmax history.
+      for(int back=0;back<northog;back++){
+
+	int peri_back=(k-back)%mmax;   	  assert((k-back)>=0);
+
+	b=-real(innerProduct(q[peri_back],Az))/qq[peri_back];
+	p[peri_kp]=p[peri_kp]+b*p[peri_back];
+	q[peri_kp]=q[peri_kp]+b*q[peri_back];
+
+      }
+      qq[peri_kp]=norm2(q[peri_kp]); // could use axpy_norm
+      LinalgTimer.Stop();
+    }
+    assert(0); // never reached
+    return cp;
+  }
+};
+NAMESPACE_END(Grid);
+#endif

Grid/algorithms/iterative/QuasiMinimalResidual.h

@@ -0,0 +1,371 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithmsf/iterative/QuasiMinimalResidual.h
+
+Copyright (C) 2019
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+template<class Field> 
+RealD innerG5ProductReal(Field &l, Field &r)
+{
+  Gamma G5(Gamma::Algebra::Gamma5);
+  Field tmp(l.Grid());
+  //  tmp = G5*r;
+  G5R5(tmp,r);
+  ComplexD ip =innerProduct(l,tmp);
+  std::cout << "innerProductRealG5R5 "<<ip<<std::endl;
+  return ip.real();
+}
+
+template<class Field>
+class QuasiMinimalResidual : public OperatorFunction<Field> {
+ public:
+  using OperatorFunction<Field>::operator();
+
+  bool ErrorOnNoConverge; 
+  RealD   Tolerance;
+  Integer MaxIterations;
+  Integer IterationCount;
+
+  QuasiMinimalResidual(RealD   tol,
+		       Integer maxit,
+		       bool    err_on_no_conv = true)
+      : Tolerance(tol)
+      , MaxIterations(maxit)
+      , ErrorOnNoConverge(err_on_no_conv) 
+  {};
+
+#if 1
+  void operator()(LinearOperatorBase<Field> &LinOp, const Field &b, Field &x) 
+  {
+    RealD resid;
+    IterationCount=0;
+
+    RealD  rho, rho_1, xi, gamma, gamma_1, theta, theta_1;
+    RealD  eta, delta, ep, beta; 
+
+    GridBase *Grid = b.Grid();
+    Field r(Grid), d(Grid), s(Grid);
+    Field v(Grid), w(Grid), y(Grid),  z(Grid);
+    Field v_tld(Grid), w_tld(Grid), y_tld(Grid), z_tld(Grid);
+    Field p(Grid), q(Grid), p_tld(Grid);
+
+    Real normb = norm2(b);
+
+    LinOp.Op(x,r); r = b - r;
+
+    assert(normb> 0.0);
+
+    resid = norm2(r)/normb;
+    if (resid <= Tolerance) {
+      return;
+    }
+
+    v_tld = r;
+    y = v_tld;
+    rho = norm2(y);
+
+    // Take Gamma5 conjugate
+    //    Gamma G5(Gamma::Algebra::Gamma5);
+    //    G5R5(w_tld,r);
+    //    w_tld = G5* v_tld;
+    w_tld=v_tld;
+    z = w_tld;
+    xi = norm2(z);
+
+    gamma = 1.0;
+    eta   = -1.0;
+    theta = 0.0;
+
+    for (int i = 1; i <= MaxIterations; i++) {
+
+      // Breakdown tests
+      assert( rho != 0.0);
+      assert( xi  != 0.0);
+
+      v = (1. / rho) * v_tld;
+      y = (1. / rho) * y;
+
+      w = (1. / xi) * w_tld;
+      z = (1. / xi) * z;
+
+      ComplexD Zdelta = innerProduct(z, y); // Complex?
+      std::cout << "Zdelta "<<Zdelta<<std::endl;
+      delta = Zdelta.real();
+
+      y_tld = y; 
+      z_tld = z;
+
+      if (i > 1) {
+	p = y_tld - (xi  * delta / ep) * p;
+	q = z_tld - (rho * delta / ep) * q;
+      } else {
+	p = y_tld;
+	q = z_tld;
+      }
+
+      LinOp.Op(p,p_tld);      //     p_tld = A * p;
+      ComplexD Zep = innerProduct(q, p_tld);
+      ep=Zep.real();
+      std::cout << "Zep "<<Zep <<std::endl;
+      // Complex Audit
+      assert(abs(ep)>0);
+
+      beta = ep / delta;
+      assert(abs(beta)>0);
+
+      v_tld = p_tld - beta * v;
+      y = v_tld;
+
+      rho_1 = rho;
+      rho   = norm2(y);
+      LinOp.AdjOp(q,w_tld);
+      w_tld = w_tld - beta * w;
+      z = w_tld;
+
+      xi = norm2(z);
+
+      gamma_1 = gamma;
+      theta_1 = theta;
+
+      theta   = rho / (gamma_1 * beta);
+      gamma   = 1.0 / sqrt(1.0 + theta * theta);
+      std::cout << "theta "<<theta<<std::endl;
+      std::cout << "gamma "<<gamma<<std::endl;
+
+      assert(abs(gamma)> 0.0);
+
+      eta = -eta * rho_1 * gamma* gamma / (beta * gamma_1 * gamma_1);
+
+      if (i > 1) {
+	d = eta * p + (theta_1 * theta_1 * gamma * gamma) * d;
+	s = eta * p_tld + (theta_1 * theta_1 * gamma * gamma) * s;
+      } else {
+	d = eta * p;
+	s = eta * p_tld;
+      }
+
+      x =x+d;                            // update approximation vector
+      r =r-s;                            // compute residual
+
+      if ((resid = norm2(r) / normb) <= Tolerance) {
+	return;
+      }
+      std::cout << "Iteration "<<i<<" resid " << resid<<std::endl;
+    }
+    assert(0);
+    return;                            // no convergence
+  }
+#else
+  // QMRg5 SMP thesis
+  void operator()(LinearOperatorBase<Field> &LinOp, const Field &b, Field &x) 
+  {
+    // Real scalars
+    GridBase *grid = b.Grid();
+
+    Field    r(grid);
+    Field    p_m(grid), p_m_minus_1(grid), p_m_minus_2(grid);
+    Field    v_m(grid), v_m_minus_1(grid), v_m_plus_1(grid);
+    Field    tmp(grid);
+
+    RealD    w;
+    RealD    z1, z2;
+    RealD    delta_m, delta_m_minus_1;
+    RealD    c_m_plus_1, c_m, c_m_minus_1;
+    RealD    s_m_plus_1, s_m, s_m_minus_1;
+    RealD    alpha, beta, gamma, epsilon;
+    RealD    mu, nu, rho, theta, xi, chi;
+    RealD    mod2r, mod2b;
+    RealD    tau2, target2;
+
+    mod2b=norm2(b);
+
+    /////////////////////////
+    // Initial residual
+    /////////////////////////
+    LinOp.Op(x,tmp);
+    r = b - tmp;
+
+    /////////////////////////
+    // \mu = \rho = |r_0|
+    /////////////////////////
+    mod2r = norm2(r);
+    rho = sqrt( mod2r);
+    mu=rho;
+    
+    std::cout << "QuasiMinimalResidual rho "<< rho<<std::endl;
+    /////////////////////////
+    // Zero negative history
+    /////////////////////////
+    v_m_plus_1  = Zero();
+    v_m_minus_1 = Zero();
+    p_m_minus_1 = Zero();
+    p_m_minus_2 = Zero();
+
+    // v0
+    v_m = (1.0/rho)*r;
+
+    /////////////////////////
+    // Initial coeffs
+    /////////////////////////
+    delta_m_minus_1 = 1.0;
+    c_m_minus_1     = 1.0;
+    c_m             = 1.0;
+    s_m_minus_1     = 0.0;
+    s_m             = 0.0;
+
+    /////////////////////////
+    // Set up convergence check
+    /////////////////////////
+    tau2    = mod2r;
+    target2 = mod2b * Tolerance*Tolerance;
+ 
+    for(int iter = 0 ; iter < MaxIterations; iter++){
+
+      /////////////////////////
+      // \delta_m = (v_m, \gamma_5 v_m) 
+      /////////////////////////
+      delta_m = innerG5ProductReal(v_m,v_m);
+      std::cout << "QuasiMinimalResidual delta_m "<< delta_m<<std::endl;
+
+      /////////////////////////
+      // tmp = A v_m
+      /////////////////////////
+      LinOp.Op(v_m,tmp);
+
+      /////////////////////////
+      // \alpha = (v_m, \gamma_5 temp) / \delta_m 
+      /////////////////////////
+      alpha = innerG5ProductReal(v_m,tmp);
+      alpha = alpha/delta_m ;
+      std::cout << "QuasiMinimalResidual alpha "<< alpha<<std::endl;
+
+      /////////////////////////
+      // \beta = \rho \delta_m / \delta_{m-1}
+      /////////////////////////
+      beta = rho * delta_m / delta_m_minus_1;
+      std::cout << "QuasiMinimalResidual beta "<< beta<<std::endl;
+
+      /////////////////////////
+      // \tilde{v}_{m+1} = temp - \alpha v_m - \beta v_{m-1}
+      /////////////////////////
+      v_m_plus_1 = tmp - alpha*v_m - beta*v_m_minus_1;
+
+      ///////////////////////////////
+      // \rho = || \tilde{v}_{m+1} ||
+      ///////////////////////////////
+      rho = sqrt( norm2(v_m_plus_1) );
+      std::cout << "QuasiMinimalResidual rho "<< rho<<std::endl;
+
+      ///////////////////////////////
+      //      v_{m+1} = \tilde{v}_{m+1}
+      ///////////////////////////////
+      v_m_plus_1 = (1.0 / rho) * v_m_plus_1;
+
+      ////////////////////////////////
+      // QMR recurrence coefficients.
+      ////////////////////////////////
+      theta      = s_m_minus_1 * beta;
+      gamma      = c_m_minus_1 * beta;
+      epsilon    =  c_m * gamma + s_m * alpha;
+      xi         = -s_m * gamma + c_m * alpha;
+      nu         = sqrt( xi*xi + rho*rho );
+      c_m_plus_1 = fabs(xi) / nu;
+      if ( xi == 0.0 ) {
+	s_m_plus_1 = 1.0;
+      } else {
+	s_m_plus_1 = c_m_plus_1 * rho / xi;
+      }
+      chi = c_m_plus_1 * xi + s_m_plus_1 * rho;
+
+      std::cout << "QuasiMinimalResidual coeffs "<< theta <<" "<<gamma<<" "<< epsilon<<" "<< xi<<" "<< nu<<std::endl;
+      std::cout << "QuasiMinimalResidual coeffs "<< chi   <<std::endl;
+
+      ////////////////////////////////
+      //p_m=(v_m - \epsilon p_{m-1} - \theta p_{m-2}) / \chi
+      ////////////////////////////////
+      p_m = (1.0/chi) * v_m - (epsilon/chi) * p_m_minus_1 - (theta/chi) * p_m_minus_2;
+
+      ////////////////////////////////////////////////////////////////
+      //      \psi = \psi + c_{m+1} \mu p_m	
+      ////////////////////////////////////////////////////////////////
+      x = x + ( c_m_plus_1 * mu ) * p_m;
+
+      ////////////////////////////////////////
+      //
+      ////////////////////////////////////////
+      mu              = -s_m_plus_1 * mu;
+      delta_m_minus_1 = delta_m;
+      c_m_minus_1     = c_m;
+      c_m             = c_m_plus_1;
+      s_m_minus_1     = s_m;
+      s_m             = s_m_plus_1;
+
+      ////////////////////////////////////
+      // Could use pointer swizzle games.
+      ////////////////////////////////////
+      v_m_minus_1 = v_m;
+      v_m         = v_m_plus_1;
+      p_m_minus_2 = p_m_minus_1;
+      p_m_minus_1 = p_m;
+
+
+      /////////////////////////////////////
+      // Convergence checks
+      /////////////////////////////////////
+      z1 = RealD(iter+1.0);
+      z2 = z1 + 1.0;
+      tau2 = tau2 *( z2 / z1 ) * s_m * s_m;
+      std::cout << " QuasiMinimumResidual iteration "<< iter<<std::endl;
+      std::cout << " QuasiMinimumResidual tau bound "<< tau2<<std::endl;
+
+      // Compute true residual
+      mod2r = tau2;
+      if ( 1 || (tau2 < (100.0 * target2)) ) {
+	LinOp.Op(x,tmp);
+	r = b - tmp;
+	mod2r = norm2(r);
+	std::cout << " QuasiMinimumResidual true residual is "<< mod2r<<std::endl;
+      }
+
+
+      if ( mod2r < target2 ) { 
+
+	std::cout << " QuasiMinimumResidual has converged"<<std::endl;
+	return;
+
+      }
+
+    }
+
+
+  }
+#endif
+};
+
+NAMESPACE_END(Grid);

Grid/algorithms/iterative/SchurRedBlack.h

@@ -99,10 +99,13 @@ namespace Grid {
     OperatorFunction<Field> & _HermitianRBSolver;
     int CBfactorise;
     bool subGuess;
+    bool useSolnAsInitGuess; // if true user-supplied solution vector is used as initial guess for solver
   public:
 
-    SchurRedBlackBase(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false)  :
-    _HermitianRBSolver(HermitianRBSolver) 
+    SchurRedBlackBase(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false,
+        const bool _solnAsInitGuess = false)  :
+    _HermitianRBSolver(HermitianRBSolver),
+    useSolnAsInitGuess(_solnAsInitGuess)
     { 
       CBfactorise = 0;
       subtractGuess(initSubGuess);
@@ -129,6 +132,31 @@ namespace Grid {
       (*this)(_Matrix,in,out,guess);
     }
 
+    void RedBlackSource(Matrix &_Matrix, const std::vector<Field> &in, std::vector<Field> &src_o) 
+    {
+      GridBase *grid = _Matrix.RedBlackGrid();
+      Field tmp(grid);
+      int nblock = in.size();
+      for(int b=0;b<nblock;b++){
+	RedBlackSource(_Matrix,in[b],tmp,src_o[b]);
+      }
+    }
+    // James can write his own deflated guesser
+    // with optimised code for the inner products
+    //    RedBlackSolveSplitGrid();
+    //    RedBlackSolve(_Matrix,src_o,sol_o); 
+
+    void RedBlackSolution(Matrix &_Matrix, const std::vector<Field> &in, const std::vector<Field> &sol_o, std::vector<Field> &out)
+    {
+      GridBase *grid = _Matrix.RedBlackGrid();
+      Field tmp(grid);
+      int nblock = in.size();
+      for(int b=0;b<nblock;b++) {
+	pickCheckerboard(Even,tmp,in[b]);
+	RedBlackSolution(_Matrix,sol_o[b],tmp,out[b]);
+      }
+    }
+
     template<class Guesser>
     void operator()(Matrix &_Matrix, const std::vector<Field> &in, std::vector<Field> &out,Guesser &guess) 
     {
@@ -147,20 +175,29 @@ namespace Grid {
       ////////////////////////////////////////////////
       // Prepare RedBlack source
       ////////////////////////////////////////////////
-      for(int b=0;b<nblock;b++){
-	RedBlackSource(_Matrix,in[b],tmp,src_o[b]);
-      }
+      RedBlackSource(_Matrix,in,src_o);
+	//      for(int b=0;b<nblock;b++){
+	//	RedBlackSource(_Matrix,in[b],tmp,src_o[b]);
+	//      }
+      
       ////////////////////////////////////////////////
       // Make the guesses
       ////////////////////////////////////////////////
       if ( subGuess ) guess_save.resize(nblock,grid);
 
-      for(int b=0;b<nblock;b++){
-	guess(src_o[b],sol_o[b]); 
+      
+      if(useSolnAsInitGuess) {
+        for(int b=0;b<nblock;b++){
+          pickCheckerboard(Odd, sol_o[b], out[b]);
+        }
+      } else {
+        guess(src_o, sol_o); 
+      }
 
-	if ( subGuess ) { 
-	  guess_save[b] = sol_o[b];
-	}
+	    if ( subGuess ) { 
+        for(int b=0;b<nblock;b++){
+          guess_save[b] = sol_o[b];
+        }
       }
       //////////////////////////////////////////////////////////////
       // Call the block solver
@@ -216,8 +253,11 @@ namespace Grid {
       ////////////////////////////////
       // Construct the guess
       ////////////////////////////////
-      Field   tmp(grid);
-      guess(src_o,sol_o);
+      if(useSolnAsInitGuess) {
+        pickCheckerboard(Odd, sol_o, out);
+      } else {
+        guess(src_o,sol_o);
+      }
 
       Field  guess_save(grid);
       guess_save = sol_o;
@@ -251,7 +291,7 @@ namespace Grid {
     }     
     
     /////////////////////////////////////////////////////////////
-    // Override in derived. Not virtual as template methods
+    // Override in derived. 
     /////////////////////////////////////////////////////////////
     virtual void RedBlackSource  (Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)                =0;
     virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)          =0;
@@ -264,8 +304,9 @@ namespace Grid {
   public:
     typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
 
-    SchurRedBlackStaggeredSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false) 
-      :    SchurRedBlackBase<Field> (HermitianRBSolver,initSubGuess) 
+    SchurRedBlackStaggeredSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false,
+        const bool _solnAsInitGuess = false) 
+      :    SchurRedBlackBase<Field> (HermitianRBSolver,initSubGuess,_solnAsInitGuess) 
     {
     }
 
@@ -286,9 +327,9 @@ namespace Grid {
       /////////////////////////////////////////////////////
       // 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);     
+      _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);     
 
       _Matrix.Mooee(tmp,src_o); // Extra factor of "m" in source from dumb choice of matrix norm.
     }
@@ -306,17 +347,17 @@ namespace Grid {
       ///////////////////////////////////////////////////
       // 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);
+      _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(sol,sol_e); assert(  sol_e.checkerboard ==Even);
-      setCheckerboard(sol,sol_o); assert(  sol_o.checkerboard ==Odd );
+      setCheckerboard(sol,sol_e); assert(  sol_e.Checkerboard() ==Even);
+      setCheckerboard(sol,sol_o); assert(  sol_o.Checkerboard() ==Odd );
     }
     virtual void RedBlackSolve   (Matrix & _Matrix,const Field &src_o, Field &sol_o)
     {
       SchurStaggeredOperator<Matrix,Field> _HermOpEO(_Matrix);
-      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
+      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.Checkerboard()==Odd);
     };
     virtual void RedBlackSolve   (Matrix & _Matrix,const std::vector<Field> &src_o,  std::vector<Field> &sol_o)
     {
@@ -333,8 +374,9 @@ namespace Grid {
   public:
     typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
 
-    SchurRedBlackDiagMooeeSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false)  
-      : SchurRedBlackBase<Field> (HermitianRBSolver,initSubGuess) {};
+    SchurRedBlackDiagMooeeSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false,
+        const bool _solnAsInitGuess = false)  
+      : SchurRedBlackBase<Field> (HermitianRBSolver,initSubGuess,_solnAsInitGuess) {};
 
 
     //////////////////////////////////////////////////////
@@ -354,13 +396,13 @@ namespace Grid {
       /////////////////////////////////////////////////////
       // 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);     
+      _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
       SchurDiagMooeeOperator<Matrix,Field> _HermOpEO(_Matrix);
-      _HermOpEO.MpcDag(tmp,src_o);     assert(src_o.checkerboard ==Odd);       
+      _HermOpEO.MpcDag(tmp,src_o);     assert(src_o.Checkerboard() ==Odd);       
 
     }
     virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)
@@ -374,17 +416,17 @@ namespace Grid {
       ///////////////////////////////////////////////////
       // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
       ///////////////////////////////////////////////////
-      _Matrix.Meooe(sol_o,tmp);          assert(  tmp.checkerboard   ==Even);
-      src_e_i = src_e-tmp;               assert(  src_e_i.checkerboard ==Even);
-      _Matrix.MooeeInv(src_e_i,sol_e);   assert(  sol_e.checkerboard ==Even);
+      _Matrix.Meooe(sol_o,tmp);          assert(  tmp.Checkerboard()   ==Even);
+      src_e_i = src_e-tmp;               assert(  src_e_i.Checkerboard() ==Even);
+      _Matrix.MooeeInv(src_e_i,sol_e);   assert(  sol_e.Checkerboard() ==Even);
      
-      setCheckerboard(sol,sol_e); assert(  sol_e.checkerboard ==Even);
-      setCheckerboard(sol,sol_o); assert(  sol_o.checkerboard ==Odd );
+      setCheckerboard(sol,sol_e); assert(  sol_e.Checkerboard() ==Even);
+      setCheckerboard(sol,sol_o); assert(  sol_o.Checkerboard() ==Odd );
     }
     virtual void RedBlackSolve   (Matrix & _Matrix,const Field &src_o, Field &sol_o)
     {
       SchurDiagMooeeOperator<Matrix,Field> _HermOpEO(_Matrix);
-      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
+      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.Checkerboard()==Odd);
     };
     virtual void RedBlackSolve   (Matrix & _Matrix,const std::vector<Field> &src_o,  std::vector<Field> &sol_o)
     {
@@ -393,6 +435,70 @@ namespace Grid {
     }
   };
 
+  template<class Field> class NonHermitianSchurRedBlackDiagMooeeSolve : public SchurRedBlackBase<Field> 
+  {
+    public:
+      typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
+
+      NonHermitianSchurRedBlackDiagMooeeSolve(OperatorFunction<Field>& RBSolver, const bool initSubGuess = false,
+          const bool _solnAsInitGuess = false)  
+      : SchurRedBlackBase<Field>(RBSolver, initSubGuess, _solnAsInitGuess) {};
+
+      //////////////////////////////////////////////////////
+      // Override RedBlack specialisation
+      //////////////////////////////////////////////////////
+      virtual void RedBlackSource(Matrix& _Matrix, const Field& src, Field& src_e, Field& src_o)
+      {
+        GridBase* grid  = _Matrix.RedBlackGrid();
+        GridBase* fgrid = _Matrix.Grid();
+
+        Field  tmp(grid);
+        Field Mtmp(grid);
+
+        pickCheckerboard(Even, src_e, src);
+        pickCheckerboard(Odd , src_o, src);
+
+        /////////////////////////////////////////////////////
+        // src_o = Mdag * (source_o - Moe MeeInv source_e)
+        /////////////////////////////////////////////////////
+        _Matrix.MooeeInv(src_e, tmp);   assert(   tmp.Checkerboard() == Even );
+        _Matrix.Meooe   (tmp, Mtmp);    assert(  Mtmp.Checkerboard() == Odd  );     
+        src_o -= Mtmp;                  assert( src_o.Checkerboard() == Odd  );     
+      }
+      
+      virtual void RedBlackSolution(Matrix& _Matrix, const Field& sol_o, const Field& src_e, Field& sol)
+      {
+        GridBase* grid  = _Matrix.RedBlackGrid();
+        GridBase* fgrid = _Matrix.Grid();
+
+        Field     tmp(grid);
+        Field   sol_e(grid);
+        Field src_e_i(grid);
+        
+        ///////////////////////////////////////////////////
+        // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
+        ///////////////////////////////////////////////////
+        _Matrix.Meooe(sol_o, tmp);         assert(     tmp.Checkerboard() == Even );
+        src_e_i = src_e - tmp;             assert( src_e_i.Checkerboard() == Even );
+        _Matrix.MooeeInv(src_e_i, sol_e);  assert(   sol_e.Checkerboard() == Even );
+       
+        setCheckerboard(sol, sol_e); assert( sol_e.Checkerboard() == Even );
+        setCheckerboard(sol, sol_o); assert( sol_o.Checkerboard() == Odd  );
+      }
+
+      virtual void RedBlackSolve(Matrix& _Matrix, const Field& src_o, Field& sol_o)
+      {
+        NonHermitianSchurDiagMooeeOperator<Matrix,Field> _OpEO(_Matrix);
+        this->_HermitianRBSolver(_OpEO, src_o, sol_o);  assert(sol_o.Checkerboard() == Odd);
+      }
+
+      virtual void RedBlackSolve(Matrix& _Matrix, const std::vector<Field>& src_o, std::vector<Field>& sol_o)
+      {
+        NonHermitianSchurDiagMooeeOperator<Matrix,Field> _OpEO(_Matrix);
+        this->_HermitianRBSolver(_OpEO, src_o, sol_o); 
+      }
+  };
+
   ///////////////////////////////////////////////////////////////////////////////////////////////////////
   // Site diagonal is identity, right preconditioned by Mee^inv
   // ( 1 - Meo Moo^inv Moe Mee^inv  ) phi =( 1 - Meo Moo^inv Moe Mee^inv  ) Mee psi =  = eta  = eta
@@ -405,8 +511,9 @@ namespace Grid {
     /////////////////////////////////////////////////////
     // Wrap the usual normal equations Schur trick
     /////////////////////////////////////////////////////
-  SchurRedBlackDiagTwoSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false)  
-    : SchurRedBlackBase<Field>(HermitianRBSolver,initSubGuess) {};
+  SchurRedBlackDiagTwoSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false,
+      const bool _solnAsInitGuess = false)  
+    : SchurRedBlackBase<Field>(HermitianRBSolver,initSubGuess,_solnAsInitGuess) {};
 
     virtual void RedBlackSource(Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)
     {
@@ -424,12 +531,12 @@ namespace Grid {
       /////////////////////////////////////////////////////
       // 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);     
+      _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);       
+      _HermOpEO.MpcDag(tmp,src_o);     assert(src_o.Checkerboard() ==Odd);       
     }
 
     virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)
@@ -450,12 +557,12 @@ namespace Grid {
       ///////////////////////////////////////////////////
       // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
       ///////////////////////////////////////////////////
-      _Matrix.Meooe(sol_o_i,tmp);    assert(  tmp.checkerboard   ==Even);
-      tmp = src_e-tmp;               assert(  src_e.checkerboard ==Even);
-      _Matrix.MooeeInv(tmp,sol_e);   assert(  sol_e.checkerboard ==Even);
+      _Matrix.Meooe(sol_o_i,tmp);    assert(  tmp.Checkerboard()   ==Even);
+      tmp = src_e-tmp;               assert(  src_e.Checkerboard() ==Even);
+      _Matrix.MooeeInv(tmp,sol_e);   assert(  sol_e.Checkerboard() ==Even);
      
-      setCheckerboard(sol,sol_e);    assert(  sol_e.checkerboard ==Even);
-      setCheckerboard(sol,sol_o_i);  assert(  sol_o_i.checkerboard ==Odd );
+      setCheckerboard(sol,sol_e);    assert(  sol_e.Checkerboard() ==Even);
+      setCheckerboard(sol,sol_o_i);  assert(  sol_o_i.Checkerboard() ==Odd );
     };
 
     virtual void RedBlackSolve   (Matrix & _Matrix,const Field &src_o, Field &sol_o)
@@ -469,5 +576,76 @@ namespace Grid {
       this->_HermitianRBSolver(_HermOpEO,src_o,sol_o); 
     }
   };
+
+  template<class Field> class NonHermitianSchurRedBlackDiagTwoSolve : public SchurRedBlackBase<Field> 
+  {
+    public:
+      typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
+
+      /////////////////////////////////////////////////////
+      // Wrap the usual normal equations Schur trick
+      /////////////////////////////////////////////////////
+      NonHermitianSchurRedBlackDiagTwoSolve(OperatorFunction<Field>& RBSolver, const bool initSubGuess = false,
+          const bool _solnAsInitGuess = false)  
+      : SchurRedBlackBase<Field>(RBSolver, initSubGuess, _solnAsInitGuess) {};
+
+      virtual void RedBlackSource(Matrix& _Matrix, const Field& src, Field& src_e, Field& src_o)
+      {
+        GridBase* grid  = _Matrix.RedBlackGrid();
+        GridBase* fgrid = _Matrix.Grid();
+
+        Field  tmp(grid);
+        Field Mtmp(grid);
+
+        pickCheckerboard(Even, src_e, src);
+        pickCheckerboard(Odd , src_o, src);
+      
+        /////////////////////////////////////////////////////
+        // src_o = Mdag * (source_o - Moe MeeInv source_e)
+        /////////////////////////////////////////////////////
+        _Matrix.MooeeInv(src_e, tmp);   assert(   tmp.Checkerboard() == Even );
+        _Matrix.Meooe   (tmp, Mtmp);    assert(  Mtmp.Checkerboard() == Odd  );     
+        src_o -= Mtmp;                  assert( src_o.Checkerboard() == Odd  );     
+      }
+
+      virtual void RedBlackSolution(Matrix& _Matrix, const Field& sol_o, const Field& src_e, Field& sol)
+      {
+        GridBase* grid  = _Matrix.RedBlackGrid();
+        GridBase* fgrid = _Matrix.Grid();
+
+        Field sol_o_i(grid);
+        Field     tmp(grid);
+        Field   sol_e(grid);
+
+        ////////////////////////////////////////////////
+        // MooeeInv due to pecond
+        ////////////////////////////////////////////////
+        _Matrix.MooeeInv(sol_o, tmp);
+        sol_o_i = tmp;
+
+        ///////////////////////////////////////////////////
+        // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
+        ///////////////////////////////////////////////////
+        _Matrix.Meooe(sol_o_i, tmp);    assert(   tmp.Checkerboard() == Even );
+        tmp = src_e - tmp;              assert( src_e.Checkerboard() == Even );
+        _Matrix.MooeeInv(tmp, sol_e);   assert( sol_e.Checkerboard() == Even );
+       
+        setCheckerboard(sol, sol_e);    assert(   sol_e.Checkerboard() == Even );
+        setCheckerboard(sol, sol_o_i);  assert( sol_o_i.Checkerboard() == Odd  );
+      };
+
+      virtual void RedBlackSolve(Matrix& _Matrix, const Field& src_o, Field& sol_o)
+      {
+        NonHermitianSchurDiagTwoOperator<Matrix,Field> _OpEO(_Matrix);
+        this->_HermitianRBSolver(_OpEO, src_o, sol_o);
+      };
+
+      virtual void RedBlackSolve(Matrix& _Matrix, const std::vector<Field>& src_o,  std::vector<Field>& sol_o)
+      {
+        NonHermitianSchurDiagTwoOperator<Matrix,Field> _OpEO(_Matrix);
+        this->_HermitianRBSolver(_OpEO, src_o, sol_o); 
+      }
+  };
 }
+
 #endif

Grid/allocator/AlignedAllocator.h

@@ -24,109 +24,11 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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_ALIGNED_ALLOCATOR_H
-#define GRID_ALIGNED_ALLOCATOR_H
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
 
-#ifdef HAVE_MALLOC_MALLOC_H
-#include <malloc/malloc.h>
-#endif
-#ifdef HAVE_MALLOC_H
-#include <malloc.h>
-#endif
-
-#ifdef HAVE_MM_MALLOC_H
-#include <mm_malloc.h>
-#endif
-
-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.
-////////////////////////////////////////////////////////////////////
+NAMESPACE_BEGIN(Grid);
 
 template<typename _Tp>
 class alignedAllocator {
@@ -151,68 +53,31 @@ public:
   { 
     size_type bytes = __n*sizeof(_Tp);
     profilerAllocate(bytes);
-
-    _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;
-    }
+    _Tp *ptr = (_Tp*) MemoryManager::CpuAllocate(bytes);
+    assert( ( (_Tp*)ptr != (_Tp *)NULL ) );
     return ptr;
   }
 
-  void deallocate(pointer __p, size_type __n) { 
+  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
-    if ( __freeme ) _mm_free((void *)__freeme); 
-#else
-    if ( __freeme ) free((void *)__freeme);
-#endif
+    MemoryManager::CpuFree((void *)__p,bytes);
   }
-  void construct(pointer __p, const _Tp& __val) { };
+
+  // FIXME: hack for the copy constructor: it must be avoided to avoid single thread loop
+  void construct(pointer __p, const _Tp& __val) { assert(0);};
   void construct(pointer __p) { };
   void destroy(pointer __p) { };
 };
 template<typename _Tp>  inline bool operator==(const alignedAllocator<_Tp>&, const alignedAllocator<_Tp>&){ return true; }
 template<typename _Tp>  inline bool operator!=(const alignedAllocator<_Tp>&, const alignedAllocator<_Tp>&){ return false; }
 
-//////////////////////////////////////////////////////////////////////////////////////////
-// MPI3 : comms must use shm region
-// SHMEM: comms must use symmetric heap
-//////////////////////////////////////////////////////////////////////////////////////////
-#ifdef GRID_COMMS_SHMEM
-extern "C" { 
-#include <mpp/shmem.h>
-extern void * shmem_align(size_t, size_t);
-extern void  shmem_free(void *);
-}
-#define PARANOID_SYMMETRIC_HEAP
-#endif
-
+//////////////////////////////////////////////////////////////////////////////////////
+// Unified virtual memory
+//////////////////////////////////////////////////////////////////////////////////////
 template<typename _Tp>
-class commAllocator {
+class uvmAllocator {
 public: 
   typedef std::size_t     size_type;
   typedef std::ptrdiff_t  difference_type;
@@ -222,94 +87,97 @@ public:
   typedef const _Tp& const_reference;
   typedef _Tp        value_type;
 
-  template<typename _Tp1>  struct rebind { typedef commAllocator<_Tp1> other; };
-  commAllocator() throw() { }
-  commAllocator(const commAllocator&) throw() { }
-  template<typename _Tp1> commAllocator(const commAllocator<_Tp1>&) throw() { }
-  ~commAllocator() throw() { }
+  template<typename _Tp1>  struct rebind { typedef uvmAllocator<_Tp1> other; };
+  uvmAllocator() throw() { }
+  uvmAllocator(const uvmAllocator&) throw() { }
+  template<typename _Tp1> uvmAllocator(const uvmAllocator<_Tp1>&) throw() { }
+  ~uvmAllocator() throw() { }
   pointer       address(reference __x)       const { return &__x; }
   size_type  max_size() const throw() { return size_t(-1) / sizeof(_Tp); }
 
-#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(bytes,64);
-#else
-    _Tp *ptr = (_Tp *) shmem_align(64,bytes);
-#endif
-#ifdef PARANOID_SYMMETRIC_HEAP
-    static void * bcast;
-    static long  psync[_SHMEM_REDUCE_SYNC_SIZE];
-
-    bcast = (void *) ptr;
-    shmem_broadcast32((void *)&bcast,(void *)&bcast,sizeof(void *)/4,0,0,0,shmem_n_pes(),psync);
-
-    if ( bcast != ptr ) {
-      std::printf("inconsistent alloc pe %d %lx %lx \n",shmem_my_pe(),bcast,ptr);std::fflush(stdout);
-      //      BACKTRACEFILE();
-      exit(0);
-    }
-    assert( bcast == (void *) ptr);
-#endif 
+    _Tp *ptr = (_Tp*) MemoryManager::SharedAllocate(bytes);
+    assert( ( (_Tp*)ptr != (_Tp *)NULL ) );
     return ptr;
   }
-  void deallocate(pointer __p, size_type __n) { 
-    size_type bytes = __n*sizeof(_Tp);
 
+  void deallocate(pointer __p, size_type __n) 
+  { 
+    size_type bytes = __n * sizeof(_Tp);
     profilerFree(bytes);
-    shmem_free((void *)__p);
+    MemoryManager::SharedFree((void *)__p,bytes);
   }
-#else
-  pointer allocate(size_type __n, const void* _p= 0) 
-  {
+
+  void construct(pointer __p, const _Tp& __val) { new((void *)__p) _Tp(__val); };
+  void construct(pointer __p) { };
+  void destroy(pointer __p) { };
+};
+template<typename _Tp>  inline bool operator==(const uvmAllocator<_Tp>&, const uvmAllocator<_Tp>&){ return true; }
+template<typename _Tp>  inline bool operator!=(const uvmAllocator<_Tp>&, const uvmAllocator<_Tp>&){ return false; }
+
+////////////////////////////////////////////////////////////////////////////////
+// Device memory
+////////////////////////////////////////////////////////////////////////////////
+template<typename _Tp>
+class devAllocator {
+public: 
+  typedef std::size_t     size_type;
+  typedef std::ptrdiff_t  difference_type;
+  typedef _Tp*       pointer;
+  typedef const _Tp* const_pointer;
+  typedef _Tp&       reference;
+  typedef const _Tp& const_reference;
+  typedef _Tp        value_type;
+
+  template<typename _Tp1>  struct rebind { typedef devAllocator<_Tp1> other; };
+  devAllocator() throw() { }
+  devAllocator(const devAllocator&) throw() { }
+  template<typename _Tp1> devAllocator(const devAllocator<_Tp1>&) throw() { }
+  ~devAllocator() throw() { }
+  pointer       address(reference __x)       const { return &__x; }
+  size_type  max_size() const throw() { return size_t(-1) / sizeof(_Tp); }
+
+  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(bytes, GRID_ALLOC_ALIGN);
-#else
-    _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;
-      }
-    }
+    _Tp *ptr = (_Tp*) MemoryManager::AcceleratorAllocate(bytes);
+    assert( ( (_Tp*)ptr != (_Tp *)NULL ) );
     return ptr;
   }
-  void deallocate(pointer __p, size_type __n) {
-    size_type bytes = __n*sizeof(_Tp);
 
+  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
-    free((void *)__p);
-#endif
+    MemoryManager::AcceleratorFree((void *)__p,bytes);
   }
-#endif
   void construct(pointer __p, const _Tp& __val) { };
   void construct(pointer __p) { };
   void destroy(pointer __p) { };
 };
-template<typename _Tp>  inline bool operator==(const commAllocator<_Tp>&, const commAllocator<_Tp>&){ return true; }
-template<typename _Tp>  inline bool operator!=(const commAllocator<_Tp>&, const commAllocator<_Tp>&){ return false; }
+template<typename _Tp>  inline bool operator==(const devAllocator<_Tp>&, const devAllocator<_Tp>&){ return true; }
+template<typename _Tp>  inline bool operator!=(const devAllocator<_Tp>&, const devAllocator<_Tp>&){ return false; }
 
 ////////////////////////////////////////////////////////////////////////////////
 // Template typedefs
 ////////////////////////////////////////////////////////////////////////////////
-template<class T> using Vector     = std::vector<T,alignedAllocator<T> >;           
-template<class T> using commVector = std::vector<T,commAllocator<T> >;              
-template<class T> using Matrix     = std::vector<std::vector<T,alignedAllocator<T> > >;
-    
-}; // namespace Grid
+#ifdef ACCELERATOR_CSHIFT
+// Cshift on device
+template<class T> using cshiftAllocator = devAllocator<T>;
+#else
+// Cshift on host
+template<class T> using cshiftAllocator = std::allocator<T>;
 #endif
+
+template<class T> using Vector        = std::vector<T,uvmAllocator<T> >;           
+template<class T> using stencilVector = std::vector<T,alignedAllocator<T> >;           
+template<class T> using commVector = std::vector<T,devAllocator<T> >;
+template<class T> using cshiftVector = std::vector<T,cshiftAllocator<T> >;
+
+NAMESPACE_END(Grid);
+
+

Grid/allocator/Allocator.h

@@ -0,0 +1,4 @@
+#pragma once
+#include <Grid/allocator/MemoryStats.h>
+#include <Grid/allocator/MemoryManager.h>
+#include <Grid/allocator/AlignedAllocator.h>

Grid/allocator/MemoryManager.cc

@@ -0,0 +1,324 @@
+#include <Grid/GridCore.h>
+
+NAMESPACE_BEGIN(Grid);
+
+/*Allocation types, saying which pointer cache should be used*/
+#define Cpu      (0)
+#define CpuHuge  (1)
+#define CpuSmall (2)
+#define Acc      (3)
+#define AccHuge  (4)
+#define AccSmall (5)
+#define Shared   (6)
+#define SharedHuge  (7)
+#define SharedSmall (8)
+#undef GRID_MM_VERBOSE 
+uint64_t total_shared;
+uint64_t total_device;
+uint64_t total_host;;
+void MemoryManager::PrintBytes(void)
+{
+  std::cout << " MemoryManager : ------------------------------------ "<<std::endl;
+  std::cout << " MemoryManager : PrintBytes "<<std::endl;
+  std::cout << " MemoryManager : ------------------------------------ "<<std::endl;
+  std::cout << " MemoryManager : "<<(total_shared>>20)<<" shared      Mbytes "<<std::endl;
+  std::cout << " MemoryManager : "<<(total_device>>20)<<" accelerator Mbytes "<<std::endl;
+  std::cout << " MemoryManager : "<<(total_host>>20)  <<" cpu         Mbytes "<<std::endl;
+  uint64_t cacheBytes;
+  cacheBytes = CacheBytes[Cpu];
+  std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" cpu cache Mbytes "<<std::endl;
+  cacheBytes = CacheBytes[Acc];
+  std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" acc cache Mbytes "<<std::endl;
+  cacheBytes = CacheBytes[Shared];
+  std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" shared cache Mbytes "<<std::endl;
+  
+#ifdef GRID_CUDA
+  cuda_mem();
+#endif
+  
+}
+
+uint64_t MemoryManager::DeviceCacheBytes() { return CacheBytes[Acc] + CacheBytes[AccHuge] + CacheBytes[AccSmall]; }
+uint64_t MemoryManager::HostCacheBytes()   { return CacheBytes[Cpu] + CacheBytes[CpuHuge] + CacheBytes[CpuSmall]; }
+
+//////////////////////////////////////////////////////////////////////
+// Data tables for recently freed pooiniter caches
+//////////////////////////////////////////////////////////////////////
+MemoryManager::AllocationCacheEntry MemoryManager::Entries[MemoryManager::NallocType][MemoryManager::NallocCacheMax];
+int MemoryManager::Victim[MemoryManager::NallocType];
+int MemoryManager::Ncache[MemoryManager::NallocType] = { 2, 0, 8, 8, 0, 16, 8, 0, 16 };
+uint64_t MemoryManager::CacheBytes[MemoryManager::NallocType];
+//////////////////////////////////////////////////////////////////////
+// Actual allocation and deallocation utils
+//////////////////////////////////////////////////////////////////////
+void *MemoryManager::AcceleratorAllocate(size_t bytes)
+{
+  total_device+=bytes;
+  void *ptr = (void *) Lookup(bytes,Acc);
+  if ( ptr == (void *) NULL ) {
+    ptr = (void *) acceleratorAllocDevice(bytes);
+  }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"AcceleratorAllocate "<<std::endl;
+  PrintBytes();
+#endif
+  return ptr;
+}
+void  MemoryManager::AcceleratorFree    (void *ptr,size_t bytes)
+{
+  total_device-=bytes;
+  void *__freeme = Insert(ptr,bytes,Acc);
+  if ( __freeme ) {
+    acceleratorFreeDevice(__freeme);
+  }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"AcceleratorFree "<<std::endl;
+  PrintBytes();
+#endif
+}
+void *MemoryManager::SharedAllocate(size_t bytes)
+{
+  total_shared+=bytes;
+  void *ptr = (void *) Lookup(bytes,Shared);
+  if ( ptr == (void *) NULL ) {
+    ptr = (void *) acceleratorAllocShared(bytes);
+  }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"SharedAllocate "<<std::endl;
+  PrintBytes();
+#endif
+  return ptr;
+}
+void  MemoryManager::SharedFree    (void *ptr,size_t bytes)
+{
+  total_shared-=bytes;
+  void *__freeme = Insert(ptr,bytes,Shared);
+  if ( __freeme ) {
+    acceleratorFreeShared(__freeme);
+  }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"SharedFree "<<std::endl;
+  PrintBytes();
+#endif
+}
+#ifdef GRID_UVM
+void *MemoryManager::CpuAllocate(size_t bytes)
+{
+  total_host+=bytes;
+  void *ptr = (void *) Lookup(bytes,Cpu);
+  if ( ptr == (void *) NULL ) {
+    ptr = (void *) acceleratorAllocShared(bytes);
+  }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"CpuAllocate "<<std::endl;
+  PrintBytes();
+#endif
+  return ptr;
+}
+void  MemoryManager::CpuFree    (void *_ptr,size_t bytes)
+{
+  total_host-=bytes;
+  NotifyDeletion(_ptr);
+  void *__freeme = Insert(_ptr,bytes,Cpu);
+  if ( __freeme ) { 
+    acceleratorFreeShared(__freeme);
+  }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"CpuFree "<<std::endl;
+  PrintBytes();
+#endif
+}
+#else
+void *MemoryManager::CpuAllocate(size_t bytes)
+{
+  total_host+=bytes;
+  void *ptr = (void *) Lookup(bytes,Cpu);
+  if ( ptr == (void *) NULL ) {
+    ptr = (void *) acceleratorAllocCpu(bytes);
+  }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"CpuAllocate "<<std::endl;
+  PrintBytes();
+#endif
+  return ptr;
+}
+void  MemoryManager::CpuFree    (void *_ptr,size_t bytes)
+{
+  total_host-=bytes;
+  NotifyDeletion(_ptr);
+  void *__freeme = Insert(_ptr,bytes,Cpu);
+  if ( __freeme ) { 
+    acceleratorFreeCpu(__freeme);
+  }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"CpuFree "<<std::endl;
+  PrintBytes();
+#endif
+}
+#endif
+
+//////////////////////////////////////////
+// call only once
+//////////////////////////////////////////
+void MemoryManager::Init(void)
+{
+
+  char * str;
+  int Nc;
+  
+  str= getenv("GRID_ALLOC_NCACHE_LARGE");
+  if ( str ) {
+    Nc = atoi(str);
+    if ( (Nc>=0) && (Nc < NallocCacheMax)) {
+      Ncache[Cpu]=Nc;
+      Ncache[Acc]=Nc;
+      Ncache[Shared]=Nc;
+    }
+  }
+
+  str= getenv("GRID_ALLOC_NCACHE_HUGE");
+  if ( str ) {
+    Nc = atoi(str);
+    if ( (Nc>=0) && (Nc < NallocCacheMax)) {
+      Ncache[CpuHuge]=Nc;
+      Ncache[AccHuge]=Nc;
+      Ncache[SharedHuge]=Nc;
+    }
+  }
+
+  str= getenv("GRID_ALLOC_NCACHE_SMALL");
+  if ( str ) {
+    Nc = atoi(str);
+    if ( (Nc>=0) && (Nc < NallocCacheMax)) {
+      Ncache[CpuSmall]=Nc;
+      Ncache[AccSmall]=Nc;
+      Ncache[SharedSmall]=Nc;
+    }
+  }
+
+}
+
+void MemoryManager::InitMessage(void) {
+
+#ifndef GRID_UVM
+  std::cout << GridLogMessage << "MemoryManager Cache "<< MemoryManager::DeviceMaxBytes <<" bytes "<<std::endl;
+#endif
+  
+  std::cout << GridLogMessage<< "MemoryManager::Init() setting up"<<std::endl;
+#ifdef ALLOCATION_CACHE
+  std::cout << GridLogMessage<< "MemoryManager::Init() cache pool for recent host   allocations: SMALL "<<Ncache[CpuSmall]<<" LARGE "<<Ncache[Cpu]<<" HUGE "<<Ncache[CpuHuge]<<std::endl;
+  std::cout << GridLogMessage<< "MemoryManager::Init() cache pool for recent device allocations: SMALL "<<Ncache[AccSmall]<<" LARGE "<<Ncache[Acc]<<" Huge "<<Ncache[AccHuge]<<std::endl;
+  std::cout << GridLogMessage<< "MemoryManager::Init() cache pool for recent shared allocations: SMALL "<<Ncache[SharedSmall]<<" LARGE "<<Ncache[Shared]<<" Huge "<<Ncache[SharedHuge]<<std::endl;
+#endif
+  
+#ifdef GRID_UVM
+  std::cout << GridLogMessage<< "MemoryManager::Init() Unified memory space"<<std::endl;
+#ifdef GRID_CUDA
+  std::cout << GridLogMessage<< "MemoryManager::Init() Using cudaMallocManaged"<<std::endl;
+#endif
+#ifdef GRID_HIP
+  std::cout << GridLogMessage<< "MemoryManager::Init() Using hipMallocManaged"<<std::endl;
+#endif
+#ifdef GRID_SYCL
+  std::cout << GridLogMessage<< "MemoryManager::Init() Using SYCL malloc_shared"<<std::endl;
+#endif
+#else
+  std::cout << GridLogMessage<< "MemoryManager::Init() Non unified: Caching accelerator data in dedicated memory"<<std::endl;
+#ifdef GRID_CUDA
+  std::cout << GridLogMessage<< "MemoryManager::Init() Using cudaMalloc"<<std::endl;
+#endif
+#ifdef GRID_HIP
+  std::cout << GridLogMessage<< "MemoryManager::Init() Using hipMalloc"<<std::endl;
+#endif
+#ifdef GRID_SYCL
+  std::cout << GridLogMessage<< "MemoryManager::Init() Using SYCL malloc_device"<<std::endl;
+#endif
+#endif
+
+}
+
+void *MemoryManager::Insert(void *ptr,size_t bytes,int type) 
+{
+#ifdef ALLOCATION_CACHE
+  int cache;
+  if      (bytes < GRID_ALLOC_SMALL_LIMIT) cache = type + 2;
+  else if (bytes >= GRID_ALLOC_HUGE_LIMIT) cache = type + 1;
+  else                                     cache = type;
+
+  return Insert(ptr,bytes,Entries[cache],Ncache[cache],Victim[cache],CacheBytes[cache]);  
+#else
+  return ptr;
+#endif
+}
+
+void *MemoryManager::Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim, uint64_t &cacheBytes) 
+{
+#ifdef GRID_OMP
+  assert(omp_in_parallel()==0);
+#endif 
+
+  if (ncache == 0) return ptr;
+
+  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;
+    cacheBytes -= entries[v].bytes;
+    entries[v].valid = 0;
+    entries[v].address = NULL;
+    entries[v].bytes = 0;
+  }
+
+  entries[v].address=ptr;
+  entries[v].bytes  =bytes;
+  entries[v].valid  =1;
+  cacheBytes += bytes;
+
+  return ret;
+}
+
+void *MemoryManager::Lookup(size_t bytes,int type)
+{
+#ifdef ALLOCATION_CACHE
+  int cache;
+  if      (bytes < GRID_ALLOC_SMALL_LIMIT) cache = type + 2;
+  else if (bytes >= GRID_ALLOC_HUGE_LIMIT) cache = type + 1;
+  else                                     cache = type;
+
+  return Lookup(bytes,Entries[cache],Ncache[cache],CacheBytes[cache]);
+#else
+  return NULL;
+#endif
+}
+
+void *MemoryManager::Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache,uint64_t & cacheBytes) 
+{
+#ifdef GRID_OMP
+  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;
+      cacheBytes -= entries[e].bytes;
+      return entries[e].address;
+    }
+  }
+  return NULL;
+}
+
+
+NAMESPACE_END(Grid);
+

Grid/allocator/MemoryManager.h

@@ -0,0 +1,226 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/MemoryManager.h
+
+    Copyright (C) 2015
+
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+#include <list> 
+#include <unordered_map>  
+
+NAMESPACE_BEGIN(Grid);
+
+// Move control to configure.ac and Config.h?
+
+#define GRID_ALLOC_SMALL_LIMIT (4096)
+#define GRID_ALLOC_HUGE_LIMIT  (2147483648)
+
+#define STRINGIFY(x) #x
+#define TOSTRING(x) STRINGIFY(x)
+#define FILE_LINE __FILE__ ":" TOSTRING(__LINE__)
+#define AUDIT(a) MemoryManager::Audit(FILE_LINE)
+
+/*Pinning pages is costly*/
+////////////////////////////////////////////////////////////////////////////
+// Advise the LatticeAccelerator class
+////////////////////////////////////////////////////////////////////////////
+enum ViewAdvise {
+ AdviseDefault       = 0x0,    // Regular data
+ AdviseInfrequentUse = 0x1     // Advise that the data is used infrequently.  This can
+                               // significantly influence performance of bulk storage.
+ 
+ // AdviseTransient      = 0x2,   // Data will mostly be read.  On some architectures
+                               // enables read-only copies of memory to be kept on
+                               // host and device.
+
+ // AdviseAcceleratorWriteDiscard = 0x4  // Field will be written in entirety on device
+
+};
+
+////////////////////////////////////////////////////////////////////////////
+// View Access Mode
+////////////////////////////////////////////////////////////////////////////
+enum ViewMode {
+  AcceleratorRead  = 0x01,
+  AcceleratorWrite = 0x02,
+  AcceleratorWriteDiscard = 0x04,
+  CpuRead  = 0x08,
+  CpuWrite = 0x10,
+  CpuWriteDiscard = 0x10 // same for now
+};
+
+struct MemoryStatus {
+  uint64_t     DeviceBytes;
+  uint64_t     DeviceLRUBytes;
+  uint64_t     DeviceMaxBytes;
+  uint64_t     HostToDeviceBytes;
+  uint64_t     DeviceToHostBytes;
+  uint64_t     HostToDeviceXfer;
+  uint64_t     DeviceToHostXfer;
+  uint64_t     DeviceEvictions;
+  uint64_t     DeviceDestroy;
+  uint64_t     DeviceAllocCacheBytes;
+  uint64_t     HostAllocCacheBytes;
+};
+
+
+class MemoryManager {
+private:
+
+  ////////////////////////////////////////////////////////////
+  // For caching recently freed allocations
+  ////////////////////////////////////////////////////////////
+  typedef struct { 
+    void *address;
+    size_t bytes;
+    int valid;
+  } AllocationCacheEntry;
+
+  static const int NallocCacheMax=128; 
+  static const int NallocType=9;
+  static AllocationCacheEntry Entries[NallocType][NallocCacheMax];
+  static int Victim[NallocType];
+  static int Ncache[NallocType];
+  static uint64_t CacheBytes[NallocType];
+
+  /////////////////////////////////////////////////
+  // Free pool
+  /////////////////////////////////////////////////
+  static void *Insert(void *ptr,size_t bytes,int type) ;
+  static void *Lookup(size_t bytes,int type) ;
+  static void *Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim,uint64_t &cbytes) ;
+  static void *Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache,uint64_t &cbytes) ;
+
+ public:
+  static void PrintBytes(void);
+  static void Audit(std::string s);
+  static void Init(void);
+  static void InitMessage(void);
+  static void *AcceleratorAllocate(size_t bytes);
+  static void  AcceleratorFree    (void *ptr,size_t bytes);
+  static void *SharedAllocate(size_t bytes);
+  static void  SharedFree    (void *ptr,size_t bytes);
+  static void *CpuAllocate(size_t bytes);
+  static void  CpuFree    (void *ptr,size_t bytes);
+
+  ////////////////////////////////////////////////////////
+  // Footprint tracking
+  ////////////////////////////////////////////////////////
+  static uint64_t     DeviceBytes;
+  static uint64_t     DeviceLRUBytes;
+  static uint64_t     DeviceMaxBytes;
+  static uint64_t     HostToDeviceBytes;
+  static uint64_t     DeviceToHostBytes;
+  static uint64_t     HostToDeviceXfer;
+  static uint64_t     DeviceToHostXfer;
+  static uint64_t     DeviceEvictions;
+  static uint64_t     DeviceDestroy;
+  
+  static uint64_t     DeviceCacheBytes();
+  static uint64_t     HostCacheBytes();
+
+  static MemoryStatus GetFootprint(void) {
+    MemoryStatus stat;
+    stat.DeviceBytes       = DeviceBytes;
+    stat.DeviceLRUBytes    = DeviceLRUBytes;
+    stat.DeviceMaxBytes    = DeviceMaxBytes;
+    stat.HostToDeviceBytes = HostToDeviceBytes;
+    stat.DeviceToHostBytes = DeviceToHostBytes;
+    stat.HostToDeviceXfer  = HostToDeviceXfer;
+    stat.DeviceToHostXfer  = DeviceToHostXfer;
+    stat.DeviceEvictions   = DeviceEvictions;
+    stat.DeviceDestroy     = DeviceDestroy;
+    stat.DeviceAllocCacheBytes = DeviceCacheBytes();
+    stat.HostAllocCacheBytes   = HostCacheBytes();
+    return stat;
+  };
+  
+ private:
+#ifndef GRID_UVM
+  //////////////////////////////////////////////////////////////////////
+  // Data tables for ViewCache
+  //////////////////////////////////////////////////////////////////////
+  typedef std::list<uint64_t> LRU_t;
+  typedef typename LRU_t::iterator LRUiterator;
+  typedef struct { 
+    int        LRU_valid;
+    LRUiterator LRU_entry;
+    uint64_t CpuPtr;
+    uint64_t AccPtr;
+    size_t   bytes;
+    uint32_t transient;
+    uint32_t state;
+    uint32_t accLock;
+    uint32_t cpuLock;
+  } AcceleratorViewEntry;
+  
+  typedef std::unordered_map<uint64_t,AcceleratorViewEntry> AccViewTable_t;
+  typedef typename AccViewTable_t::iterator AccViewTableIterator ;
+
+  static AccViewTable_t AccViewTable;
+  static LRU_t LRU;
+
+  /////////////////////////////////////////////////
+  // Device motion
+  /////////////////////////////////////////////////
+  static void  Create(uint64_t CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint);
+  static void  EvictVictims(uint64_t bytes); // Frees up <bytes>
+  static void  Evict(AcceleratorViewEntry &AccCache);
+  static void  Flush(AcceleratorViewEntry &AccCache);
+  static void  Clone(AcceleratorViewEntry &AccCache);
+  static void  AccDiscard(AcceleratorViewEntry &AccCache);
+  static void  CpuDiscard(AcceleratorViewEntry &AccCache);
+
+  //  static void  LRUupdate(AcceleratorViewEntry &AccCache);
+  static void  LRUinsert(AcceleratorViewEntry &AccCache);
+  static void  LRUremove(AcceleratorViewEntry &AccCache);
+  
+  // manage entries in the table
+  static int                  EntryPresent(uint64_t CpuPtr);
+  static void                 EntryCreate(uint64_t CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint);
+  static void                 EntryErase (uint64_t CpuPtr);
+  static AccViewTableIterator EntryLookup(uint64_t CpuPtr);
+  static void                 EntrySet   (uint64_t CpuPtr,AcceleratorViewEntry &entry);
+
+  static void     AcceleratorViewClose(uint64_t AccPtr);
+  static uint64_t AcceleratorViewOpen(uint64_t  CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint);
+  static void     CpuViewClose(uint64_t Ptr);
+  static uint64_t CpuViewOpen(uint64_t  CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint);
+#endif
+  static void NotifyDeletion(void * CpuPtr);
+
+ public:
+  static void Print(void);
+  static void PrintAll(void);
+  static void PrintState( void* CpuPtr);
+  static int   isOpen   (void* CpuPtr);
+  static void  ViewClose(void* CpuPtr,ViewMode mode);
+  static void *ViewOpen (void* CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint);
+
+};
+
+NAMESPACE_END(Grid);
+
+

Grid/allocator/MemoryManagerCache.cc

@@ -0,0 +1,601 @@
+#include <Grid/GridCore.h>
+#ifndef GRID_UVM
+
+#warning "Using explicit device memory copies"
+NAMESPACE_BEGIN(Grid);
+
+#define MAXLINE 512
+static char print_buffer [ MAXLINE ];
+
+#define mprintf(...) snprintf (print_buffer,MAXLINE, __VA_ARGS__ ); std::cout << GridLogMemory << print_buffer;
+#define dprintf(...) snprintf (print_buffer,MAXLINE, __VA_ARGS__ ); std::cout << GridLogMemory << print_buffer;
+//#define dprintf(...) 
+
+
+////////////////////////////////////////////////////////////
+// For caching copies of data on device
+////////////////////////////////////////////////////////////
+MemoryManager::AccViewTable_t MemoryManager::AccViewTable;
+MemoryManager::LRU_t MemoryManager::LRU;
+  
+////////////////////////////////////////////////////////
+// Footprint tracking
+////////////////////////////////////////////////////////
+uint64_t  MemoryManager::DeviceBytes;
+uint64_t  MemoryManager::DeviceLRUBytes;
+uint64_t  MemoryManager::DeviceMaxBytes = 1024*1024*128;
+uint64_t  MemoryManager::HostToDeviceBytes;
+uint64_t  MemoryManager::DeviceToHostBytes;
+uint64_t  MemoryManager::HostToDeviceXfer;
+uint64_t  MemoryManager::DeviceToHostXfer;
+uint64_t  MemoryManager::DeviceEvictions;
+uint64_t  MemoryManager::DeviceDestroy;
+
+////////////////////////////////////
+// Priority ordering for unlocked entries
+//  Empty
+//  CpuDirty 
+//  Consistent
+//  AccDirty
+////////////////////////////////////
+#define Empty         (0x0)  /*Entry unoccupied  */
+#define CpuDirty      (0x1)  /*CPU copy is golden, Acc buffer MAY not be allocated*/
+#define Consistent    (0x2)  /*ACC copy AND CPU copy are valid */
+#define AccDirty      (0x4)  /*ACC copy is golden */
+#define EvictNext     (0x8)  /*Priority for eviction*/
+
+/////////////////////////////////////////////////
+// Mechanics of data table maintenance
+/////////////////////////////////////////////////
+int   MemoryManager::EntryPresent(uint64_t CpuPtr)
+{
+  if(AccViewTable.empty()) return 0;
+
+  auto count = AccViewTable.count(CpuPtr);  assert((count==0)||(count==1));
+  return count;
+}
+void  MemoryManager::EntryCreate(uint64_t CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint)
+{
+  assert(!EntryPresent(CpuPtr));
+  AcceleratorViewEntry AccCache;
+  AccCache.CpuPtr = CpuPtr;
+  AccCache.AccPtr = (uint64_t)NULL;
+  AccCache.bytes  = bytes;
+  AccCache.state  = CpuDirty;
+  AccCache.LRU_valid=0;
+  AccCache.transient=0;
+  AccCache.accLock=0;
+  AccCache.cpuLock=0;
+  AccViewTable[CpuPtr] = AccCache;
+}
+MemoryManager::AccViewTableIterator MemoryManager::EntryLookup(uint64_t CpuPtr)
+{
+  assert(EntryPresent(CpuPtr));
+  auto AccCacheIterator = AccViewTable.find(CpuPtr);
+  assert(AccCacheIterator!=AccViewTable.end());
+  return AccCacheIterator;
+}
+void MemoryManager::EntryErase(uint64_t CpuPtr)
+{
+  auto AccCache = EntryLookup(CpuPtr);
+  AccViewTable.erase(CpuPtr);
+}
+void  MemoryManager::LRUinsert(AcceleratorViewEntry &AccCache)
+{
+  assert(AccCache.LRU_valid==0);
+  if (AccCache.transient) { 
+    LRU.push_back(AccCache.CpuPtr);
+    AccCache.LRU_entry = --LRU.end();
+  } else {
+    LRU.push_front(AccCache.CpuPtr);
+    AccCache.LRU_entry = LRU.begin();
+  }
+  AccCache.LRU_valid = 1;
+  DeviceLRUBytes+=AccCache.bytes;
+}
+void  MemoryManager::LRUremove(AcceleratorViewEntry &AccCache)
+{
+  assert(AccCache.LRU_valid==1);
+  LRU.erase(AccCache.LRU_entry);
+  AccCache.LRU_valid = 0;
+  DeviceLRUBytes-=AccCache.bytes;
+}
+/////////////////////////////////////////////////
+// Accelerator cache motion & consistency logic
+/////////////////////////////////////////////////
+void MemoryManager::AccDiscard(AcceleratorViewEntry &AccCache)
+{
+  ///////////////////////////////////////////////////////////
+  // Remove from Accelerator, remove entry, without flush
+  // Cannot be locked. If allocated Must be in LRU pool.
+  ///////////////////////////////////////////////////////////
+  assert(AccCache.state!=Empty);
+  
+  mprintf("MemoryManager: Discard(%lx) %lx\n",(uint64_t)AccCache.CpuPtr,(uint64_t)AccCache.AccPtr); 
+  assert(AccCache.accLock==0);
+  assert(AccCache.cpuLock==0);
+  assert(AccCache.CpuPtr!=(uint64_t)NULL);
+  if(AccCache.AccPtr) {
+    AcceleratorFree((void *)AccCache.AccPtr,AccCache.bytes);
+    DeviceDestroy++;
+    DeviceBytes   -=AccCache.bytes;
+    LRUremove(AccCache);
+    AccCache.AccPtr=(uint64_t) NULL;
+    dprintf("MemoryManager: Free(%lx) LRU %ld Total %ld\n",(uint64_t)AccCache.AccPtr,DeviceLRUBytes,DeviceBytes);  
+  }
+  uint64_t CpuPtr = AccCache.CpuPtr;
+  EntryErase(CpuPtr);
+}
+
+void MemoryManager::Evict(AcceleratorViewEntry &AccCache)
+{
+  ///////////////////////////////////////////////////////////////////////////
+  // Make CPU consistent, remove from Accelerator, remove from LRU, LEAVE CPU only entry
+  // Cannot be acclocked. If allocated must be in LRU pool.
+  //
+  // Nov 2022... Felix issue: Allocating two CpuPtrs, can have an entry in LRU-q with CPUlock.
+  //                          and require to evict the AccPtr copy. Eviction was a mistake in CpuViewOpen
+  //                          but there is a weakness where CpuLock entries are attempted for erase
+  //                          Take these OUT LRU queue when CPU locked?
+  //                          Cannot take out the table as cpuLock data is important.
+  ///////////////////////////////////////////////////////////////////////////
+  assert(AccCache.state!=Empty);
+  
+  mprintf("MemoryManager: Evict cpu %lx acc %lx cpuLock %ld accLock %ld\n",
+	  (uint64_t)AccCache.CpuPtr,(uint64_t)AccCache.AccPtr,
+	  (uint64_t)AccCache.cpuLock,(uint64_t)AccCache.accLock); 
+  if (AccCache.accLock!=0) return;
+  if (AccCache.cpuLock!=0) return;
+  if(AccCache.state==AccDirty) {
+    Flush(AccCache);
+  }
+  if(AccCache.AccPtr) {
+    AcceleratorFree((void *)AccCache.AccPtr,AccCache.bytes);
+    LRUremove(AccCache);
+    AccCache.AccPtr=(uint64_t)NULL;
+    AccCache.state=CpuDirty; // CPU primary now
+    DeviceBytes   -=AccCache.bytes;
+    dprintf("MemoryManager: Free(%lx) footprint now %ld \n",(uint64_t)AccCache.AccPtr,DeviceBytes);  
+  }
+  //  uint64_t CpuPtr = AccCache.CpuPtr;
+  DeviceEvictions++;
+  //  EntryErase(CpuPtr);
+}
+void MemoryManager::Flush(AcceleratorViewEntry &AccCache)
+{
+  assert(AccCache.state==AccDirty);
+  assert(AccCache.cpuLock==0);
+  assert(AccCache.accLock==0);
+  assert(AccCache.AccPtr!=(uint64_t)NULL);
+  assert(AccCache.CpuPtr!=(uint64_t)NULL);
+  acceleratorCopyFromDevice((void *)AccCache.AccPtr,(void *)AccCache.CpuPtr,AccCache.bytes);
+  mprintf("MemoryManager: Flush  %lx -> %lx\n",(uint64_t)AccCache.AccPtr,(uint64_t)AccCache.CpuPtr); fflush(stdout);
+  DeviceToHostBytes+=AccCache.bytes;
+  DeviceToHostXfer++;
+  AccCache.state=Consistent;
+}
+void MemoryManager::Clone(AcceleratorViewEntry &AccCache)
+{
+  assert(AccCache.state==CpuDirty);
+  assert(AccCache.cpuLock==0);
+  assert(AccCache.accLock==0);
+  assert(AccCache.CpuPtr!=(uint64_t)NULL);
+  if(AccCache.AccPtr==(uint64_t)NULL){
+    AccCache.AccPtr=(uint64_t)AcceleratorAllocate(AccCache.bytes);
+    DeviceBytes+=AccCache.bytes;
+  }
+  mprintf("MemoryManager: Clone %lx <- %lx\n",(uint64_t)AccCache.AccPtr,(uint64_t)AccCache.CpuPtr); fflush(stdout);
+  acceleratorCopyToDevice((void *)AccCache.CpuPtr,(void *)AccCache.AccPtr,AccCache.bytes);
+  HostToDeviceBytes+=AccCache.bytes;
+  HostToDeviceXfer++;
+  AccCache.state=Consistent;
+}
+
+void MemoryManager::CpuDiscard(AcceleratorViewEntry &AccCache)
+{
+  assert(AccCache.state!=Empty);
+  assert(AccCache.cpuLock==0);
+  assert(AccCache.accLock==0);
+  assert(AccCache.CpuPtr!=(uint64_t)NULL);
+  if(AccCache.AccPtr==(uint64_t)NULL){
+    AccCache.AccPtr=(uint64_t)AcceleratorAllocate(AccCache.bytes);
+    DeviceBytes+=AccCache.bytes;
+  }
+  AccCache.state=AccDirty;
+}
+
+/////////////////////////////////////////////////////////////////////////////////
+// View management
+/////////////////////////////////////////////////////////////////////////////////
+void MemoryManager::ViewClose(void* Ptr,ViewMode mode)
+{
+  if( (mode==AcceleratorRead)||(mode==AcceleratorWrite)||(mode==AcceleratorWriteDiscard) ){
+    dprintf("AcceleratorViewClose %lx\n",(uint64_t)Ptr);
+    AcceleratorViewClose((uint64_t)Ptr);
+  } else if( (mode==CpuRead)||(mode==CpuWrite)){
+    CpuViewClose((uint64_t)Ptr);
+  } else { 
+    assert(0);
+  }
+}
+void *MemoryManager::ViewOpen(void* _CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint)
+{
+  uint64_t CpuPtr = (uint64_t)_CpuPtr;
+  if( (mode==AcceleratorRead)||(mode==AcceleratorWrite)||(mode==AcceleratorWriteDiscard) ){
+    dprintf("AcceleratorViewOpen %lx\n",(uint64_t)CpuPtr);
+    return (void *) AcceleratorViewOpen(CpuPtr,bytes,mode,hint);
+  } else if( (mode==CpuRead)||(mode==CpuWrite)){
+    return (void *)CpuViewOpen(CpuPtr,bytes,mode,hint);
+  } else { 
+    assert(0);
+    return NULL;
+  }
+}
+void  MemoryManager::EvictVictims(uint64_t bytes)
+{
+  assert(bytes<DeviceMaxBytes);
+  while(bytes+DeviceLRUBytes > DeviceMaxBytes){
+    if ( DeviceLRUBytes > 0){
+      assert(LRU.size()>0);
+      uint64_t victim = LRU.back(); // From the LRU
+      auto AccCacheIterator = EntryLookup(victim);
+      auto & AccCache = AccCacheIterator->second;
+      Evict(AccCache);
+    } else {
+      return;
+    }
+  }
+}
+uint64_t MemoryManager::AcceleratorViewOpen(uint64_t CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint)
+{
+  ////////////////////////////////////////////////////////////////////////////
+  // Find if present, otherwise get or force an empty
+  ////////////////////////////////////////////////////////////////////////////
+  if ( EntryPresent(CpuPtr)==0 ){
+    EntryCreate(CpuPtr,bytes,mode,hint);
+  }
+
+  auto AccCacheIterator = EntryLookup(CpuPtr);
+  auto & AccCache = AccCacheIterator->second;
+  if (!AccCache.AccPtr) {
+    EvictVictims(bytes); 
+  } 
+  assert((mode==AcceleratorRead)||(mode==AcceleratorWrite)||(mode==AcceleratorWriteDiscard));
+
+  assert(AccCache.cpuLock==0);  // Programming error
+
+  if(AccCache.state!=Empty) {
+    dprintf("ViewOpen found entry %lx %lx : %ld %ld accLock %ld\n",
+		    (uint64_t)AccCache.CpuPtr,
+		    (uint64_t)CpuPtr,
+		    (uint64_t)AccCache.bytes,
+	            (uint64_t)bytes,
+		    (uint64_t)AccCache.accLock);
+    assert(AccCache.CpuPtr == CpuPtr);
+    assert(AccCache.bytes  ==bytes);
+  }
+/*
+ *  State transitions and actions
+ *
+ *  Action  State   StateNext         Flush    Clone
+ *
+ *  AccRead  Empty   Consistent        -        Y
+ *  AccWrite Empty   AccDirty          -        Y
+ *  AccRead  CpuDirty Consistent       -        Y
+ *  AccWrite CpuDirty AccDirty         -        Y
+ *  AccRead  Consistent Consistent     -        - 
+ *  AccWrite Consistent AccDirty       -        - 
+ *  AccRead  AccDirty   AccDirty       -        - 
+ *  AccWrite AccDirty   AccDirty       -        - 
+ */
+  if(AccCache.state==Empty) {
+    assert(AccCache.LRU_valid==0);
+    AccCache.CpuPtr = CpuPtr;
+    AccCache.AccPtr = (uint64_t)NULL;
+    AccCache.bytes  = bytes;
+    AccCache.state  = CpuDirty;   // Cpu starts primary
+    if(mode==AcceleratorWriteDiscard){
+      CpuDiscard(AccCache);
+      AccCache.state  = AccDirty;   // Empty + AcceleratorWrite=> AccDirty
+    } else if(mode==AcceleratorWrite){
+      Clone(AccCache);
+      AccCache.state  = AccDirty;   // Empty + AcceleratorWrite=> AccDirty
+    } else {
+      Clone(AccCache);
+      AccCache.state  = Consistent; // Empty + AccRead => Consistent
+    }
+    AccCache.accLock= 1;
+    dprintf("Copied Empty entry into device accLock= %d\n",AccCache.accLock);
+  } else if(AccCache.state==CpuDirty ){
+    if(mode==AcceleratorWriteDiscard) {
+      CpuDiscard(AccCache);
+      AccCache.state  = AccDirty;   // CpuDirty + AcceleratorWrite=> AccDirty
+    } else if(mode==AcceleratorWrite) {
+      Clone(AccCache);
+      AccCache.state  = AccDirty;   // CpuDirty + AcceleratorWrite=> AccDirty
+    } else {
+      Clone(AccCache);
+      AccCache.state  = Consistent; // CpuDirty + AccRead => Consistent
+    }
+    AccCache.accLock++;
+    dprintf("CpuDirty entry into device ++accLock= %d\n",AccCache.accLock);
+  } else if(AccCache.state==Consistent) {
+    if((mode==AcceleratorWrite)||(mode==AcceleratorWriteDiscard))
+      AccCache.state  = AccDirty;   // Consistent + AcceleratorWrite=> AccDirty
+    else
+      AccCache.state  = Consistent; // Consistent + AccRead => Consistent
+    AccCache.accLock++;
+    dprintf("Consistent entry into device ++accLock= %d\n",AccCache.accLock);
+  } else if(AccCache.state==AccDirty) {
+    if((mode==AcceleratorWrite)||(mode==AcceleratorWriteDiscard))
+      AccCache.state  = AccDirty; // AccDirty + AcceleratorWrite=> AccDirty
+    else
+      AccCache.state  = AccDirty; // AccDirty + AccRead => AccDirty
+    AccCache.accLock++;
+    dprintf("AccDirty entry ++accLock= %d\n",AccCache.accLock);
+  } else {
+    assert(0);
+  }
+
+  assert(AccCache.accLock>0);
+  // If view is opened on device must remove from LRU
+  if(AccCache.LRU_valid==1){
+    // must possibly remove from LRU as now locked on GPU
+    dprintf("AccCache entry removed from LRU \n");
+    LRUremove(AccCache);
+  }
+
+  int transient =hint;
+  AccCache.transient= transient? EvictNext : 0;
+
+  return AccCache.AccPtr;
+}
+////////////////////////////////////
+// look up & decrement lock count
+////////////////////////////////////
+void MemoryManager::AcceleratorViewClose(uint64_t CpuPtr)
+{
+  auto AccCacheIterator = EntryLookup(CpuPtr);
+  auto & AccCache = AccCacheIterator->second;
+
+  assert(AccCache.cpuLock==0);
+  assert(AccCache.accLock>0);
+
+  AccCache.accLock--;
+  // Move to LRU queue if not locked and close on device
+  if(AccCache.accLock==0) {
+    dprintf("AccleratorViewClose %lx AccLock decremented to %ld move to LRU queue\n",(uint64_t)CpuPtr,(uint64_t)AccCache.accLock);
+    LRUinsert(AccCache);
+  } else {
+    dprintf("AccleratorViewClose %lx AccLock decremented to %ld\n",(uint64_t)CpuPtr,(uint64_t)AccCache.accLock);
+  }
+}
+void MemoryManager::CpuViewClose(uint64_t CpuPtr)
+{
+  auto AccCacheIterator = EntryLookup(CpuPtr);
+  auto & AccCache = AccCacheIterator->second;
+
+  assert(AccCache.cpuLock>0);
+  assert(AccCache.accLock==0);
+
+  AccCache.cpuLock--;
+}
+/*
+ *  Action  State   StateNext         Flush    Clone
+ *
+ *  CpuRead  Empty   CpuDirty          -        -
+ *  CpuWrite Empty   CpuDirty          -        -
+ *  CpuRead  CpuDirty CpuDirty         -        -
+ *  CpuWrite CpuDirty CpuDirty         -        - 
+ *  CpuRead  Consistent Consistent     -        - 
+ *  CpuWrite Consistent CpuDirty       -        - 
+ *  CpuRead  AccDirty   Consistent     Y        -
+ *  CpuWrite AccDirty   CpuDirty       Y        -
+ */
+uint64_t MemoryManager::CpuViewOpen(uint64_t CpuPtr,size_t bytes,ViewMode mode,ViewAdvise transient)
+{
+  ////////////////////////////////////////////////////////////////////////////
+  // Find if present, otherwise get or force an empty
+  ////////////////////////////////////////////////////////////////////////////
+  if ( EntryPresent(CpuPtr)==0 ){
+    EntryCreate(CpuPtr,bytes,mode,transient);
+  }
+
+  auto AccCacheIterator = EntryLookup(CpuPtr);
+  auto & AccCache = AccCacheIterator->second;
+
+  // CPU doesn't need to free space
+  //  if (!AccCache.AccPtr) {
+  //    EvictVictims(bytes);
+  //  }
+
+  assert((mode==CpuRead)||(mode==CpuWrite));
+  assert(AccCache.accLock==0);  // Programming error
+
+  if(AccCache.state!=Empty) {
+    assert(AccCache.CpuPtr == CpuPtr);
+    assert(AccCache.bytes==bytes);
+  }
+
+  if(AccCache.state==Empty) {
+    AccCache.CpuPtr = CpuPtr;
+    AccCache.AccPtr = (uint64_t)NULL;
+    AccCache.bytes  = bytes;
+    AccCache.state  = CpuDirty; // Empty + CpuRead/CpuWrite => CpuDirty
+    AccCache.accLock= 0;
+    AccCache.cpuLock= 1;
+  } else if(AccCache.state==CpuDirty ){
+    // AccPtr dont care, deferred allocate
+    AccCache.state = CpuDirty; // CpuDirty +CpuRead/CpuWrite => CpuDirty
+    AccCache.cpuLock++;
+  } else if(AccCache.state==Consistent) {
+    assert(AccCache.AccPtr != (uint64_t)NULL);
+    if(mode==CpuWrite)
+      AccCache.state = CpuDirty;   // Consistent +CpuWrite => CpuDirty
+    else 
+      AccCache.state = Consistent; // Consistent +CpuRead  => Consistent
+    AccCache.cpuLock++;
+  } else if(AccCache.state==AccDirty) {
+    assert(AccCache.AccPtr != (uint64_t)NULL);
+    Flush(AccCache);
+    if(mode==CpuWrite) AccCache.state = CpuDirty;   // AccDirty +CpuWrite => CpuDirty, Flush
+    else            AccCache.state = Consistent; // AccDirty +CpuRead  => Consistent, Flush
+    AccCache.cpuLock++;
+  } else {
+    assert(0); // should be unreachable
+  }
+
+  AccCache.transient= transient? EvictNext : 0;
+
+  return AccCache.CpuPtr;
+}
+void  MemoryManager::NotifyDeletion(void *_ptr)
+{
+  // Look up in ViewCache
+  uint64_t ptr = (uint64_t)_ptr;
+  if(EntryPresent(ptr)) {
+    auto e = EntryLookup(ptr);
+    AccDiscard(e->second);
+  }
+}
+void  MemoryManager::Print(void)
+{
+  PrintBytes();
+  std::cout << GridLogMessage << "--------------------------------------------" << std::endl;
+  std::cout << GridLogMessage << "Memory Manager                             " << std::endl;
+  std::cout << GridLogMessage << "--------------------------------------------" << std::endl;
+  std::cout << GridLogMessage << DeviceBytes   << " bytes allocated on device " << std::endl;
+  std::cout << GridLogMessage << DeviceLRUBytes<< " bytes evictable on device " << std::endl;
+  std::cout << GridLogMessage << DeviceMaxBytes<< " bytes max on device       " << std::endl;
+  std::cout << GridLogMessage << HostToDeviceXfer << " transfers        to   device " << std::endl;
+  std::cout << GridLogMessage << DeviceToHostXfer << " transfers        from device " << std::endl;
+  std::cout << GridLogMessage << HostToDeviceBytes<< " bytes transfered to   device " << std::endl;
+  std::cout << GridLogMessage << DeviceToHostBytes<< " bytes transfered from device " << std::endl;
+  std::cout << GridLogMessage << DeviceEvictions  << " Evictions from device " << std::endl;
+  std::cout << GridLogMessage << DeviceDestroy    << " Destroyed vectors on device " << std::endl;
+  std::cout << GridLogMessage << AccViewTable.size()<< " vectors " << LRU.size()<<" evictable"<< std::endl;
+  std::cout << GridLogMessage << "--------------------------------------------" << std::endl;
+}
+void  MemoryManager::PrintAll(void)
+{
+  Print();
+  std::cout << GridLogMessage << std::endl;
+  std::cout << GridLogMessage << "--------------------------------------------" << std::endl;
+  std::cout << GridLogMessage << "CpuAddr\t\tAccAddr\t\tState\t\tcpuLock\taccLock\tLRU_valid "<<std::endl;
+  std::cout << GridLogMessage << "--------------------------------------------" << std::endl;
+  for(auto it=AccViewTable.begin();it!=AccViewTable.end();it++){
+    auto &AccCache = it->second;
+    
+    std::string str;
+    if ( AccCache.state==Empty    ) str = std::string("Empty");
+    if ( AccCache.state==CpuDirty ) str = std::string("CpuDirty");
+    if ( AccCache.state==AccDirty ) str = std::string("AccDirty");
+    if ( AccCache.state==Consistent)str = std::string("Consistent");
+
+    std::cout << GridLogMessage << "0x"<<std::hex<<AccCache.CpuPtr<<std::dec
+	      << "\t0x"<<std::hex<<AccCache.AccPtr<<std::dec<<"\t" <<str
+	      << "\t" << AccCache.cpuLock
+	      << "\t" << AccCache.accLock
+	      << "\t" << AccCache.LRU_valid<<std::endl;
+  }
+  std::cout << GridLogMessage << "--------------------------------------------" << std::endl;
+
+};
+int   MemoryManager::isOpen   (void* _CpuPtr) 
+{ 
+  uint64_t CpuPtr = (uint64_t)_CpuPtr;
+  if ( EntryPresent(CpuPtr) ){
+    auto AccCacheIterator = EntryLookup(CpuPtr);
+    auto & AccCache = AccCacheIterator->second;
+    return AccCache.cpuLock+AccCache.accLock;
+  } else { 
+    return 0;
+  }
+}
+void MemoryManager::Audit(std::string s)
+{
+  uint64_t CpuBytes=0;
+  uint64_t AccBytes=0;
+  uint64_t LruBytes1=0;
+  uint64_t LruBytes2=0;
+  uint64_t LruCnt=0;
+  
+  std::cout << " Memory Manager::Audit() from "<<s<<std::endl;
+  for(auto it=LRU.begin();it!=LRU.end();it++){
+    uint64_t cpuPtr = *it;
+    assert(EntryPresent(cpuPtr));
+    auto AccCacheIterator = EntryLookup(cpuPtr);
+    auto & AccCache = AccCacheIterator->second;
+    LruBytes2+=AccCache.bytes;
+    assert(AccCache.LRU_valid==1);
+    assert(AccCache.LRU_entry==it);
+  }
+  std::cout << " Memory Manager::Audit() LRU queue matches table entries "<<std::endl;
+
+  for(auto it=AccViewTable.begin();it!=AccViewTable.end();it++){
+    auto &AccCache = it->second;
+    
+    std::string str;
+    if ( AccCache.state==Empty    ) str = std::string("Empty");
+    if ( AccCache.state==CpuDirty ) str = std::string("CpuDirty");
+    if ( AccCache.state==AccDirty ) str = std::string("AccDirty");
+    if ( AccCache.state==Consistent)str = std::string("Consistent");
+
+    CpuBytes+=AccCache.bytes;
+    if( AccCache.AccPtr )    AccBytes+=AccCache.bytes;
+    if( AccCache.LRU_valid ) LruBytes1+=AccCache.bytes;
+    if( AccCache.LRU_valid ) LruCnt++;
+    
+    if ( AccCache.cpuLock || AccCache.accLock ) {
+      assert(AccCache.LRU_valid==0);
+
+      std::cout << GridLogError << s<< "\n\t 0x"<<std::hex<<AccCache.CpuPtr<<std::dec
+		<< "\t0x"<<std::hex<<AccCache.AccPtr<<std::dec<<"\t" <<str
+		<< "\t cpuLock  " << AccCache.cpuLock
+		<< "\t accLock  " << AccCache.accLock
+		<< "\t LRUvalid " << AccCache.LRU_valid<<std::endl;
+    }
+
+    assert( AccCache.cpuLock== 0 ) ;
+    assert( AccCache.accLock== 0 ) ;
+  }
+  std::cout << " Memory Manager::Audit() no locked table entries "<<std::endl;
+  assert(LruBytes1==LruBytes2);
+  assert(LruBytes1==DeviceLRUBytes);
+  std::cout << " Memory Manager::Audit() evictable bytes matches sum over table "<<std::endl;
+  assert(AccBytes==DeviceBytes);
+  std::cout << " Memory Manager::Audit() device bytes matches sum over table "<<std::endl;
+  assert(LruCnt == LRU.size());
+  std::cout << " Memory Manager::Audit() LRU entry count matches "<<std::endl;
+
+}
+
+void MemoryManager::PrintState(void* _CpuPtr)
+{
+  uint64_t CpuPtr = (uint64_t)_CpuPtr;
+
+  if ( EntryPresent(CpuPtr) ){
+    auto AccCacheIterator = EntryLookup(CpuPtr);
+    auto & AccCache = AccCacheIterator->second;
+    std::string str;
+    if ( AccCache.state==Empty    ) str = std::string("Empty");
+    if ( AccCache.state==CpuDirty ) str = std::string("CpuDirty");
+    if ( AccCache.state==AccDirty ) str = std::string("AccDirty");
+    if ( AccCache.state==Consistent)str = std::string("Consistent");
+    if ( AccCache.state==EvictNext) str = std::string("EvictNext");
+
+    std::cout << GridLogMessage << "CpuAddr\t\tAccAddr\t\tState\t\tcpuLock\taccLock\tLRU_valid "<<std::endl;
+    std::cout << GridLogMessage << "\tx"<<std::hex<<AccCache.CpuPtr<<std::dec
+    << "\tx"<<std::hex<<AccCache.AccPtr<<std::dec<<"\t" <<str
+    << "\t" << AccCache.cpuLock
+    << "\t" << AccCache.accLock
+    << "\t" << AccCache.LRU_valid<<std::endl;
+
+  } else {
+    std::cout << GridLogMessage << "No Entry in AccCache table." << std::endl; 
+  }
+}
+
+NAMESPACE_END(Grid);
+
+#endif

Grid/allocator/MemoryManagerShared.cc

@@ -0,0 +1,31 @@
+#include <Grid/GridCore.h>
+#ifdef GRID_UVM
+
+NAMESPACE_BEGIN(Grid);
+/////////////////////////////////////////////////////////////////////////////////
+// View management is 1:1 address space mapping
+/////////////////////////////////////////////////////////////////////////////////
+uint64_t  MemoryManager::DeviceBytes;
+uint64_t  MemoryManager::DeviceLRUBytes;
+uint64_t  MemoryManager::DeviceMaxBytes = 1024*1024*128;
+uint64_t  MemoryManager::HostToDeviceBytes;
+uint64_t  MemoryManager::DeviceToHostBytes;
+uint64_t  MemoryManager::HostToDeviceXfer;
+uint64_t  MemoryManager::DeviceToHostXfer;
+uint64_t  MemoryManager::DeviceEvictions;
+uint64_t  MemoryManager::DeviceDestroy;
+
+void  MemoryManager::Audit(std::string s){};
+void  MemoryManager::ViewClose(void* AccPtr,ViewMode mode){};
+void *MemoryManager::ViewOpen(void* CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint){ return CpuPtr; };
+int   MemoryManager::isOpen   (void* CpuPtr) { return 0;}
+void  MemoryManager::PrintState(void* CpuPtr)
+{
+std::cout << GridLogMessage << "Host<->Device memory movement not currently managed by Grid." << std::endl;
+};
+void  MemoryManager::Print(void){};
+void  MemoryManager::PrintAll(void){};
+void  MemoryManager::NotifyDeletion(void *ptr){};
+
+NAMESPACE_END(Grid);
+#endif

Grid/allocator/MemoryStats.cc

@@ -1,70 +1,11 @@
 #include <Grid/GridCore.h>
 #include <fcntl.h>
 
-namespace Grid {
+NAMESPACE_BEGIN(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__
@@ -90,7 +31,7 @@ void check_huge_pages(void *Buf,uint64_t BYTES)
       ++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);
@@ -106,20 +47,21 @@ std::string sizeString(const size_t bytes)
   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);
 }
 
-}
+NAMESPACE_END(Grid);
+

Grid/allocator/MemoryStats.h

@@ -0,0 +1,95 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/MemoryStats.h
+
+    Copyright (C) 2015
+
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+
+NAMESPACE_BEGIN(Grid);
+
+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);
+
+NAMESPACE_END(Grid);
+

Grid/cartesian/Cartesian.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,8 +23,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_CARTESIAN_H
 #define GRID_CARTESIAN_H
 

Grid/cartesian/Cartesian_base.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -25,268 +25,267 @@
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_CARTESIAN_BASE_H
 #define GRID_CARTESIAN_BASE_H
 
+NAMESPACE_BEGIN(Grid);
 
-namespace Grid{
-
-  //////////////////////////////////////////////////////////////////////
-  // Commicator provides information on the processor grid
-  //////////////////////////////////////////////////////////////////////
-  //    unsigned long _ndimension;
-  //    std::vector<int> _processors; // processor grid
-  //    int              _processor;  // linear processor rank
-  //    std::vector<int> _processor_coor;  // linear processor rank
-  //////////////////////////////////////////////////////////////////////
-  class GridBase : public CartesianCommunicator , public GridThread {
+//////////////////////////////////////////////////////////////////////
+// Commicator provides information on the processor grid
+//////////////////////////////////////////////////////////////////////
+//    unsigned long _ndimension;
+//    Coordinate _processors; // processor grid
+//    int              _processor;  // linear processor rank
+//    Coordinate _processor_coor;  // linear processor rank
+//////////////////////////////////////////////////////////////////////
+class GridBase : public CartesianCommunicator , public GridThread {
 
 public:
-    int dummy;
-    // Give Lattice access
-    template<class object> friend class Lattice;
+  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) {};
+  GridBase(const Coordinate & processor_grid) : CartesianCommunicator(processor_grid) { LocallyPeriodic=0;}; 
 
-    virtual ~GridBase() = default;
+  GridBase(const Coordinate & processor_grid,
+	   const CartesianCommunicator &parent,
+	   int &split_rank) 
+    : CartesianCommunicator(processor_grid,parent,split_rank) {LocallyPeriodic=0;};
 
+  GridBase(const Coordinate & processor_grid,
+	   const CartesianCommunicator &parent) 
+    : CartesianCommunicator(processor_grid,parent,dummy) {LocallyPeriodic=0;};
 
-    // Physics Grid information.
-    std::vector<int> _simd_layout;// Which dimensions get relayed out over simd lanes.
-    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 
-    std::vector<int> _ostride;    // Outer stride for each dimension
-    std::vector<int> _istride;    // Inner stride i.e. within simd lane
-    int _osites;                  // _isites*_osites = product(dimensions).
-    int _isites;
-    int _fsites;                  // _isites*_osites = product(dimensions).
-    int _gsites;
-    std::vector<int> _slice_block;// subslice information
-    std::vector<int> _slice_stride;
-    std::vector<int> _slice_nblock;
+  virtual ~GridBase() = default;
 
-    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
+  // Physics Grid information.
+  Coordinate _simd_layout;// Which dimensions get relayed out over simd lanes.
+  Coordinate _fdimensions;// (full) Global dimensions of array prior to cb removal
+  Coordinate _gdimensions;// Global dimensions of array after cb removal
+  Coordinate _ldimensions;// local dimensions of array with processor images removed
+  Coordinate _rdimensions;// Reduced local dimensions with simd lane images and processor images removed 
+  Coordinate _ostride;    // Outer stride for each dimension
+  Coordinate _istride;    // Inner stride i.e. within simd lane
+  int _osites;                  // _isites*_osites = product(dimensions).
+  int _isites;
+  int _fsites;                  // _isites*_osites = product(dimensions).
+  int _gsites;
+  Coordinate _slice_block;// subslice information
+  Coordinate _slice_stride;
+  Coordinate _slice_nblock;
 
-    bool _isCheckerBoarded; 
+  Coordinate _lstart;     // local start of array in gcoors _processor_coor[d]*_ldimensions[d]
+  Coordinate _lend  ;     // local end of array in gcoors   _processor_coor[d]*_ldimensions[d]+_ldimensions_[d]-1
+
+  bool _isCheckerBoarded; 
+  int        LocallyPeriodic;
+  Coordinate _checker_dim_mask;
 
 public:
 
-    ////////////////////////////////////////////////////////////////
-    // Checkerboarding interface is virtual and overridden by 
-    // GridCartesian / GridRedBlackCartesian
-    ////////////////////////////////////////////////////////////////
-    virtual int CheckerBoarded(int dim)=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;
-    virtual int CheckerBoardFromOindex (int Oindex)=0;
-    virtual int CheckerBoardFromOindexTable (int Oindex)=0;
+  ////////////////////////////////////////////////////////////////
+  // Checkerboarding interface is virtual and overridden by 
+  // GridCartesian / GridRedBlackCartesian
+  ////////////////////////////////////////////////////////////////
+  virtual int CheckerBoarded(int dim)=0;
+  virtual int CheckerBoard(const Coordinate &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;
+  virtual int CheckerBoardFromOindex (int Oindex)=0;
+  virtual int CheckerBoardFromOindexTable (int Oindex)=0;
 
-    //////////////////////////////////////////////////////////////////////////////////////////////
-    // Local layout calculations
-    //////////////////////////////////////////////////////////////////////////////////////////////
-    // These routines are key. Subdivide the linearised cartesian index into
-    //      "inner" index identifying which simd lane of object<vFcomplex> is associated with coord
-    //      "outer" index identifying which element of _odata in class "Lattice" is associated with coord.
-    //
-    // Compared to, say, Blitz++ we simply need to store BOTH an inner stride and an outer
-    // stride per dimension. The cost of evaluating the indexing information is doubled for an n-dimensional
-    // coordinate. Note, however, for data parallel operations the "inner" indexing cost is not paid and all
-    // lanes are operated upon simultaneously.
+  //////////////////////////////////////////////////////////////////////////////////////////////
+  // Local layout calculations
+  //////////////////////////////////////////////////////////////////////////////////////////////
+  // These routines are key. Subdivide the linearised cartesian index into
+  //      "inner" index identifying which simd lane of object<vFcomplex> is associated with coord
+  //      "outer" index identifying which element of _odata in class "Lattice" is associated with coord.
+  //
+  // Compared to, say, Blitz++ we simply need to store BOTH an inner stride and an outer
+  // stride per dimension. The cost of evaluating the indexing information is doubled for an n-dimensional
+  // coordinate. Note, however, for data parallel operations the "inner" indexing cost is not paid and all
+  // lanes are operated upon simultaneously.
   
-    virtual int oIndex(std::vector<int> &coor)
-    {
-        int idx=0;
-        // Works with either global or local coordinates
-        for(int d=0;d<_ndimension;d++) 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++) idx+=_istride[d]*(lcoor[d]/_rdimensions[d]);
-        return idx;
-    }
-    inline int oIndexReduced(std::vector<int> &ocoor)
-    {
-      int idx=0; 
-      // ocoor is already reduced so can eliminate the modulo operation
-      // for fast indexing and inline the routine
-      for(int d=0;d<_ndimension;d++) idx+=_ostride[d]*ocoor[d];
-      return idx;
-    }
-    inline void oCoorFromOindex (std::vector<int>& coor,int Oindex){
-      Lexicographic::CoorFromIndex(coor,Oindex,_rdimensions);
-    }
+  virtual int oIndex(Coordinate &coor)
+  {
+    int idx=0;
+    // Works with either global or local coordinates
+    for(int d=0;d<_ndimension;d++) idx+=_ostride[d]*(coor[d]%_rdimensions[d]);
+    return idx;
+  }
+  virtual int iIndex(Coordinate &lcoor)
+  {
+    int idx=0;
+    for(int d=0;d<_ndimension;d++) idx+=_istride[d]*(lcoor[d]/_rdimensions[d]);
+    return idx;
+  }
+  inline int oIndexReduced(Coordinate &ocoor)
+  {
+    int idx=0; 
+    // ocoor is already reduced so can eliminate the modulo operation
+    // for fast indexing and inline the routine
+    for(int d=0;d<_ndimension;d++) idx+=_ostride[d]*ocoor[d];
+    return idx;
+  }
+  inline void oCoorFromOindex (Coordinate& coor,int Oindex){
+    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];
-    }
+  inline void InOutCoorToLocalCoor (Coordinate &ocoor, Coordinate &icoor, Coordinate &lcoor) {
+    lcoor.resize(_ndimension);
+    for (int d = 0; d < _ndimension; d++)
+      lcoor[d] = ocoor[d] + _rdimensions[d] * icoor[d];
+  }
 
-    //////////////////////////////////////////////////////////
-    // SIMD lane addressing
-    //////////////////////////////////////////////////////////
-    inline void iCoorFromIindex(std::vector<int> &coor,int lane)
-    {
-      Lexicographic::CoorFromIndex(coor,lane,_simd_layout);
-    }
+  //////////////////////////////////////////////////////////
+  // SIMD lane addressing
+  //////////////////////////////////////////////////////////
+  inline void iCoorFromIindex(Coordinate &coor,int lane)
+  {
+    Lexicographic::CoorFromIndex(coor,lane,_simd_layout);
+  }
 
-    inline int PermuteDim(int dimension){
-      return _simd_layout[dimension]>1;
-    }
-    inline int PermuteType(int dimension){
-      int permute_type=0;
-      //
-      // FIXME:
-      //
-      // Best way to encode this would be to present a mask 
-      // for which simd dimensions are rotated, and the rotation
-      // size. If there is only one simd dimension rotated, this is just 
-      // a permute. 
-      //
-      // Cases: PermuteType == 1,2,4,8
-      // 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=_ndimension-1;d>dimension;d--){
-        if (_simd_layout[d]>1 ) permute_type++;
+  inline int PermuteDim(int dimension){
+    return _simd_layout[dimension]>1;
+  }
+  inline int PermuteType(int dimension){
+    int permute_type=0;
+    //
+    // Best way to encode this would be to present a mask 
+    // for which simd dimensions are rotated, and the rotation
+    // size. If there is only one simd dimension rotated, this is just 
+    // a permute. 
+    //
+    // Cases: PermuteType == 1,2,4,8
+    // 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;
     }
-    ////////////////////////////////////////////////////////////////
-    // Array sizing queries
-    ////////////////////////////////////////////////////////////////
 
-    inline int iSites(void) const { return _isites; };
-    inline int Nsimd(void)  const { return _isites; };// Synonymous with iSites
-    inline int oSites(void) const { return _osites; };
-    inline int lSites(void) const { return _isites*_osites; }; 
-    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);
+    for(int d=_ndimension-1;d>dimension;d--){
+      if (_simd_layout[d]>1 ) permute_type++;
     }
-    void LocalIndexToLocalCoor(int lidx,std::vector<int> &lcoor){
-      assert(lidx<lSites());
-      Lexicographic::CoorFromIndex(lcoor,lidx,_ldimensions);
+    return permute_type;
+  }
+  ////////////////////////////////////////////////////////////////
+  // Array sizing queries
+  ////////////////////////////////////////////////////////////////
+
+  inline int iSites(void) const { return _isites; };
+  inline int Nsimd(void)  const { return _isites; };// Synonymous with iSites
+  inline int oSites(void) const { return _osites; };
+  inline int lSites(void) const { return _isites*_osites; }; 
+  inline int gSites(void) const { return _isites*_osites*_Nprocessors; }; 
+  inline int Nd    (void) const { return _ndimension;};
+
+  inline const Coordinate LocalStarts(void)             { return _lstart;    };
+  inline const Coordinate &FullDimensions(void)         { return _fdimensions;};
+  inline const Coordinate &GlobalDimensions(void)       { return _gdimensions;};
+  inline const Coordinate &LocalDimensions(void)        { return _ldimensions;};
+  inline const Coordinate &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,Coordinate &gcoor){
+    assert(gidx< gSites());
+    Lexicographic::CoorFromIndex(gcoor,gidx,_gdimensions);
+  }
+  void LocalIndexToLocalCoor(int lidx,Coordinate &lcoor){
+    assert(lidx<lSites());
+    Lexicographic::CoorFromIndex(lcoor,lidx,_ldimensions);
+  }
+  void GlobalCoorToGlobalIndex(const Coordinate & gcoor,int & gidx){
+    gidx=0;
+    int mult=1;
+    for(int mu=0;mu<_ndimension;mu++) {
+      gidx+=mult*gcoor[mu];
+      mult*=_gdimensions[mu];
     }
-    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];
-      }
+  }
+  void GlobalCoorToProcessorCoorLocalCoor(Coordinate &pcoor,Coordinate &lcoor,const Coordinate &gcoor)
+  {
+    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;
     }
-    void GlobalCoorToProcessorCoorLocalCoor(std::vector<int> &pcoor,std::vector<int> &lcoor,const std::vector<int> &gcoor)
-    {
-      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;
-      }
-    }
-    void GlobalCoorToRankIndex(int &rank, int &o_idx, int &i_idx ,const std::vector<int> &gcoor)
-    {
-      std::vector<int> pcoor;
-      std::vector<int> lcoor;
-      GlobalCoorToProcessorCoorLocalCoor(pcoor,lcoor,gcoor);
-      rank = RankFromProcessorCoor(pcoor);
-      /*
-      std::vector<int> cblcoor(lcoor);
+  }
+  void GlobalCoorToRankIndex(int &rank, int &o_idx, int &i_idx ,const Coordinate &gcoor)
+  {
+    Coordinate pcoor;
+    Coordinate lcoor;
+    GlobalCoorToProcessorCoorLocalCoor(pcoor,lcoor,gcoor);
+    rank = RankFromProcessorCoor(pcoor);
+    /*
+      Coordinate 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(lcoor);
-      o_idx= oIndex(lcoor);
-    }
+      }
+    */
+    i_idx= iIndex(lcoor);
+    o_idx= oIndex(lcoor);
+  }
 
-    void RankIndexToGlobalCoor(int rank, int o_idx, int i_idx , std::vector<int> &gcoor)
-    {
-      gcoor.resize(_ndimension);
-      std::vector<int> coor(_ndimension);
+  void RankIndexToGlobalCoor(int rank, int o_idx, int i_idx , Coordinate &gcoor)
+  {
+    gcoor.resize(_ndimension);
+    Coordinate coor(_ndimension);
 
-      ProcessorCoorFromRank(rank,coor);
-      for(int mu=0;mu<_ndimension;mu++) gcoor[mu] = _ldimensions[mu]*coor[mu];
+    ProcessorCoorFromRank(rank,coor);
+    for(int mu=0;mu<_ndimension;mu++) gcoor[mu] = _ldimensions[mu]*coor[mu];
 
-      iCoorFromIindex(coor,i_idx);
-      for(int mu=0;mu<_ndimension;mu++) gcoor[mu] += _rdimensions[mu]*coor[mu];
+    iCoorFromIindex(coor,i_idx);
+    for(int mu=0;mu<_ndimension;mu++) gcoor[mu] += _rdimensions[mu]*coor[mu];
 
-      oCoorFromOindex (coor,o_idx);
-      for(int mu=0;mu<_ndimension;mu++) gcoor[mu] += coor[mu];
+    oCoorFromOindex (coor,o_idx);
+    for(int mu=0;mu<_ndimension;mu++) gcoor[mu] += coor[mu];
       
+  }
+  void RankIndexCbToFullGlobalCoor(int rank, int o_idx, int i_idx, int cb,Coordinate &fcoor)
+  {
+    RankIndexToGlobalCoor(rank,o_idx,i_idx ,fcoor);
+    if(CheckerBoarded(0)){
+      fcoor[0] = fcoor[0]*2+cb;
     }
-    void RankIndexCbToFullGlobalCoor(int rank, int o_idx, int i_idx, int cb,std::vector<int> &fcoor)
-    {
-      RankIndexToGlobalCoor(rank,o_idx,i_idx ,fcoor);
-      if(CheckerBoarded(0)){
-        fcoor[0] = fcoor[0]*2+cb;
-      }
-    }
-    void ProcessorCoorLocalCoorToGlobalCoor(std::vector<int> &Pcoor,std::vector<int> &Lcoor,std::vector<int> &gcoor)
-    {
-      gcoor.resize(_ndimension);
-      for(int mu=0;mu<_ndimension;mu++) gcoor[mu] = Pcoor[mu]*_ldimensions[mu]+Lcoor[mu];
-    }
+  }
+  void ProcessorCoorLocalCoorToGlobalCoor(Coordinate &Pcoor,Coordinate &Lcoor,Coordinate &gcoor)
+  {
+    gcoor.resize(_ndimension);
+    for(int mu=0;mu<_ndimension;mu++) gcoor[mu] = Pcoor[mu]*_ldimensions[mu]+Lcoor[mu];
+  }
 };
 
-
-}
+NAMESPACE_END(Grid);
 #endif

Grid/cartesian/Cartesian_full.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,98 +23,101 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_CARTESIAN_FULL_H
 #define GRID_CARTESIAN_FULL_H
 
-namespace Grid{
+NAMESPACE_BEGIN(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);
-    }
+  int dummy;
+  Coordinate _checker_dim_mask;
+  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 Coordinate &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 Coordinate &dimensions,
+		const Coordinate &simd_layout,
+		const Coordinate &processor_grid,
+		const GridCartesian &parent) : GridBase(processor_grid,parent,dummy)
+  {
+    Init(dimensions,simd_layout,processor_grid);
+  }
+  GridCartesian(const Coordinate &dimensions,
+		const Coordinate &simd_layout,
+		const Coordinate &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 Coordinate &dimensions,
+		const Coordinate &simd_layout,
+		const Coordinate &processor_grid) : GridBase(processor_grid)
+  {
+    Init(dimensions,simd_layout,processor_grid);
+  }
 
-    virtual ~GridCartesian() = default;
+  virtual ~GridCartesian() = default;
 
-    void Init(const std::vector<int> &dimensions,
-	      const std::vector<int> &simd_layout,
-	      const std::vector<int> &processor_grid)
-    {
-      ///////////////////////
-      // Grid information
-      ///////////////////////
+  void Init(const Coordinate &dimensions,
+	    const Coordinate &simd_layout,
+	    const Coordinate &processor_grid)
+  {
+    ///////////////////////
+    // Grid information
+    ///////////////////////
       _isCheckerBoarded = false;
-      _ndimension = dimensions.size();
+    _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);
+    _fdimensions.resize(_ndimension);
+    _gdimensions.resize(_ndimension);
+    _ldimensions.resize(_ndimension);
+    _rdimensions.resize(_ndimension);
+    _simd_layout.resize(_ndimension);
+    _checker_dim_mask.resize(_ndimension);;
+    _lstart.resize(_ndimension);
+    _lend.resize(_ndimension);
 
-      _ostride.resize(_ndimension);
-      _istride.resize(_ndimension);
+    _ostride.resize(_ndimension);
+    _istride.resize(_ndimension);
 
-      _fsites = _gsites = _osites = _isites = 1;
+    _fsites = _gsites = _osites = _isites = 1;
 
-      for (int d = 0; d < _ndimension; d++)
+    for (int d = 0; d < _ndimension; d++)
       {
+	_checker_dim_mask[d]=0;
+
         _fdimensions[d] = dimensions[d];   // Global dimensions
         _gdimensions[d] = _fdimensions[d]; // Global dimensions
         _simd_layout[d] = simd_layout[d];
@@ -136,30 +139,30 @@ public:
 
         // Addressing support
         if (d == 0)
-        {
-          _ostride[d] = 1;
-          _istride[d] = 1;
-        }
+	  {
+	    _ostride[d] = 1;
+	    _istride[d] = 1;
+	  }
         else
-        {
-          _ostride[d] = _ostride[d - 1] * _rdimensions[d - 1];
-          _istride[d] = _istride[d - 1] * _simd_layout[d - 1];
-        }
+	  {
+	    _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);
+    ///////////////////////
+    // 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];
+    int block = 1;
+    int nblock = 1;
+    for (int d = 0; d < _ndimension; d++)
+      nblock *= _rdimensions[d];
 
-      for (int d = 0; d < _ndimension; d++)
+    for (int d = 0; d < _ndimension; d++)
       {
         nblock /= _rdimensions[d];
         _slice_block[d] = block;
@@ -167,8 +170,9 @@ public:
         _slice_nblock[d] = nblock;
         block = block * _rdimensions[d];
       }
-    };
+  };
 
 };
-}
+
+NAMESPACE_END(Grid);
 #endif

Grid/cartesian/Cartesian_red_black.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -24,178 +24,163 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_CARTESIAN_RED_BLACK_H
 #define GRID_CARTESIAN_RED_BLACK_H
 
+NAMESPACE_BEGIN(Grid);
 
-namespace Grid {
+static const int CbRed  =0;
+static const int CbBlack=1;
+static const int Even   =CbRed;
+static const int Odd    =CbBlack;
+
+accelerator_inline int RedBlackCheckerBoardFromOindex (int oindex,const Coordinate &rdim,const Coordinate &chk_dim_msk)
+{
+  int nd=rdim.size();
+  Coordinate coor(nd);
+
+  Lexicographic::CoorFromIndex(coor,oindex,rdim);
+
+  int linear=0;
+  for(int d=0;d<nd;d++){
+    if(chk_dim_msk[d])
+      linear=linear+coor[d];
+  }
+  return (linear&0x1);
+}
 
-  static const int CbRed  =0;
-  static const int CbBlack=1;
-  static const int Even   =CbRed;
-  static const int Odd    =CbBlack;
     
 // Specialise this for red black grids storing half the data like a chess board.
 class GridRedBlackCartesian : public GridBase
 {
 public:
-    std::vector<int> _checker_dim_mask;
-    int              _checker_dim;
-    std::vector<int> _checker_board;
+  //  Coordinate _checker_dim_mask;
+  int              _checker_dim;
+  std::vector<int> _checker_board;
 
-    virtual int CheckerBoarded(int dim){
-      if( dim==_checker_dim) return 1;
-      else return 0;
-    }
-    virtual int CheckerBoard(const std::vector<int> &site){
-      int linear=0;
-      assert(site.size()==_ndimension);
-      for(int d=0;d<_ndimension;d++){ 
-	if(_checker_dim_mask[d])
-	  linear=linear+site[d];
-      }
-      return (linear&0x1);
+  virtual int CheckerBoarded(int dim){
+    if( dim==_checker_dim) return 1;
+    else return 0;
+  }
+  virtual int CheckerBoard(const Coordinate &site){
+    int linear=0;
+    assert(site.size()==_ndimension);
+    for(int d=0;d<_ndimension;d++){ 
+      if(_checker_dim_mask[d])
+	linear=linear+site[d];
     }
+    return (linear&0x1);
+  }
 
+  // Depending on the cb of site, we toggle source cb.
+  // for block #b, element #e = (b, e)
+  // we need 
+  virtual int CheckerBoardShiftForCB(int source_cb,int dim,int shift,int ocb){
+    if(dim != _checker_dim) return shift;
 
-    // Depending on the cb of site, we toggle source cb.
-    // for block #b, element #e = (b, e)
-    // we need 
-    virtual int CheckerBoardShiftForCB(int source_cb,int dim,int shift,int ocb){
-      if(dim != _checker_dim) return shift;
+    int fulldim =_fdimensions[dim];
+    shift = (shift+fulldim)%fulldim;
 
-      int fulldim =_fdimensions[dim];
-      shift = (shift+fulldim)%fulldim;
-
-      // Probably faster with table lookup;
-      // or by looping over x,y,z and multiply rather than computing checkerboard.
+    // Probably faster with table lookup;
+    // or by looping over x,y,z and multiply rather than computing checkerboard.
 	  
-      if ( (source_cb+ocb)&1 ) {
-	return (shift)/2;
-      } else {
-	return (shift+1)/2;
-      }
+    if ( (source_cb+ocb)&1 ) {
+      return (shift)/2;
+    } else {
+      return (shift+1)/2;
     }
-    virtual int  CheckerBoardFromOindexTable (int Oindex) {
-      return _checker_board[Oindex];
-    }
-    virtual int  CheckerBoardFromOindex (int Oindex)
-    {
-      std::vector<int> ocoor;
-      oCoorFromOindex(ocoor,Oindex);
-      return CheckerBoard(ocoor);
-    }
-    virtual int CheckerBoardShift(int source_cb,int dim,int shift,int osite){
+  }
+  virtual int  CheckerBoardFromOindexTable (int Oindex) {
+    return _checker_board[Oindex];
+  }
+  virtual int  CheckerBoardFromOindex (int Oindex)
+  {
+    Coordinate ocoor;
+    oCoorFromOindex(ocoor,Oindex);
+    return CheckerBoard(ocoor);
+  }
+  virtual int CheckerBoardShift(int source_cb,int dim,int shift,int osite){
 
-      if(dim != _checker_dim) return shift;
+    if(dim != _checker_dim) return shift;
 
-      int ocb=CheckerBoardFromOindex(osite);
+    int ocb=CheckerBoardFromOindex(osite);
       
-      return CheckerBoardShiftForCB(source_cb,dim,shift,ocb);
-    }
+    return CheckerBoardShiftForCB(source_cb,dim,shift,ocb);
+  }
     
-    virtual int CheckerBoardDestination(int source_cb,int shift,int dim){
-      if ( _checker_dim_mask[dim]  ) {
-	// If _fdimensions[checker_dim] is odd, then shifting by 1 in other dims
-	// does NOT cause a parity hop.
-	int add=(dim==_checker_dim) ? 0 : _fdimensions[_checker_dim];
-        if ( (shift+add) &0x1) {
-            return 1-source_cb;
-        } else {
-            return source_cb;
-        }
+  virtual int CheckerBoardDestination(int source_cb,int shift,int dim){
+    if ( _checker_dim_mask[dim]  ) {
+      // If _fdimensions[checker_dim] is odd, then shifting by 1 in other dims
+      // does NOT cause a parity hop.
+      int add=(dim==_checker_dim) ? 0 : _fdimensions[_checker_dim];
+      if ( (shift+add) &0x1) {
+	return 1-source_cb;
       } else {
 	return source_cb;
-
       }
-    };
+    } else {
+      return source_cb;
 
-    ////////////////////////////////////////////////////////////
-    // 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);
-    };
-
-    ////////////////////////////////////////////////////////////
-    // 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,*base) 
-    {
-      Init(dimensions,simd_layout,processor_grid,checker_dim_mask,checker_dim);
-    }
+  ////////////////////////////////////////////////////////////
+  // Create Redblack from original grid; require full grid pointer ?
+  ////////////////////////////////////////////////////////////
+  GridRedBlackCartesian(const GridBase *base) : GridBase(base->_processors,*base)
+  {
+    int dims = base->_ndimension;
+    Coordinate checker_dim_mask(dims,1);
+    int checker_dim = 0;
+    Init(base->_fdimensions,base->_simd_layout,base->_processors,checker_dim_mask,checker_dim);
+  };
 
-    ////////////////////////////////////////////////////////////
-    // 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,*base) 
-    {
-      std::vector<int> checker_dim_mask(dimensions.size(),1);
-      int checker_dim = 0;
-      Init(dimensions,simd_layout,processor_grid,checker_dim_mask,checker_dim);
-    }
-#endif
+  ////////////////////////////////////////////////////////////
+  // Create redblack from original grid, with non-trivial checker dim mask
+  ////////////////////////////////////////////////////////////
+  GridRedBlackCartesian(const GridBase *base,
+			const Coordinate &checker_dim_mask,
+			int checker_dim
+			) :  GridBase(base->_processors,*base) 
+  {
+    Init(base->_fdimensions,base->_simd_layout,base->_processors,checker_dim_mask,checker_dim)  ;
+  }
 
-    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)
-    {
+  virtual ~GridRedBlackCartesian() = default;
+
+  void Init(const Coordinate &dimensions,
+	    const Coordinate &simd_layout,
+	    const Coordinate &processor_grid,
+	    const Coordinate &checker_dim_mask,
+	    int checker_dim)
+  {
 
       _isCheckerBoarded = true;
-      _checker_dim = checker_dim;
-      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);
+    _checker_dim = checker_dim;
+    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);
 
-      _fdimensions.resize(_ndimension);
-      _gdimensions.resize(_ndimension);
-      _ldimensions.resize(_ndimension);
-      _rdimensions.resize(_ndimension);
-      _simd_layout.resize(_ndimension);
-      _lstart.resize(_ndimension);
-      _lend.resize(_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);
+    _ostride.resize(_ndimension);
+    _istride.resize(_ndimension);
 
-      _fsites = _gsites = _osites = _isites = 1;
+    _fsites = _gsites = _osites = _isites = 1;
 
-      _checker_dim_mask = checker_dim_mask;
+    _checker_dim_mask = checker_dim_mask;
 
-      for (int d = 0; d < _ndimension; d++)
+    for (int d = 0; d < _ndimension; d++)
       {
         _fdimensions[d] = dimensions[d];
         _gdimensions[d] = _fdimensions[d];
@@ -203,11 +188,11 @@ public:
         _gsites = _gsites * _gdimensions[d];
 
         if (d == _checker_dim)
-        {
-          assert((_gdimensions[d] & 0x1) == 0);
-          _gdimensions[d] = _gdimensions[d] / 2; // Remove a checkerboard
-	  _gsites /= 2;
-        }
+	  {
+	    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];
@@ -222,42 +207,42 @@ public:
         // 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 (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;
-        }
+	  {
+	    _ostride[d] = 1;
+	    _istride[d] = 1;
+	  }
         else
-        {
-          _ostride[d] = _ostride[d - 1] * _rdimensions[d - 1];
-          _istride[d] = _istride[d - 1] * _simd_layout[d - 1];
-        }
+	  {
+	    _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);
+    ////////////////////////////////////////////////////////////////////////////////////////////
+    // 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];
+    int block = 1;
+    int nblock = 1;
+    for (int d = 0; d < _ndimension; d++)
+      nblock *= _rdimensions[d];
 
-      for (int d = 0; d < _ndimension; d++)
+    for (int d = 0; d < _ndimension; d++)
       {
         nblock /= _rdimensions[d];
         _slice_block[d] = block;
@@ -266,55 +251,55 @@ public:
         block = block * _rdimensions[d];
       }
 
-      ////////////////////////////////////////////////
-      // Create a checkerboard lookup table
-      ////////////////////////////////////////////////
-      int rvol = 1;
-      for (int d = 0; d < _ndimension; d++)
+    ////////////////////////////////////////////////
+    // Create a checkerboard lookup table
+    ////////////////////////////////////////////////
+    int rvol = 1;
+    for (int d = 0; d < _ndimension; d++)
       {
         rvol = rvol * _rdimensions[d];
       }
-      _checker_board.resize(rvol);
-      for (int osite = 0; osite < _osites; osite++)
+    _checker_board.resize(rvol);
+    for (int osite = 0; osite < _osites; osite++)
       {
         _checker_board[osite] = CheckerBoardFromOindex(osite);
       }
-    };
+  };
 
-  protected:
-    virtual int oIndex(std::vector<int> &coor)
-    {
-      int idx = 0;
-      for (int d = 0; d < _ndimension; d++)
+protected:
+  virtual int oIndex(Coordinate &coor)
+  {
+    int idx = 0;
+    for (int d = 0; d < _ndimension; d++)
       {
         if (d == _checker_dim)
-        {
-          idx += _ostride[d] * ((coor[d] / 2) % _rdimensions[d]);
-        }
+	  {
+	    idx += _ostride[d] * ((coor[d] / 2) % _rdimensions[d]);
+	  }
         else
-        {
-          idx += _ostride[d] * (coor[d] % _rdimensions[d]);
-        }
+	  {
+	    idx += _ostride[d] * (coor[d] % _rdimensions[d]);
+	  }
       }
-      return idx;
-    };
+    return idx;
+  };
 
-    virtual int iIndex(std::vector<int> &lcoor)
-    {
-      int idx = 0;
-      for (int d = 0; d < _ndimension; d++)
+  virtual int iIndex(Coordinate &lcoor)
+  {
+    int idx = 0;
+    for (int d = 0; d < _ndimension; d++)
       {
         if (d == _checker_dim)
-        {
-          idx += _istride[d] * (lcoor[d] / (2 * _rdimensions[d]));
-        }
+	  {
+	    idx += _istride[d] * (lcoor[d] / (2 * _rdimensions[d]));
+	  }
         else
-        {
-          idx += _istride[d] * (lcoor[d] / _rdimensions[d]);
-        }
+	  {
+	    idx += _istride[d] * (lcoor[d] / _rdimensions[d]);
+	  }
       }
-      return idx;
-    }
+    return idx;
+  }
 };
-}
+NAMESPACE_END(Grid);
 #endif

Grid/communicator/Communicator.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,11 +23,12 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_COMMUNICATOR_H
 #define GRID_COMMUNICATOR_H
 
+#include <Grid/util/Coordinate.h>
 #include <Grid/communicator/SharedMemory.h>
 #include <Grid/communicator/Communicator_base.h>
 

Grid/communicator/Communicator_base.cc

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,15 +23,17 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #include <Grid/GridCore.h>
 #include <fcntl.h>
 #include <unistd.h>
 #include <limits.h>
 #include <sys/mman.h>
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
+
+bool Stencil_force_mpi = true;
 
 ///////////////////////////////////////////////////////////////
 // Info that is setup once and indept of cartesian layout
@@ -47,8 +49,8 @@ int                      CartesianCommunicator::Dimensions(void)        { return
 int                      CartesianCommunicator::IsBoss(void)            { return _processor==0; };
 int                      CartesianCommunicator::BossRank(void)          { return 0; };
 int                      CartesianCommunicator::ThisRank(void)          { return _processor; };
-const std::vector<int> & CartesianCommunicator::ThisProcessorCoor(void) { return _processor_coor; };
-const std::vector<int> & CartesianCommunicator::ProcessorGrid(void)     { return _processors; };
+const Coordinate & CartesianCommunicator::ThisProcessorCoor(void) { return _processor_coor; };
+const Coordinate & CartesianCommunicator::ProcessorGrid(void)     { return _processors; };
 int                      CartesianCommunicator::ProcessorCount(void)    { return _Nprocessors; };
 
 ////////////////////////////////////////////////////////////////////////////////
@@ -72,5 +74,6 @@ void CartesianCommunicator::GlobalSumVector(ComplexD *c,int N)
   GlobalSumVector((double *)c,2*N);
 }
   
-}
+NAMESPACE_END(Grid);
+
 

Grid/communicator/Communicator_base.h

@@ -1,5 +1,4 @@
-
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -24,8 +23,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_COMMUNICATOR_BASE_H
 #define GRID_COMMUNICATOR_BASE_H
 
@@ -34,7 +33,9 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 ///////////////////////////////////
 #include <Grid/communicator/SharedMemory.h>
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
+
+extern bool Stencil_force_mpi ;
 
 class CartesianCommunicator : public SharedMemory {
 
@@ -52,10 +53,11 @@ public:
   // 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;
+  Coordinate _shm_processors;  // Which dimensions get relayed out over processors lanes.
+  Coordinate _processors;      // Which dimensions get relayed out over processors lanes.
+  Coordinate _processor_coor;  // linear processor coordinate
   static Grid_MPI_Comm      communicator_world;
   Grid_MPI_Comm             communicator;
   std::vector<Grid_MPI_Comm> communicator_halo;
@@ -69,51 +71,56 @@ public:
   // 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);
+  CartesianCommunicator(const Coordinate &processors,const CartesianCommunicator &parent,int &srank);
+  CartesianCommunicator(const Coordinate &pdimensions_in);
   virtual ~CartesianCommunicator();
 
- private:
+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:
+  void InitFromMPICommunicator(const Coordinate &processors, Grid_MPI_Comm communicator_base);
 
+public:
+  
   
   ////////////////////////////////////////////////////////////////////////////////////////
   // Wraps MPI_Cart routines, or implements equivalent on other impls
   ////////////////////////////////////////////////////////////////////////////////////////
   void ShiftedRanks(int dim,int shift,int & source, int & dest);
-  int  RankFromProcessorCoor(std::vector<int> &coor);
-  void ProcessorCoorFromRank(int rank,std::vector<int> &coor);
+  int  RankFromProcessorCoor(Coordinate &coor);
+  void ProcessorCoorFromRank(int rank,Coordinate &coor);
   
   int                      Dimensions(void)        ;
   int                      IsBoss(void)            ;
   int                      BossRank(void)          ;
   int                      ThisRank(void)          ;
-  const std::vector<int> & ThisProcessorCoor(void) ;
-  const std::vector<int> & ProcessorGrid(void)     ;
-  int                      ProcessorCount(void)    ;
+  const Coordinate & ThisProcessorCoor(void) ;
+  const Coordinate & ShmGrid(void)  { return _shm_processors; }  ;
+  const Coordinate & ProcessorGrid(void)     ;
+  int                ProcessorCount(void)    ;
 
   ////////////////////////////////////////////////////////////////////////////////
   // very VERY rarely (Log, serial RNG) we need world without a grid
   ////////////////////////////////////////////////////////////////////////////////
   static int  RankWorld(void) ;
   static void BroadcastWorld(int root,void* data, int bytes);
+  static void BarrierWorld(void);
   
   ////////////////////////////////////////////////////////////
   // Reduction
   ////////////////////////////////////////////////////////////
+  void GlobalMax(RealD &);
+  void GlobalMax(RealF &);
   void GlobalSum(RealF &);
   void GlobalSumVector(RealF *,int N);
   void GlobalSum(RealD &);
   void GlobalSumVector(RealD *,int N);
   void GlobalSum(uint32_t &);
   void GlobalSum(uint64_t &);
+  void GlobalSumVector(uint64_t*,int N);
   void GlobalSum(ComplexF &c);
   void GlobalSumVector(ComplexF *c,int N);
   void GlobalSum(ComplexD &c);
@@ -124,7 +131,7 @@ public:
   template<class obj> void GlobalSum(obj &o){
     typedef typename obj::scalar_type scalar_type;
     int words = sizeof(obj)/sizeof(scalar_type);
-    scalar_type * ptr = (scalar_type *)& o;
+    scalar_type * ptr = (scalar_type *)& o; // Safe alias 
     GlobalSumVector(ptr,words);
   }
   
@@ -137,33 +144,18 @@ public:
 		      int recv_from_rank,
 		      int bytes);
   
-  void SendRecvPacket(void *xmit,
-		      void *recv,
-		      int xmit_to_rank,
-		      int recv_from_rank,
-		      int bytes);
-  
-  void SendToRecvFromBegin(std::vector<CommsRequest_t> &list,
-			   void *xmit,
-			   int xmit_to_rank,
-			   void *recv,
-			   int recv_from_rank,
-			   int bytes);
-  
-  void SendToRecvFromComplete(std::vector<CommsRequest_t> &waitall);
-
   double StencilSendToRecvFrom(void *xmit,
-			       int xmit_to_rank,
+			       int xmit_to_rank,int do_xmit,
 			       void *recv,
-			       int recv_from_rank,
+			       int recv_from_rank,int do_recv,
 			       int bytes,int dir);
 
   double StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 				    void *xmit,
-				    int xmit_to_rank,
+				    int xmit_to_rank,int do_xmit,
 				    void *recv,
-				    int recv_from_rank,
-				    int bytes,int dir);
+				    int recv_from_rank,int do_recv,
+				    int xbytes,int rbytes,int dir);
   
   
   void StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &waitall,int i);
@@ -197,11 +189,12 @@ public:
   void AllToAll(void  *in,void *out,uint64_t words         ,uint64_t bytes);
   
   template<class obj> void Broadcast(int root,obj &data)
-    {
-      Broadcast(root,(void *)&data,sizeof(data));
-    };
+  {
+    Broadcast(root,(void *)&data,sizeof(data));
+  }
 
 }; 
-}
+
+NAMESPACE_END(Grid);
 
 #endif

Grid/communicator/Communicator_mpi3.cc

@@ -1,6 +1,6 @@
 /*************************************************************************************
 
-    Grid physics library, www.github.com/paboyle/Grid 
+    Grid physics library, www.github.com/paboyle/Grid
 
     Source file: ./lib/communicator/Communicator_mpi.cc
 
@@ -23,19 +23,19 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #include <Grid/GridCore.h>
 #include <Grid/communicator/SharedMemory.h>
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
 Grid_MPI_Comm       CartesianCommunicator::communicator_world;
 
 ////////////////////////////////////////////
 // First initialise of comms system
 ////////////////////////////////////////////
-void CartesianCommunicator::Init(int *argc, char ***argv) 
+void CartesianCommunicator::Init(int *argc, char ***argv)
 {
 
   int flag;
@@ -43,20 +43,35 @@ void CartesianCommunicator::Init(int *argc, char ***argv)
 
   MPI_Initialized(&flag); // needed to coexist with other libs apparently
   if ( !flag ) {
+
+#ifndef GRID_COMMS_THREADS
+    nCommThreads=1;
+    // wrong results here too
+    // For now: comms-overlap leads to wrong results in Benchmark_wilson even on single node MPI runs
+    // other comms schemes are ok
+    MPI_Init_thread(argc,argv,MPI_THREAD_SERIALIZED,&provided);
+#else
     MPI_Init_thread(argc,argv,MPI_THREAD_MULTIPLE,&provided);
+#endif
     //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) )
+    if( (nCommThreads == 1) && (provided == MPI_THREAD_SINGLE) ) {
       assert(0);
+    }
+
+    if( (nCommThreads > 1) && (provided != MPI_THREAD_MULTIPLE) ) {
+      assert(0);
+    }
   }
 
   // Never clean up as done once.
   MPI_Comm_dup (MPI_COMM_WORLD,&communicator_world);
 
+  Grid_quiesce_nodes();
   GlobalSharedMemory::Init(communicator_world);
   GlobalSharedMemory::SharedMemoryAllocate(
 		   GlobalSharedMemory::MAX_MPI_SHM_BYTES,
 		   GlobalSharedMemory::Hugepages);
+  Grid_unquiesce_nodes();
 }
 
 ///////////////////////////////////////////////////////////////////////////
@@ -67,14 +82,14 @@ 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 CartesianCommunicator::RankFromProcessorCoor(Coordinate &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)
+void  CartesianCommunicator::ProcessorCoorFromRank(int rank, Coordinate &coor)
 {
   coor.resize(_ndimension);
   int ierr=MPI_Cart_coords  (communicator, rank, _ndimension,&coor[0]);
@@ -84,14 +99,14 @@ void  CartesianCommunicator::ProcessorCoorFromRank(int rank, std::vector<int> &c
 ////////////////////////////////////////////////////////////////////////////////////////////////////////
 // Initialises from communicator_world
 ////////////////////////////////////////////////////////////////////////////////////////////////////////
-CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors) 
+CartesianCommunicator::CartesianCommunicator(const Coordinate &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);
+  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm,_shm_processors);
   InitFromMPICommunicator(processors,optimal_comm);
   SetCommunicator(optimal_comm);
   ///////////////////////////////////////////////////
@@ -103,25 +118,25 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors)
 //////////////////////////////////
 // Try to subdivide communicator
 //////////////////////////////////
-CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,const CartesianCommunicator &parent,int &srank)    
+CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const CartesianCommunicator &parent,int &srank)
 {
-  _ndimension = processors.size();
-
+  _ndimension = processors.size();  assert(_ndimension>=1);
   int parent_ndimension = parent._ndimension; assert(_ndimension >= parent._ndimension);
-  std::vector<int> parent_processor_coor(_ndimension,0);
-  std::vector<int> parent_processors    (_ndimension,1);
-
+  Coordinate parent_processor_coor(_ndimension,0);
+  Coordinate parent_processors    (_ndimension,1);
+  Coordinate shm_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];
+    shm_processors       [pad+d]=parent._shm_processors[d];
   }
 
   //////////////////////////////////////////////////////////////////////////////////////////////////////
   // split the communicator
   //////////////////////////////////////////////////////////////////////////////////////////////////////
-  //  int Nparent = parent._processors ; 
+  //  int Nparent = parent._processors ;
   int Nparent;
   MPI_Comm_size(parent.communicator,&Nparent);
 
@@ -132,54 +147,25 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,
   int Nchild = Nparent/childsize;
   assert (childsize * Nchild == Nparent);
 
-  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
+  Coordinate ccoor(_ndimension); // coor within subcommunicator
+  Coordinate scoor(_ndimension); // coor of split within parent
+  Coordinate 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];
+    if ( processors[d] < shm_processors[d] ) shm_processors[d] = processors[d]; // subnode splitting.
   }
 
   // rank within subcomm ; srank is rank of subcomm within blocks of subcomms
-  int crank;  
+  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;
-    }
+  if ( Nchild > 1 ) {
 
     ////////////////////////////////////////////////////////////////
     // Split the communicator
@@ -202,13 +188,13 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,
   // Take the right SHM buffers
   //////////////////////////////////////////////////////////////////////////////////////////////////////
   SetCommunicator(comm_split);
-  
+
   ///////////////////////////////////////////////
-  // Free the temp communicator 
+  // Free the temp communicator
   ///////////////////////////////////////////////
   MPI_Comm_free(&comm_split);
 
-  if(0){ 
+  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;
@@ -219,7 +205,7 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,
   }
 }
 
-void CartesianCommunicator::InitFromMPICommunicator(const std::vector<int> &processors, MPI_Comm communicator_base)
+void CartesianCommunicator::InitFromMPICommunicator(const Coordinate &processors, MPI_Comm communicator_base)
 {
   ////////////////////////////////////////////////////
   // Creates communicator, and the communicator_halo
@@ -236,7 +222,7 @@ void CartesianCommunicator::InitFromMPICommunicator(const std::vector<int> &proc
     _Nprocessors*=_processors[i];
   }
 
-  std::vector<int> periodic(_ndimension,1);
+  Coordinate 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]);
@@ -269,7 +255,7 @@ CartesianCommunicator::~CartesianCommunicator()
     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);
@@ -279,6 +265,10 @@ 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::GlobalSumVector(uint64_t* u,int N){
+  int ierr=MPI_Allreduce(MPI_IN_PLACE,u,N,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);
@@ -287,6 +277,16 @@ 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::GlobalMax(float &f)
+{
+  int ierr=MPI_Allreduce(MPI_IN_PLACE,&f,1,MPI_FLOAT,MPI_MAX,communicator);
+  assert(ierr==0);
+}
+void CartesianCommunicator::GlobalMax(double &d)
+{
+  int ierr = MPI_Allreduce(MPI_IN_PLACE,&d,1,MPI_DOUBLE,MPI_MAX,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);
@@ -314,80 +314,48 @@ void CartesianCommunicator::SendToRecvFrom(void *xmit,
 					   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)
-{
+  unsigned long  xcrc = crc32(0L, Z_NULL, 0);
+  unsigned long  rcrc = crc32(0L, Z_NULL, 0);
+
   int myrank = _processor;
   int ierr;
 
-  if ( CommunicatorPolicy == CommunicatorPolicyConcurrent ) { 
-    MPI_Request xrq;
-    MPI_Request rrq;
+  // Enforce no UVM in comms, device or host OK
+  assert(acceleratorIsCommunicable(xmit));
+  assert(acceleratorIsCommunicable(recv));
 
-    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);
-  }
+  // Give the CPU to MPI immediately; can use threads to overlap optionally
+  //  printf("proc %d SendToRecvFrom %d bytes Sendrecv \n",_processor,bytes);
+  ierr=MPI_Sendrecv(xmit,bytes,MPI_CHAR,dest,myrank,
+		    recv,bytes,MPI_CHAR,from, from,
+		    communicator,MPI_STATUS_IGNORE);
+  assert(ierr==0);
+
+  //  xcrc = crc32(xcrc,(unsigned char *)xmit,bytes);
+  //  rcrc = crc32(rcrc,(unsigned char *)recv,bytes);
+  //  printf("proc %d SendToRecvFrom %d bytes xcrc %lx rcrc %lx\n",_processor,bytes,xcrc,rcrc); fflush
 }
-
+// Basic Halo comms primitive
 double CartesianCommunicator::StencilSendToRecvFrom( void *xmit,
-						     int dest,
+						     int dest, int dox,
 						     void *recv,
-						     int from,
+						     int from, int dor,
 						     int bytes,int dir)
 {
   std::vector<CommsRequest_t> list;
-  double offbytes = StencilSendToRecvFromBegin(list,xmit,dest,recv,from,bytes,dir);
+  double offbytes = StencilSendToRecvFromBegin(list,xmit,dest,dox,recv,from,dor,bytes,bytes,dir);
   StencilSendToRecvFromComplete(list,dir);
   return offbytes;
 }
 
 double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 							 void *xmit,
-							 int dest,
+							 int dest,int dox,
 							 void *recv,
-							 int from,
-							 int bytes,int dir)
+							 int from,int dor,
+							 int xbytes,int rbytes,int dir)
 {
-  int ncomm  =communicator_halo.size(); 
+  int ncomm  =communicator_halo.size();
   int commdir=dir%ncomm;
 
   MPI_Request xrq;
@@ -402,36 +370,35 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
   assert(from != _processor);
   assert(gme  == ShmRank);
   double off_node_bytes=0.0;
+  int tag;
 
-  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 ( dor ) {
+    if ( (gfrom ==MPI_UNDEFINED) || Stencil_force_mpi ) {
+      tag= dir+from*32;
+      ierr=MPI_Irecv(recv, rbytes, MPI_CHAR,from,tag,communicator_halo[commdir],&rrq);
+      assert(ierr==0);
+      list.push_back(rrq);
+      off_node_bytes+=rbytes;
+    }
   }
-
-  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);
+  
+  if (dox) {
+    if ( (gdest == MPI_UNDEFINED) || Stencil_force_mpi ) {
+      tag= dir+_processor*32;
+      ierr =MPI_Isend(xmit, xbytes, MPI_CHAR,dest,tag,communicator_halo[commdir],&xrq);
+      assert(ierr==0);
+      list.push_back(xrq);
+      off_node_bytes+=xbytes;
+    } else {
+      void *shm = (void *) this->ShmBufferTranslate(dest,recv);
+      assert(shm!=NULL);
+      acceleratorCopyDeviceToDeviceAsynch(xmit,shm,xbytes);
+    }
   }
 
   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)
+void CartesianCommunicator::StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &list,int dir)
 {
   int nreq=list.size();
 
@@ -442,6 +409,13 @@ void CartesianCommunicator::SendToRecvFromComplete(std::vector<CommsRequest_t> &
   assert(ierr==0);
   list.resize(0);
 }
+void CartesianCommunicator::StencilBarrier(void)
+{
+  MPI_Barrier  (ShmComm);
+}
+//void CartesianCommunicator::SendToRecvFromComplete(std::vector<CommsRequest_t> &list)
+//{
+//}
 void CartesianCommunicator::Barrier(void)
 {
   int ierr = MPI_Barrier(communicator);
@@ -456,11 +430,15 @@ void CartesianCommunicator::Broadcast(int root,void* data, int bytes)
 		     communicator);
   assert(ierr==0);
 }
-int CartesianCommunicator::RankWorld(void){ 
-  int r; 
+int CartesianCommunicator::RankWorld(void){
+  int r;
   MPI_Comm_rank(communicator_world,&r);
   return r;
 }
+void CartesianCommunicator::BarrierWorld(void){
+  int ierr = MPI_Barrier(communicator_world);
+  assert(ierr==0);
+}
 void CartesianCommunicator::BroadcastWorld(int root,void* data, int bytes)
 {
   int ierr= MPI_Bcast(data,
@@ -473,7 +451,7 @@ void CartesianCommunicator::BroadcastWorld(int root,void* data, int bytes)
 
 void CartesianCommunicator::AllToAll(int dim,void  *in,void *out,uint64_t words,uint64_t bytes)
 {
-  std::vector<int> row(_ndimension,1);
+  Coordinate row(_ndimension,1);
   assert(dim>=0 && dim<_ndimension);
 
   //  Split the communicator
@@ -490,7 +468,7 @@ void CartesianCommunicator::AllToAll(void  *in,void *out,uint64_t words,uint64_t
   // 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 iwords;
   int ibytes;
   iwords = words;
   ibytes = bytes;
@@ -502,7 +480,4 @@ void CartesianCommunicator::AllToAll(void  *in,void *out,uint64_t words,uint64_t
   MPI_Type_free(&object);
 }
 
-
-
-}
-
+NAMESPACE_END(Grid);

Grid/communicator/Communicator_none.cc

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,11 +23,11 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #include <Grid/GridCore.h>
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
 ///////////////////////////////////////////////////////////////////////////////////////////////////
 // Info that is setup once and indept of cartesian layout
@@ -38,21 +38,23 @@ void CartesianCommunicator::Init(int *argc, char *** arv)
 {
   GlobalSharedMemory::Init(communicator_world);
   GlobalSharedMemory::SharedMemoryAllocate(
-		   GlobalSharedMemory::MAX_MPI_SHM_BYTES,
-		   GlobalSharedMemory::Hugepages);
+					   GlobalSharedMemory::MAX_MPI_SHM_BYTES,
+					   GlobalSharedMemory::Hugepages);
 }
 
-CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,const CartesianCommunicator &parent,int &srank) 
+CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const CartesianCommunicator &parent,int &srank) 
   : CartesianCommunicator(processors) 
 {
+  _shm_processors = Coordinate(processors.size(),1);
   srank=0;
   SetCommunicator(communicator_world);
 }
 
-CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors)
+CartesianCommunicator::CartesianCommunicator(const Coordinate &processors)
 {
+  _shm_processors = Coordinate(processors.size(),1);
   _processors = processors;
-  _ndimension = processors.size();
+  _ndimension = processors.size();  assert(_ndimension>=1);
   _processor_coor.resize(_ndimension);
   
   // Require 1^N processor grid for fake
@@ -67,24 +69,18 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors)
 
 CartesianCommunicator::~CartesianCommunicator(){}
 
+void CartesianCommunicator::GlobalMax(float &){}
+void CartesianCommunicator::GlobalMax(double &){}
 void CartesianCommunicator::GlobalSum(float &){}
 void CartesianCommunicator::GlobalSumVector(float *,int N){}
 void CartesianCommunicator::GlobalSum(double &){}
+void CartesianCommunicator::GlobalSumVector(double *,int N){}
 void CartesianCommunicator::GlobalSum(uint32_t &){}
 void CartesianCommunicator::GlobalSum(uint64_t &){}
-void CartesianCommunicator::GlobalSumVector(double *,int N){}
+void CartesianCommunicator::GlobalSumVector(uint64_t *,int N){}
 void CartesianCommunicator::GlobalXOR(uint32_t &){}
 void CartesianCommunicator::GlobalXOR(uint64_t &){}
 
-void CartesianCommunicator::SendRecvPacket(void *xmit,
-					   void *recv,
-					   int xmit_to_rank,
-					   int recv_from_rank,
-					   int bytes)
-{
-  assert(0);
-}
-
 
 // Basic Halo comms primitive -- should never call in single node
 void CartesianCommunicator::SendToRecvFrom(void *xmit,
@@ -95,20 +91,6 @@ void CartesianCommunicator::SendToRecvFrom(void *xmit,
 {
   assert(0);
 }
-void CartesianCommunicator::SendToRecvFromBegin(std::vector<CommsRequest_t> &list,
-						void *xmit,
-						int dest,
-						void *recv,
-						int from,
-						int bytes)
-{
-  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);
@@ -122,8 +104,9 @@ 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::BarrierWorld(void) { }
+int  CartesianCommunicator::RankFromProcessorCoor(Coordinate &coor) {  return 0;}
+void CartesianCommunicator::ProcessorCoorFromRank(int rank, Coordinate &coor){  coor = _processor_coor; }
 void CartesianCommunicator::ShiftedRanks(int dim,int shift,int &source,int &dest)
 {
   source =0;
@@ -131,35 +114,28 @@ void CartesianCommunicator::ShiftedRanks(int dim,int shift,int &source,int &dest
 }
 
 double CartesianCommunicator::StencilSendToRecvFrom( void *xmit,
-						     int xmit_to_rank,
+						     int xmit_to_rank,int dox,
 						     void *recv,
-						     int recv_from_rank,
+						     int recv_from_rank,int dor,
 						     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,
+							 int xmit_to_rank,int dox,
 							 void *recv,
-							 int recv_from_rank,
-							 int bytes, int dir)
+							 int recv_from_rank,int dor,
+							 int xbytes,int rbytes, int dir)
 {
-  // Discard the "dir"
-  SendToRecvFromBegin(list,xmit,xmit_to_rank,recv,recv_from_rank,bytes);
-  return 2.0*bytes;
+  return xbytes+rbytes;
 }
 void CartesianCommunicator::StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &waitall,int dir)
 {
-  SendToRecvFromComplete(waitall);
 }
 
 void CartesianCommunicator::StencilBarrier(void){};
 
+NAMESPACE_END(Grid);
 
-}
 

Grid/communicator/SharedMemory.cc

@@ -28,10 +28,11 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 #include <Grid/GridCore.h>
 
-namespace Grid { 
+NAMESPACE_BEGIN(Grid); 
 
 // static data
 
+int                 GlobalSharedMemory::HPEhypercube = 1;
 uint64_t            GlobalSharedMemory::MAX_MPI_SHM_BYTES   = 1024LL*1024LL*1024LL; 
 int                 GlobalSharedMemory::Hugepages = 0;
 int                 GlobalSharedMemory::_ShmSetup;
@@ -73,9 +74,12 @@ void *SharedMemory::ShmBufferMalloc(size_t 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;
+    std::cout<< " Current alloc is " << (bytes/(1024*1024)) <<"MB"<<std::endl;
+    std::cout<< " Current bytes is " << (heap_bytes/(1024*1024)) <<"MB"<<std::endl;
+    std::cout<< " Current heap  is " << (heap_size/(1024*1024)) <<"MB"<<std::endl;
     assert(heap_bytes<heap_size);
   }
+  //std::cerr << "ShmBufferMalloc "<<std::hex<< ptr<<" - "<<((uint64_t)ptr+bytes)<<std::dec<<std::endl;
   return ptr;
 }
 void SharedMemory::ShmBufferFreeAll(void) { 
@@ -84,9 +88,62 @@ void SharedMemory::ShmBufferFreeAll(void) {
 }
 void *SharedMemory::ShmBufferSelf(void)
 {
+  //std::cerr << "ShmBufferSelf "<<ShmRank<<" "<<std::hex<< ShmCommBufs[ShmRank] <<std::dec<<std::endl;
   return ShmCommBufs[ShmRank];
 }
-
-
-
+static inline int divides(int a,int b)
+{
+  return ( b == ( (b/a)*a ) );
 }
+void GlobalSharedMemory::GetShmDims(const Coordinate &WorldDims,Coordinate &ShmDims)
+{
+  ////////////////////////////////////////////////////////////////
+  // Allow user to configure through environment variable
+  ////////////////////////////////////////////////////////////////
+  char* str = getenv(("GRID_SHM_DIMS_" + std::to_string(ShmDims.size())).c_str());
+  if ( str ) {
+    std::vector<int> IntShmDims;
+    GridCmdOptionIntVector(std::string(str),IntShmDims);
+    assert(IntShmDims.size() == WorldDims.size());
+    long ShmSize = 1;
+    for (int dim=0;dim<WorldDims.size();dim++) {
+      ShmSize *= (ShmDims[dim] = IntShmDims[dim]);
+      assert(divides(ShmDims[dim],WorldDims[dim]));
+    }
+    assert(ShmSize == WorldShmSize);
+    return;
+  }
+  
+  ////////////////////////////////////////////////////////////////
+  // Powers of 2,3,5 only in prime decomposition for now
+  ////////////////////////////////////////////////////////////////
+  int ndimension = WorldDims.size();
+  ShmDims=Coordinate(ndimension,1);
+
+  std::vector<int> primes({2,3,5});
+
+  int dim = 0;
+  int last_dim = ndimension - 1;
+  int AutoShmSize = 1;
+  while(AutoShmSize != WorldShmSize) {
+    int p;
+    for(p=0;p<primes.size();p++) {
+      int prime=primes[p];
+      if ( divides(prime,WorldDims[dim]/ShmDims[dim])
+        && divides(prime,WorldShmSize/AutoShmSize)  ) {
+  AutoShmSize*=prime;
+  ShmDims[dim]*=prime;
+  last_dim = dim;
+  break;
+      }
+    }
+    if (p == primes.size() && last_dim == dim) {
+      std::cerr << "GlobalSharedMemory::GetShmDims failed" << std::endl;
+      exit(EXIT_FAILURE);
+    }
+    dim=(dim+1) %ndimension;
+  }
+}
+
+NAMESPACE_END(Grid); 
+

Grid/communicator/SharedMemory.h

@@ -25,18 +25,6 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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>
@@ -53,30 +41,33 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <sys/shm.h>
 #include <sys/mman.h>
 #include <zlib.h>
-#ifdef HAVE_NUMAIF_H
-#include <numaif.h>
-#endif
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
 #if defined (GRID_COMMS_MPI3) 
-  typedef MPI_Comm    Grid_MPI_Comm;
-  typedef MPI_Request CommsRequest_t;
+typedef MPI_Comm    Grid_MPI_Comm;
+typedef MPI_Request CommsRequest_t;
 #else 
-  typedef int CommsRequest_t;
-  typedef int Grid_MPI_Comm;
+typedef int CommsRequest_t;
+typedef int Grid_MPI_Comm;
 #endif
 
 class GlobalSharedMemory {
- private:
+private:
   static const int     MAXLOG2RANKSPERNODE = 16;            
 
+
   // Init once lock on the buffer allocation
   static int      _ShmSetup;
   static int      _ShmAlloc;
   static uint64_t _ShmAllocBytes;
 
- public:
+public:
+  ///////////////////////////////////////
+  // HPE 8600 hypercube optimisation
+  ///////////////////////////////////////
+  static int HPEhypercube;
+
   static int      ShmSetup(void)      { return _ShmSetup; }
   static int      ShmAlloc(void)      { return _ShmAlloc; }
   static uint64_t ShmAllocBytes(void) { return _ShmAllocBytes; }
@@ -102,12 +93,18 @@ class GlobalSharedMemory {
   // 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
+  // Turns MPI_COMM_WORLD into right layout for Cartesian
+  static void OptimalCommunicator            (const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &ShmDims); 
+  static void OptimalCommunicatorHypercube   (const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &ShmDims); 
+  static void OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &ShmDims); 
+  static void GetShmDims(const Coordinate &WorldDims,Coordinate &ShmDims);
   ///////////////////////////////////////////////////
   // Provide shared memory facilities off comm world
   ///////////////////////////////////////////////////
   static void SharedMemoryAllocate(uint64_t bytes, int flags);
   static void SharedMemoryFree(void);
+  static void SharedMemoryCopy(void *dest,void *src,size_t bytes);
+  static void SharedMemoryZero(void *dest,size_t bytes);
 
 };
 
@@ -116,14 +113,14 @@ class GlobalSharedMemory {
 //////////////////////////////
 class SharedMemory 
 {
- private:
+private:
   static const int     MAXLOG2RANKSPERNODE = 16;            
 
   size_t heap_top;
   size_t heap_bytes;
   size_t heap_size;
 
- protected:
+protected:
 
   Grid_MPI_Comm    ShmComm; // for barriers
   int    ShmRank; 
@@ -131,7 +128,7 @@ class SharedMemory
   std::vector<void *> ShmCommBufs;
   std::vector<int>    ShmRanks;// Mapping comm ranks to Shm ranks
 
- public:
+public:
   SharedMemory() {};
   ~SharedMemory();
   ///////////////////////////////////////////////////////////////////////////////////////
@@ -148,6 +145,7 @@ class SharedMemory
   // Call on any instance
   ///////////////////////////////////////////////////
   void SharedMemoryTest(void);
+  
   void *ShmBufferSelf(void);
   void *ShmBuffer    (int rank);
   void *ShmBufferTranslate(int rank,void * local_p);
@@ -162,4 +160,5 @@ class SharedMemory
 
 };
 
-}
+NAMESPACE_END(Grid);
+

Grid/communicator/SharedMemoryMPI.cc

@@ -7,6 +7,7 @@
     Copyright (C) 2015
 
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Christoph Lehner <christoph@lhnr.de>
 
     This program is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
@@ -28,9 +29,21 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 #include <Grid/GridCore.h>
 #include <pwd.h>
+#include <syscall.h>
 
-namespace Grid { 
+#ifdef GRID_CUDA
+#include <cuda_runtime_api.h>
+#endif
+#ifdef GRID_HIP
+#include <hip/hip_runtime_api.h>
+#endif
+#ifdef GRID_SYCL
+#define GRID_SYCL_LEVEL_ZERO_IPC
+#endif
 
+
+NAMESPACE_BEGIN(Grid); 
+#define header "SharedMemoryMpi: "
 /*Construct from an MPI communicator*/
 void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
 {
@@ -43,15 +56,26 @@ void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
   /////////////////////////////////////////////////////////////////////
   // Split into groups that can share memory
   /////////////////////////////////////////////////////////////////////
+#ifndef GRID_MPI3_SHM_NONE
   MPI_Comm_split_type(comm, MPI_COMM_TYPE_SHARED, 0, MPI_INFO_NULL,&WorldShmComm);
+#else
+  MPI_Comm_split(comm, WorldRank, 0, &WorldShmComm);
+#endif
+
   MPI_Comm_rank(WorldShmComm     ,&WorldShmRank);
   MPI_Comm_size(WorldShmComm     ,&WorldShmSize);
+
+  if ( WorldRank == 0) {
+    std::cout << header " World communicator of size " <<WorldSize << std::endl;  
+    std::cout << header " Node  communicator of size " <<WorldShmSize << std::endl;
+  }
   // WorldShmComm, WorldShmSize, WorldShmRank
 
   // WorldNodes
   WorldNodes = WorldSize/WorldShmSize;
   assert( (WorldNodes * WorldShmSize) == WorldSize );
 
+
   // FIXME: Check all WorldShmSize are the same ?
 
   /////////////////////////////////////////////////////////////////////
@@ -130,9 +154,25 @@ int Log2Size(int TwoToPower,int MAXLOG2)
   }
   return log2size;
 }
-void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,Grid_MPI_Comm & optimal_comm)
+void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
+{
+  //////////////////////////////////////////////////////////////////////////////
+  // Look and see if it looks like an HPE 8600 based on hostname conventions
+  //////////////////////////////////////////////////////////////////////////////
+  const int namelen = _POSIX_HOST_NAME_MAX;
+  char name[namelen];
+  int R;
+  int I;
+  int N;
+  gethostname(name,namelen);
+  int nscan = sscanf(name,"r%di%dn%d",&R,&I,&N) ;
+
+  if(nscan==3 && HPEhypercube ) OptimalCommunicatorHypercube(processors,optimal_comm,SHM);
+  else                          OptimalCommunicatorSharedMemory(processors,optimal_comm,SHM);
+}
+
+void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
-#ifdef HYPERCUBE
   ////////////////////////////////////////////////////////////////
   // Assert power of two shm_size.
   ////////////////////////////////////////////////////////////////
@@ -173,9 +213,9 @@ void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,
   }
 
   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;
+  //  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.
@@ -197,17 +237,15 @@ void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,
   // 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;
-  }
+  Coordinate processor_coor(ndimension);
+  Coordinate WorldDims = processors;
+  Coordinate ShmDims  (ndimension);  Coordinate NodeDims (ndimension);
+  Coordinate ShmCoor  (ndimension);    Coordinate NodeCoor (ndimension);    Coordinate WorldCoor(ndimension);
+  Coordinate HyperCoor(ndimension);
 
+  GetShmDims(WorldDims,ShmDims);
+  SHM = ShmDims;
+  
   ////////////////////////////////////////////////////////////////
   // Establish torus of processes and nodes with sub-blockings
   ////////////////////////////////////////////////////////////////
@@ -225,7 +263,7 @@ void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,
      HyperCoor[d]=hcoor & msk;  
      HyperCoor[d]=BinaryToGray(HyperCoor[d]); // Space filling curve magic
      hcoor = hcoor >> bits;
-  } 
+  }
   ////////////////////////////////////////////////////////////////
   // Check processor counts match
   ////////////////////////////////////////////////////////////////
@@ -253,27 +291,20 @@ void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,
   /////////////////////////////////////////////////////////////////
   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);
-
+}
+void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
+{
   ////////////////////////////////////////////////////////////////
   // 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;
-  }
+  Coordinate processor_coor(ndimension);
+  Coordinate WorldDims = processors; Coordinate ShmDims(ndimension);  Coordinate NodeDims (ndimension);
+  Coordinate ShmCoor(ndimension);    Coordinate NodeCoor(ndimension);   Coordinate WorldCoor(ndimension);
+
+  GetShmDims(WorldDims,ShmDims);
+  SHM=ShmDims;
 
   ////////////////////////////////////////////////////////////////
   // Establish torus of processes and nodes with sub-blockings
@@ -306,7 +337,6 @@ void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,
   /////////////////////////////////////////////////////////////////
   int ierr= MPI_Comm_split(WorldComm,0,rank,&optimal_comm);
   assert(ierr==0);
-#endif
 }
 ////////////////////////////////////////////////////////////////////////////////////////////
 // SHMGET
@@ -314,7 +344,7 @@ void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,
 #ifdef GRID_MPI3_SHMGET
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << "SharedMemoryAllocate "<< bytes<< " shmget implementation "<<std::endl;
+  std::cout << header "SharedMemoryAllocate "<< bytes<< " shmget implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
 
@@ -337,7 +367,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
         int errsv = errno;
         printf("Errno %d\n",errsv);
         printf("key   %d\n",key);
-        printf("size  %lld\n",size);
+        printf("size  %ld\n",size);
         printf("flags %d\n",flags);
         perror("shmget");
         exit(1);
@@ -369,14 +399,219 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
   _ShmAllocBytes  = bytes;
 }
 #endif
- 
+
 ////////////////////////////////////////////////////////////////////////////////////////////
 // Hugetlbfs mapping intended
 ////////////////////////////////////////////////////////////////////////////////////////////
+#if defined(GRID_CUDA) ||defined(GRID_HIP)  || defined(GRID_SYCL)
+
+//if defined(GRID_SYCL)
+#if 0
+void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
+{
+  void * ShmCommBuf ; 
+  assert(_ShmSetup==1);
+  assert(_ShmAlloc==0);
+
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // allocate the pointer array for shared windows for our group
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  MPI_Barrier(WorldShmComm);
+  WorldShmCommBufs.resize(WorldShmSize);
+
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Each MPI rank should allocate our own buffer
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+  ShmCommBuf = acceleratorAllocDevice(bytes);
+
+  if (ShmCommBuf == (void *)NULL ) {
+    std::cerr << " SharedMemoryMPI.cc acceleratorAllocDevice failed NULL pointer for " << bytes<<" bytes " << std::endl;
+    exit(EXIT_FAILURE);  
+  }
+
+  std::cout << WorldRank << header " SharedMemoryMPI.cc acceleratorAllocDevice "<< bytes 
+	    << "bytes at "<< std::hex<< ShmCommBuf <<std::dec<<" for comms buffers " <<std::endl;
+
+  SharedMemoryZero(ShmCommBuf,bytes);
+
+  assert(WorldShmSize == 1);
+  for(int r=0;r<WorldShmSize;r++){
+    WorldShmCommBufs[r] = ShmCommBuf;
+  }
+  _ShmAllocBytes=bytes;
+  _ShmAlloc=1;
+}
+#endif
+
+#if defined(GRID_CUDA) ||defined(GRID_HIP) ||defined(GRID_SYCL)  
+void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
+{
+  void * ShmCommBuf ; 
+  assert(_ShmSetup==1);
+  assert(_ShmAlloc==0);
+
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // allocate the pointer array for shared windows for our group
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  MPI_Barrier(WorldShmComm);
+  WorldShmCommBufs.resize(WorldShmSize);
+
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // TODO/FIXME : NOT ALL NVLINK BOARDS have full Peer to peer connectivity.
+  // The annoyance is that they have partial peer 2 peer. This occurs on the 8 GPU blades.
+  // e.g. DGX1, supermicro board, 
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  //  cudaDeviceGetP2PAttribute(&perfRank, cudaDevP2PAttrPerformanceRank, device1, device2);
+
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Each MPI rank should allocate our own buffer
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+  ShmCommBuf = acceleratorAllocDevice(bytes);
+  if (ShmCommBuf == (void *)NULL ) {
+    std::cerr << " SharedMemoryMPI.cc acceleratorAllocDevice failed NULL pointer for " << bytes<<" bytes " << std::endl;
+    exit(EXIT_FAILURE);  
+  }
+  if ( WorldRank == 0 ){
+    std::cout << WorldRank << header " SharedMemoryMPI.cc acceleratorAllocDevice "<< bytes 
+	      << "bytes at "<< std::hex<< ShmCommBuf << " - "<<(bytes-1+(uint64_t)ShmCommBuf) <<std::dec<<" for comms buffers " <<std::endl;
+  }
+  SharedMemoryZero(ShmCommBuf,bytes);
+  std::cout<< "Setting up IPC"<<std::endl;
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Loop over ranks/gpu's on our node
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+  for(int r=0;r<WorldShmSize;r++){
+
+#ifndef GRID_MPI3_SHM_NONE
+    //////////////////////////////////////////////////
+    // If it is me, pass around the IPC access key
+    //////////////////////////////////////////////////
+    void * thisBuf = ShmCommBuf;
+    if(!Stencil_force_mpi) {
+#ifdef GRID_SYCL_LEVEL_ZERO_IPC
+    typedef struct { int fd; pid_t pid ; } clone_mem_t;
+
+    auto zeDevice    = cl::sycl::get_native<cl::sycl::backend::level_zero>(theGridAccelerator->get_device());
+    auto zeContext   = cl::sycl::get_native<cl::sycl::backend::level_zero>(theGridAccelerator->get_context());
+      
+    ze_ipc_mem_handle_t ihandle;
+    clone_mem_t handle;
+
+    if ( r==WorldShmRank ) { 
+      auto err = zeMemGetIpcHandle(zeContext,ShmCommBuf,&ihandle);
+      if ( err != ZE_RESULT_SUCCESS ) {
+	std::cout << "SharedMemoryMPI.cc zeMemGetIpcHandle failed for rank "<<r<<" "<<std::hex<<err<<std::dec<<std::endl;
+	exit(EXIT_FAILURE);
+      } else {
+	std::cout << "SharedMemoryMPI.cc zeMemGetIpcHandle succeeded for rank "<<r<<" "<<std::hex<<err<<std::dec<<std::endl;
+      }
+      memcpy((void *)&handle.fd,(void *)&ihandle,sizeof(int));
+      handle.pid = getpid();
+    }
+#endif
+#ifdef GRID_CUDA
+    cudaIpcMemHandle_t handle;
+    if ( r==WorldShmRank ) { 
+      auto err = cudaIpcGetMemHandle(&handle,ShmCommBuf);
+      if ( err !=  cudaSuccess) {
+	std::cerr << " SharedMemoryMPI.cc cudaIpcGetMemHandle failed for rank" << r <<" "<<cudaGetErrorString(err)<< std::endl;
+	exit(EXIT_FAILURE);
+      }
+    }
+#endif
+#ifdef GRID_HIP
+    hipIpcMemHandle_t handle;    
+    if ( r==WorldShmRank ) { 
+      auto err = hipIpcGetMemHandle(&handle,ShmCommBuf);
+      if ( err !=  hipSuccess) {
+	std::cerr << " SharedMemoryMPI.cc hipIpcGetMemHandle failed for rank" << r <<" "<<hipGetErrorString(err)<< std::endl;
+	exit(EXIT_FAILURE);
+      }
+    }
+#endif
+
+    //////////////////////////////////////////////////
+    // Share this IPC handle across the Shm Comm
+    //////////////////////////////////////////////////
+    { 
+      int ierr=MPI_Bcast(&handle,
+			 sizeof(handle),
+			 MPI_BYTE,
+			 r,
+			 WorldShmComm);
+      assert(ierr==0);
+    }
+    
+    ///////////////////////////////////////////////////////////////
+    // If I am not the source, overwrite thisBuf with remote buffer
+    ///////////////////////////////////////////////////////////////
+
+#ifdef GRID_SYCL_LEVEL_ZERO_IPC
+    if ( r!=WorldShmRank ) {
+      thisBuf = nullptr;
+      std::cout<<"mapping seeking remote pid/fd "
+	       <<handle.pid<<"/"
+	       <<handle.fd<<std::endl;
+
+      int pidfd = syscall(SYS_pidfd_open,handle.pid,0);
+      std::cout<<"Using IpcHandle pidfd "<<pidfd<<"\n";
+      //      int myfd  = syscall(SYS_pidfd_getfd,pidfd,handle.fd,0);
+      int myfd  = syscall(438,pidfd,handle.fd,0);
+
+      std::cout<<"Using IpcHandle myfd "<<myfd<<"\n";
+      
+      memcpy((void *)&ihandle,(void *)&myfd,sizeof(int));
+
+      auto err = zeMemOpenIpcHandle(zeContext,zeDevice,ihandle,0,&thisBuf);
+      if ( err != ZE_RESULT_SUCCESS ) {
+	std::cout << "SharedMemoryMPI.cc "<<zeContext<<" "<<zeDevice<<std::endl;
+	std::cout << "SharedMemoryMPI.cc zeMemOpenIpcHandle failed for rank "<<r<<" "<<std::hex<<err<<std::dec<<std::endl; 
+	exit(EXIT_FAILURE);
+      } else {
+	std::cout << "SharedMemoryMPI.cc zeMemOpenIpcHandle succeeded for rank "<<r<<std::endl;
+	std::cout << "SharedMemoryMPI.cc zeMemOpenIpcHandle pointer is "<<std::hex<<thisBuf<<std::dec<<std::endl;
+      }
+      assert(thisBuf!=nullptr);
+    }
+#endif
+#ifdef GRID_CUDA
+    if ( r!=WorldShmRank ) { 
+      auto err = cudaIpcOpenMemHandle(&thisBuf,handle,cudaIpcMemLazyEnablePeerAccess);
+      if ( err !=  cudaSuccess) {
+	std::cerr << " SharedMemoryMPI.cc cudaIpcOpenMemHandle failed for rank" << r <<" "<<cudaGetErrorString(err)<< std::endl;
+	exit(EXIT_FAILURE);
+      }
+    }
+#endif
+#ifdef GRID_HIP
+    if ( r!=WorldShmRank ) { 
+      auto err = hipIpcOpenMemHandle(&thisBuf,handle,hipIpcMemLazyEnablePeerAccess);
+      if ( err !=  hipSuccess) {
+	std::cerr << " SharedMemoryMPI.cc hipIpcOpenMemHandle failed for rank" << r <<" "<<hipGetErrorString(err)<< std::endl;
+	exit(EXIT_FAILURE);
+      }
+    }
+#endif
+    ///////////////////////////////////////////////////////////////
+    // Save a copy of the device buffers
+    ///////////////////////////////////////////////////////////////
+    }
+    WorldShmCommBufs[r] = thisBuf;
+#else
+    WorldShmCommBufs[r] = ShmCommBuf;
+#endif
+  }
+
+  _ShmAllocBytes=bytes;
+  _ShmAlloc=1;
+}
+#endif
+
+#else 
 #ifdef GRID_MPI3_SHMMMAP
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<< GRID_SHM_PATH <<std::endl;
+  std::cout << header "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<< GRID_SHM_PATH <<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
   //////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -413,7 +648,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     assert(((uint64_t)ptr&0x3F)==0);
     close(fd);
     WorldShmCommBufs[r] =ptr;
-    //    std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
+    //    std::cout << header "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
   }
   _ShmAlloc=1;
   _ShmAllocBytes  = bytes;
@@ -423,7 +658,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 #ifdef GRID_MPI3_SHM_NONE
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << "SharedMemoryAllocate "<< bytes<< " MMAP anonymous implementation "<<std::endl;
+  std::cout << header "SharedMemoryAllocate "<< bytes<< " MMAP anonymous implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
   //////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -470,7 +705,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 ////////////////////////////////////////////////////////////////////////////////////////////
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 { 
-  std::cout << "SharedMemoryAllocate "<< bytes<< " SHMOPEN implementation "<<std::endl;
+  std::cout << header "SharedMemoryAllocate "<< bytes<< " SHMOPEN implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0); 
   MPI_Barrier(WorldShmComm);
@@ -499,7 +734,6 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 #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);    
@@ -536,14 +770,31 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
   _ShmAllocBytes = bytes;
 }
 #endif
+#endif // End NVCC case for GPU device buffers
 
-
-
-
-  ////////////////////////////////////////////////////////
-  // Global shared functionality finished
-  // Now move to per communicator functionality
-  ////////////////////////////////////////////////////////
+/////////////////////////////////////////////////////////////////////////
+// Routines accessing shared memory should route through for GPU safety
+/////////////////////////////////////////////////////////////////////////
+void GlobalSharedMemory::SharedMemoryZero(void *dest,size_t bytes)
+{
+#if defined(GRID_CUDA) || defined(GRID_HIP) || defined(GRID_SYCL)
+  acceleratorMemSet(dest,0,bytes);
+#else
+  bzero(dest,bytes);
+#endif
+}
+void GlobalSharedMemory::SharedMemoryCopy(void *dest,void *src,size_t bytes)
+{
+#if defined(GRID_CUDA) || defined(GRID_HIP) || defined(GRID_SYCL)
+  acceleratorCopyToDevice(src,dest,bytes);
+#else   
+  bcopy(src,dest,bytes);
+#endif
+}
+////////////////////////////////////////////////////////
+// Global shared functionality finished
+// Now move to per communicator functionality
+////////////////////////////////////////////////////////
 void SharedMemory::SetCommunicator(Grid_MPI_Comm comm)
 {
   int rank, size;
@@ -554,7 +805,11 @@ void SharedMemory::SetCommunicator(Grid_MPI_Comm comm)
   /////////////////////////////////////////////////////////////////////
   // Split into groups that can share memory
   /////////////////////////////////////////////////////////////////////
+#ifndef GRID_MPI3_SHM_NONE
   MPI_Comm_split_type(comm, MPI_COMM_TYPE_SHARED, 0, MPI_INFO_NULL,&ShmComm);
+#else
+  MPI_Comm_split(comm, rank, 0, &ShmComm);
+#endif
   MPI_Comm_rank(ShmComm     ,&ShmRank);
   MPI_Comm_size(ShmComm     ,&ShmSize);
   ShmCommBufs.resize(ShmSize);
@@ -571,7 +826,6 @@ void SharedMemory::SetCommunicator(Grid_MPI_Comm comm)
     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();
 
@@ -584,6 +838,19 @@ void SharedMemory::SetCommunicator(Grid_MPI_Comm comm)
 
   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]); 
+
+#ifdef GRID_SHM_FORCE_MPI
+  // Hide the shared memory path between ranks
+  {
+    for(int r=0;r<size;r++){
+      if ( r!=rank ) {
+	ShmRanks[r] = MPI_UNDEFINED;
+      }
+    }
+  }
+#endif
+
+  //SharedMemoryTest();
 }
 //////////////////////////////////////////////////////////////////
 // On node barrier
@@ -598,24 +865,26 @@ void SharedMemory::ShmBarrier(void)
 void SharedMemory::SharedMemoryTest(void)
 {
   ShmBarrier();
+  uint64_t check[3];
+  uint64_t magic = 0x5A5A5A;
   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;
+    for(uint64_t r=0;r<ShmSize;r++){
+       check[0]=GlobalSharedMemory::WorldNode;
+       check[1]=r;
+       check[2]=magic;
+       GlobalSharedMemory::SharedMemoryCopy( ShmCommBufs[r], check, 3*sizeof(uint64_t));
     }
   }
   ShmBarrier();
-  for(int r=0;r<ShmSize;r++){
-    uint64_t * check = (uint64_t *) ShmCommBufs[r];
-    
+  for(uint64_t r=0;r<ShmSize;r++){
+    ShmBarrier();
+    GlobalSharedMemory::SharedMemoryCopy(check,ShmCommBufs[r], 3*sizeof(uint64_t));
+    ShmBarrier();
     assert(check[0]==GlobalSharedMemory::WorldNode);
     assert(check[1]==r);
-    assert(check[2]==0x5A5A5A);
-    
+    assert(check[2]==magic);
+    ShmBarrier();
   }
-  ShmBarrier();
 }
 
 void *SharedMemory::ShmBuffer(int rank)
@@ -629,7 +898,6 @@ void *SharedMemory::ShmBuffer(int rank)
 }
 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){
@@ -648,4 +916,5 @@ SharedMemory::~SharedMemory()
   }
 };
 
-}
+NAMESPACE_END(Grid); 
+

Grid/communicator/SharedMemoryNone.cc

@@ -28,7 +28,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 #include <Grid/GridCore.h>
 
-namespace Grid { 
+NAMESPACE_BEGIN(Grid); 
+#define header "SharedMemoryNone: "
 
 /*Construct from an MPI communicator*/
 void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
@@ -47,14 +48,47 @@ void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
   _ShmSetup=1;
 }
 
-void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,Grid_MPI_Comm & optimal_comm)
+void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
   optimal_comm = WorldComm;
+  SHM = Coordinate(processors.size(),1);
 }
 
 ////////////////////////////////////////////////////////////////////////////////////////////
 // Hugetlbfs mapping intended, use anonymous mmap
 ////////////////////////////////////////////////////////////////////////////////////////////
+#if 1
+void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
+{
+  std::cout << header "SharedMemoryAllocate "<< bytes<< " GPU implementation "<<std::endl;
+  void * ShmCommBuf ; 
+  assert(_ShmSetup==1);
+  assert(_ShmAlloc==0);
+
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Each MPI rank should allocate our own buffer
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+  ShmCommBuf = acceleratorAllocDevice(bytes);
+
+  if (ShmCommBuf == (void *)NULL ) {
+    std::cerr << " SharedMemoryNone.cc acceleratorAllocDevice failed NULL pointer for " << bytes<<" bytes " << std::endl;
+    exit(EXIT_FAILURE);  
+  }
+  if ( WorldRank == 0 ){
+    std::cout << WorldRank << header " SharedMemoryNone.cc acceleratorAllocDevice "<< bytes 
+	      << "bytes at "<< std::hex<< ShmCommBuf <<std::dec<<" for comms buffers " <<std::endl;
+  }
+  SharedMemoryZero(ShmCommBuf,bytes);
+
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Loop over ranks/gpu's on our node
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+  WorldShmCommBufs[0] = ShmCommBuf;
+
+  _ShmAllocBytes=bytes;
+  _ShmAlloc=1;
+}
+#else
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
   void * ShmCommBuf ; 
@@ -83,11 +117,19 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
   _ShmAllocBytes=bytes;
   _ShmAlloc=1;
 };
-
-  ////////////////////////////////////////////////////////
-  // Global shared functionality finished
-  // Now move to per communicator functionality
-  ////////////////////////////////////////////////////////
+#endif
+void GlobalSharedMemory::SharedMemoryZero(void *dest,size_t bytes)
+{
+  acceleratorMemSet(dest,0,bytes);
+}
+void GlobalSharedMemory::SharedMemoryCopy(void *dest,void *src,size_t bytes)
+{
+  acceleratorCopyToDevice(src,dest,bytes);
+}
+////////////////////////////////////////////////////////
+// Global shared functionality finished
+// Now move to per communicator functionality
+////////////////////////////////////////////////////////
 void SharedMemory::SetCommunicator(Grid_MPI_Comm comm)
 {
   assert(GlobalSharedMemory::ShmAlloc()==1);
@@ -125,4 +167,5 @@ void *SharedMemory::ShmBufferTranslate(int rank,void * local_p)
 SharedMemory::~SharedMemory()
 {};
 
-}
+NAMESPACE_END(Grid); 
+

Grid/cshift/Cshift.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,8 +23,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef _GRID_CSHIFT_H_
 #define _GRID_CSHIFT_H_
 
@@ -49,4 +49,14 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #ifdef GRID_COMMS_SHMEM
 #include <Grid/cshift/Cshift_mpi.h> // uses same implementation of communicator
 #endif 
+
+NAMESPACE_BEGIN(Grid);
+
+template<class Expression,typename std::enable_if<is_lattice_expr<Expression>::value,void>::type * = nullptr> 
+auto Cshift(const Expression &expr,int dim,int shift)  -> decltype(closure(expr)) 
+{
+  return Cshift(closure(expr),dim,shift);
+}
+NAMESPACE_END(Grid);
+
 #endif

Grid/cshift/Cshift_common.h

@@ -25,37 +25,39 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#ifndef _GRID_CSHIFT_COMMON_H_
-#define _GRID_CSHIFT_COMMON_H_
+#pragma once
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
+
+extern Vector<std::pair<int,int> > Cshift_table; 
 
 ///////////////////////////////////////////////////////////////////
 // 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, int off=0)
+Gather_plane_simple (const Lattice<vobj> &rhs,cshiftVector<vobj> &buffer,int dimension,int plane,int cbmask, int off=0)
 {
-  int rd = rhs._grid->_rdimensions[dimension];
+  int rd = rhs.Grid()->_rdimensions[dimension];
 
-  if ( !rhs._grid->CheckerBoarded(dimension) ) {
+  if ( !rhs.Grid()->CheckerBoarded(dimension) ) {
     cbmask = 0x3;
   }
   
-  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 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);
+  if(Cshift_table.size()<e1*e2) Cshift_table.resize(e1*e2); // Let it grow to biggest
+
+  int stride=rhs.Grid()->_slice_stride[dimension];
 
-  int stride=rhs._grid->_slice_stride[dimension];
   if ( cbmask == 0x3 ) { 
     for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
 	int o  = n*stride;
 	int bo = n*e2;
-	table[ent++] = std::pair<int,int>(off+bo+b,so+o+b);
+	Cshift_table[ent++] = std::pair<int,int>(off+bo+b,so+o+b);
       }
     }
   } else { 
@@ -63,15 +65,27 @@ Gather_plane_simple (const Lattice<vobj> &rhs,commVector<vobj> &buffer,int dimen
      for(int n=0;n<e1;n++){
        for(int b=0;b<e2;b++){
 	 int o  = n*stride;
-	 int ocb=1<<rhs._grid->CheckerBoardFromOindex(o+b);
+	 int ocb=1<<rhs.Grid()->CheckerBoardFromOindex(o+b);
 	 if ( ocb &cbmask ) {
-	   table[ent++]=std::pair<int,int> (off+bo++,so+o+b);
+	   Cshift_table[ent++]=std::pair<int,int> (off+bo++,so+o+b);
 	 }
        }
      }
   }
-  parallel_for(int i=0;i<ent;i++){
-    buffer[table[i].first]=rhs._odata[table[i].second];
+  {
+    auto buffer_p = & buffer[0];
+    auto table = &Cshift_table[0];
+#ifdef ACCELERATOR_CSHIFT    
+    autoView(rhs_v , rhs, AcceleratorRead);
+    accelerator_for(i,ent,vobj::Nsimd(),{
+	coalescedWrite(buffer_p[table[i].first],coalescedRead(rhs_v[table[i].second]));
+    });
+#else
+    autoView(rhs_v , rhs, CpuRead);
+    thread_for(i,ent,{
+      buffer_p[table[i].first]=rhs_v[table[i].second];
+    });
+#endif
   }
 }
 
@@ -79,80 +93,120 @@ Gather_plane_simple (const Lattice<vobj> &rhs,commVector<vobj> &buffer,int dimen
 // 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)
+Gather_plane_extract(const Lattice<vobj> &rhs,
+		     ExtractPointerArray<typename vobj::scalar_object> pointers,
+		     int dimension,int plane,int cbmask)
 {
-  int rd = rhs._grid->_rdimensions[dimension];
+  int rd = rhs.Grid()->_rdimensions[dimension];
 
-  if ( !rhs._grid->CheckerBoarded(dimension) ) {
+  if ( !rhs.Grid()->CheckerBoarded(dimension) ) {
     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 n1=rhs._grid->_slice_stride[dimension];
+  int e1=rhs.Grid()->_slice_nblock[dimension];
+  int e2=rhs.Grid()->_slice_block[dimension];
+  int n1=rhs.Grid()->_slice_stride[dimension];
 
   if ( cbmask ==0x3){
-    parallel_for_nest2(int n=0;n<e1;n++){
-      for(int b=0;b<e2;b++){
-
+#ifdef ACCELERATOR_CSHIFT
+    autoView(rhs_v , rhs, AcceleratorRead);
+    accelerator_for(nn,e1*e2,1,{
+	int n = nn%e1;
+	int b = nn/e1;
 	int o      =   n*n1;
 	int offset = b+n*e2;
 	
-	vobj temp =rhs._odata[so+o+b];
+	vobj temp =rhs_v[so+o+b];
 	extract<vobj>(temp,pointers,offset);
-
-      }
-    }
+      });
+#else
+    autoView(rhs_v , rhs, CpuRead);
+    thread_for2d(n,e1,b,e2,{
+	int o      =   n*n1;
+	int offset = b+n*e2;
+	
+	vobj temp =rhs_v[so+o+b];
+	extract<vobj>(temp,pointers,offset);
+      });
+#endif
   } else { 
+    Coordinate rdim=rhs.Grid()->_rdimensions;
+    Coordinate cdm =rhs.Grid()->_checker_dim_mask;
+    std::cout << " Dense packed buffer WARNING " <<std::endl; // Does this get called twice once for each cb?
+#ifdef ACCELERATOR_CSHIFT    
+    autoView(rhs_v , rhs, AcceleratorRead);
+    accelerator_for(nn,e1*e2,1,{
+	int n = nn%e1;
+	int b = nn/e1;
 
-    // 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++){
+	Coordinate coor;
 
 	int o=n*n1;
-	int ocb=1<<rhs._grid->CheckerBoardFromOindex(o+b);
+	int oindex = o+b;
+
+       	int cb = RedBlackCheckerBoardFromOindex(oindex, rdim, cdm);
+
+	int ocb=1<<cb;
 	int offset = b+n*e2;
 
 	if ( ocb & cbmask ) {
-	  vobj temp =rhs._odata[so+o+b];
+	  vobj temp =rhs_v[so+o+b];
 	  extract<vobj>(temp,pointers,offset);
 	}
-      }
-    }
+      });
+#else
+    autoView(rhs_v , rhs, CpuRead);
+    thread_for2d(n,e1,b,e2,{
+
+	Coordinate coor;
+
+	int o=n*n1;
+	int oindex = o+b;
+
+       	int cb = RedBlackCheckerBoardFromOindex(oindex, rdim, cdm);
+
+	int ocb=1<<cb;
+	int offset = b+n*e2;
+
+	if ( ocb & cbmask ) {
+	  vobj temp =rhs_v[so+o+b];
+	  extract<vobj>(temp,pointers,offset);
+	}
+      });
+#endif
   }
 }
 
 //////////////////////////////////////////////////////
 // Scatter for when there is no need to SIMD split
 //////////////////////////////////////////////////////
-template<class vobj> void Scatter_plane_simple (Lattice<vobj> &rhs,commVector<vobj> &buffer, int dimension,int plane,int cbmask)
+template<class vobj> void Scatter_plane_simple (Lattice<vobj> &rhs,cshiftVector<vobj> &buffer, int dimension,int plane,int cbmask)
 {
-  int rd = rhs._grid->_rdimensions[dimension];
+  int rd = rhs.Grid()->_rdimensions[dimension];
 
-  if ( !rhs._grid->CheckerBoarded(dimension) ) {
+  if ( !rhs.Grid()->CheckerBoarded(dimension) ) {
     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 stride=rhs._grid->_slice_stride[dimension];
+  int e1=rhs.Grid()->_slice_nblock[dimension];
+  int e2=rhs.Grid()->_slice_block[dimension];
+  int stride=rhs.Grid()->_slice_stride[dimension];
+
+  if(Cshift_table.size()<e1*e2) Cshift_table.resize(e1*e2); // Let it grow to biggest
 
-  static std::vector<std::pair<int,int> > table; table.resize(e1*e2);
   int ent    =0;
 
   if ( cbmask ==0x3 ) {
 
     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];
-	table[ent++] = std::pair<int,int>(so+o+b,bo+b);
+	int o   =n*rhs.Grid()->_slice_stride[dimension];
+	int bo  =n*rhs.Grid()->_slice_block[dimension];
+	Cshift_table[ent++] = std::pair<int,int>(so+o+b,bo+b);
       }
     }
 
@@ -160,145 +214,238 @@ template<class vobj> void Scatter_plane_simple (Lattice<vobj> &rhs,commVector<vo
     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 ocb=1<<rhs._grid->CheckerBoardFromOindex(o+b);// Could easily be a table lookup
+	int o   =n*rhs.Grid()->_slice_stride[dimension];
+	int ocb=1<<rhs.Grid()->CheckerBoardFromOindex(o+b);// Could easily be a table lookup
 	if ( ocb & cbmask ) {
-	  table[ent++]=std::pair<int,int> (so+o+b,bo++);
+	  Cshift_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];
+  
+  {
+    auto buffer_p = & buffer[0];
+    auto table = &Cshift_table[0];
+#ifdef ACCELERATOR_CSHIFT    
+    autoView( rhs_v, rhs, AcceleratorWrite);
+    accelerator_for(i,ent,vobj::Nsimd(),{
+	coalescedWrite(rhs_v[table[i].first],coalescedRead(buffer_p[table[i].second]));
+    });
+#else
+    autoView( rhs_v, rhs, CpuWrite);
+    thread_for(i,ent,{
+      rhs_v[table[i].first]=buffer_p[table[i].second];
+    });
+#endif
   }
 }
 
 //////////////////////////////////////////////////////
 // Scatter for when there *is* need to SIMD split
 //////////////////////////////////////////////////////
-template<class vobj> void Scatter_plane_merge(Lattice<vobj> &rhs,std::vector<typename vobj::scalar_object *> pointers,int dimension,int plane,int cbmask)
+template<class vobj> void Scatter_plane_merge(Lattice<vobj> &rhs,ExtractPointerArray<typename vobj::scalar_object> pointers,int dimension,int plane,int cbmask)
 {
-  int rd = rhs._grid->_rdimensions[dimension];
+  int rd = rhs.Grid()->_rdimensions[dimension];
 
-  if ( !rhs._grid->CheckerBoarded(dimension) ) {
+  if ( !rhs.Grid()->CheckerBoarded(dimension) ) {
     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 e1=rhs.Grid()->_slice_nblock[dimension];
+  int e2=rhs.Grid()->_slice_block[dimension];
 
   if(cbmask ==0x3 ) {
-    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];
-	merge(rhs._odata[so+o+b],pointers,offset);
-      }
-    }
+    int _slice_stride = rhs.Grid()->_slice_stride[dimension];
+    int _slice_block = rhs.Grid()->_slice_block[dimension];
+#ifdef ACCELERATOR_CSHIFT    
+    autoView( rhs_v , rhs, AcceleratorWrite);
+    accelerator_for(nn,e1*e2,1,{
+	int n = nn%e1;
+	int b = nn/e1;
+	int o      = n*_slice_stride;
+	int offset = b+n*_slice_block;
+	merge(rhs_v[so+o+b],pointers,offset);
+      });
+#else
+    autoView( rhs_v , rhs, CpuWrite);
+    thread_for2d(n,e1,b,e2,{
+	int o      = n*_slice_stride;
+	int offset = b+n*_slice_block;
+	merge(rhs_v[so+o+b],pointers,offset);
+    });
+#endif
   } else { 
 
     // 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 << "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;
+    assert(0); // This will fail if hit on GPU
+    autoView( rhs_v, rhs, CpuWrite);
     for(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];
-	int ocb=1<<rhs._grid->CheckerBoardFromOindex(o+b);
+	int o      = n*rhs.Grid()->_slice_stride[dimension];
+	int offset = b+n*rhs.Grid()->_slice_block[dimension];
+	int ocb=1<<rhs.Grid()->CheckerBoardFromOindex(o+b);
 	if ( ocb&cbmask ) {
-	  merge(rhs._odata[so+o+b],pointers,offset);
+	  merge(rhs_v[so+o+b],pointers,offset);
 	}
       }
     }
   }
 }
 
+#if (defined(GRID_CUDA) || defined(GRID_HIP)) && defined(ACCELERATOR_CSHIFT)
+
+template <typename T>
+T iDivUp(T a, T b) // Round a / b to nearest higher integer value
+{ return (a % b != 0) ? (a / b + 1) : (a / b); }
+
+template <typename T>
+__global__ void populate_Cshift_table(T* vector, T lo, T ro, T e1, T e2, T stride)
+{
+    int idx = blockIdx.x*blockDim.x + threadIdx.x;
+    if (idx >= e1*e2) return;
+
+    int n, b, o;
+
+    n = idx / e2;
+    b = idx % e2;
+    o = n*stride + b;
+
+    vector[2*idx + 0] = lo + o;
+    vector[2*idx + 1] = ro + o;
+}
+
+#endif
+
 //////////////////////////////////////////////////////
 // local to node block strided copies
 //////////////////////////////////////////////////////
+
 template<class vobj> void Copy_plane(Lattice<vobj>& lhs,const Lattice<vobj> &rhs, int dimension,int lplane,int rplane,int cbmask)
 {
-  int rd = rhs._grid->_rdimensions[dimension];
+  int rd = rhs.Grid()->_rdimensions[dimension];
 
-  if ( !rhs._grid->CheckerBoarded(dimension) ) {
+  if ( !rhs.Grid()->CheckerBoarded(dimension) ) {
     cbmask=0x3;
   }
 
-  int ro  = rplane*rhs._grid->_ostride[dimension]; // base offset for start of plane 
-  int lo  = lplane*lhs._grid->_ostride[dimension]; // base offset for start of plane 
+  int ro  = rplane*rhs.Grid()->_ostride[dimension]; // base offset for start of plane 
+  int lo  = lplane*lhs.Grid()->_ostride[dimension]; // base offset for start of plane 
+
+  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];
+
+  if(Cshift_table.size()<e1*e2) Cshift_table.resize(e1*e2); // Let it grow to biggest
 
-  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 ){
+#if (defined(GRID_CUDA) || defined(GRID_HIP)) && defined(ACCELERATOR_CSHIFT)
+    ent = e1*e2;
+    dim3 blockSize(acceleratorThreads());
+    dim3 gridSize(iDivUp((unsigned int)ent, blockSize.x));
+    populate_Cshift_table<<<gridSize, blockSize>>>(&Cshift_table[0].first, lo, ro, e1, e2, stride);
+    accelerator_barrier();
+#else
     for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
         int o =n*stride+b;
-	table[ent++] = std::pair<int,int>(lo+o,ro+o);
+	Cshift_table[ent++] = std::pair<int,int>(lo+o,ro+o);
       }
     }
+#endif
   } else { 
     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);
+        int ocb=1<<lhs.Grid()->CheckerBoardFromOindex(o);
         if ( ocb&cbmask ) {
-	  table[ent++] = std::pair<int,int>(lo+o,ro+o);
+	  Cshift_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];
+  {
+    auto table = &Cshift_table[0];
+#ifdef ACCELERATOR_CSHIFT    
+    autoView(rhs_v , rhs, AcceleratorRead);
+    autoView(lhs_v , lhs, AcceleratorWrite);
+    accelerator_for(i,ent,vobj::Nsimd(),{
+      coalescedWrite(lhs_v[table[i].first],coalescedRead(rhs_v[table[i].second]));
+    });
+#else
+    autoView(rhs_v , rhs, CpuRead);
+    autoView(lhs_v , lhs, CpuWrite);
+    thread_for(i,ent,{
+      lhs_v[table[i].first]=rhs_v[table[i].second];
+    });
+#endif
   }
-
 }
 
 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)
 {
- 
-  int rd = rhs._grid->_rdimensions[dimension];
+  int rd = rhs.Grid()->_rdimensions[dimension];
 
-  if ( !rhs._grid->CheckerBoarded(dimension) ) {
+  if ( !rhs.Grid()->CheckerBoarded(dimension) ) {
     cbmask=0x3;
   }
 
-  int ro  = rplane*rhs._grid->_ostride[dimension]; // base offset for start of plane 
-  int lo  = lplane*lhs._grid->_ostride[dimension]; // base offset for start of plane 
+  int ro  = rplane*rhs.Grid()->_ostride[dimension]; // base offset for start of plane 
+  int lo  = lplane*lhs.Grid()->_ostride[dimension]; // base offset for start of plane 
 
-  int e1=rhs._grid->_slice_nblock[dimension];
-  int e2=rhs._grid->_slice_block [dimension];
-  int stride = rhs._grid->_slice_stride[dimension];
+  int e1=rhs.Grid()->_slice_nblock[dimension];
+  int e2=rhs.Grid()->_slice_block [dimension];
+  int stride = rhs.Grid()->_slice_stride[dimension];
+
+  if(Cshift_table.size()<e1*e2) Cshift_table.resize(e1*e2); // Let it grow to biggest
 
-  static std::vector<std::pair<int,int> > table;  table.resize(e1*e2);
   int ent=0;
 
-  double t_tab,t_perm;
   if ( cbmask == 0x3 ) {
+#if (defined(GRID_CUDA) || defined(GRID_HIP)) && defined(ACCELERATOR_CSHIFT)
+    ent = e1*e2;
+    dim3 blockSize(acceleratorThreads());
+    dim3 gridSize(iDivUp((unsigned int)ent, blockSize.x));
+    populate_Cshift_table<<<gridSize, blockSize>>>(&Cshift_table[0].first, lo, ro, e1, e2, stride);
+    accelerator_barrier();
+#else
     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);
+      Cshift_table[ent++] = std::pair<int,int>(lo+o+b,ro+o+b);
     }}
+#endif
   } 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 ) table[ent++] = std::pair<int,int>(lo+o+b,ro+o+b);
+      int ocb=1<<lhs.Grid()->CheckerBoardFromOindex(o+b);
+      if ( ocb&cbmask ) Cshift_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);
+  {
+    auto table = &Cshift_table[0];
+#ifdef ACCELERATOR_CSHIFT    
+    autoView( rhs_v, rhs, AcceleratorRead);
+    autoView( lhs_v, lhs, AcceleratorWrite);
+    accelerator_for(i,ent,1,{
+      permute(lhs_v[table[i].first],rhs_v[table[i].second],permute_type);
+    });
+#else
+    autoView( rhs_v, rhs, CpuRead);
+    autoView( lhs_v, lhs, CpuWrite);
+    thread_for(i,ent,{
+      permute(lhs_v[table[i].first],rhs_v[table[i].second],permute_type);
+    });
+#endif
   }
 }
 
@@ -309,11 +456,9 @@ template<class vobj> void Cshift_local(Lattice<vobj>& ret,const Lattice<vobj> &r
 {
   int sshift[2];
 
-  sshift[0] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Even);
-  sshift[1] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Odd);
+  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 {
@@ -324,7 +469,7 @@ template<class vobj> void Cshift_local(Lattice<vobj>& ret,const Lattice<vobj> &r
 
 template<class vobj> void Cshift_local(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
 {
-  GridBase *grid = rhs._grid;
+  GridBase *grid = rhs.Grid();
   int fd = grid->_fdimensions[dimension];
   int rd = grid->_rdimensions[dimension];
   int ld = grid->_ldimensions[dimension];
@@ -335,18 +480,18 @@ template<class vobj> void Cshift_local(Lattice<vobj> &ret,const Lattice<vobj> &r
   shift = (shift+fd)%fd;
 
   // the permute type
-  ret.checkerboard = grid->CheckerBoardDestination(rhs.checkerboard,shift,dimension);
+  ret.Checkerboard() = grid->CheckerBoardDestination(rhs.Checkerboard(),shift,dimension);
   int permute_dim =grid->PermuteDim(dimension);
   int permute_type=grid->PermuteType(dimension);
   int permute_type_dist;
 
   for(int x=0;x<rd;x++){       
 
-    int o   = 0;
+    //    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 sshift = grid->CheckerBoardShiftForCB(rhs.Checkerboard(),dimension,shift,cb);
     int sx     = (x+sshift)%rd;
     
     // wrap is whether sshift > rd.
@@ -387,5 +532,5 @@ template<class vobj> void Cshift_local(Lattice<vobj> &ret,const Lattice<vobj> &r
   
   }
 }
-}
-#endif
+NAMESPACE_END(Grid);
+

Grid/cshift/Cshift_mpi.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -24,33 +24,33 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef _GRID_CSHIFT_MPI_H_
 #define _GRID_CSHIFT_MPI_H_
 
 
-namespace Grid { 
+NAMESPACE_BEGIN(Grid); 
 
 template<class vobj> Lattice<vobj> Cshift(const Lattice<vobj> &rhs,int dimension,int shift)
 {
   typedef typename vobj::vector_type vector_type;
   typedef typename vobj::scalar_type scalar_type;
 
-  Lattice<vobj> ret(rhs._grid); 
+  Lattice<vobj> ret(rhs.Grid()); 
   
-  int fd = rhs._grid->_fdimensions[dimension];
-  int rd = rhs._grid->_rdimensions[dimension];
+  int fd = rhs.Grid()->_fdimensions[dimension];
+  int rd = rhs.Grid()->_rdimensions[dimension];
 
   // Map to always positive shift modulo global full dimension.
   shift = (shift+fd)%fd;
 
-  ret.checkerboard = rhs._grid->CheckerBoardDestination(rhs.checkerboard,shift,dimension);
+  ret.Checkerboard() = rhs.Grid()->CheckerBoardDestination(rhs.Checkerboard(),shift,dimension);
         
   // the permute type
-  int simd_layout     = rhs._grid->_simd_layout[dimension];
-  int comm_dim        = rhs._grid->_processors[dimension] >1 ;
-  int splice_dim      = rhs._grid->_simd_layout[dimension]>1 && (comm_dim);
+  int simd_layout     = rhs.Grid()->_simd_layout[dimension];
+  int comm_dim        = rhs.Grid()->_processors[dimension] >1 ;
+  int splice_dim      = rhs.Grid()->_simd_layout[dimension]>1 && (comm_dim);
 
 
   if ( !comm_dim ) {
@@ -70,10 +70,10 @@ template<class vobj> void Cshift_comms(Lattice<vobj>& ret,const Lattice<vobj> &r
 {
   int sshift[2];
 
-  sshift[0] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Even);
-  sshift[1] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Odd);
+  sshift[0] = rhs.Grid()->CheckerBoardShiftForCB(rhs.Checkerboard(),dimension,shift,Even);
+  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;
+  //  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);
@@ -88,8 +88,8 @@ template<class vobj> void Cshift_comms_simd(Lattice<vobj>& ret,const Lattice<vob
 {
   int sshift[2];
 
-  sshift[0] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Even);
-  sshift[1] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Odd);
+  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] ) {
@@ -101,31 +101,32 @@ template<class vobj> void Cshift_comms_simd(Lattice<vobj>& ret,const Lattice<vob
     Cshift_comms_simd(ret,rhs,dimension,shift,0x2);// both with block stride loop iteration
   }
 }
-
+#define ACCELERATOR_CSHIFT_NO_COPY
+#ifdef ACCELERATOR_CSHIFT_NO_COPY
 template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
 {
   typedef typename vobj::vector_type vector_type;
   typedef typename vobj::scalar_type scalar_type;
 
-  GridBase *grid=rhs._grid;
-  Lattice<vobj> temp(rhs._grid);
+  GridBase *grid=rhs.Grid();
+  Lattice<vobj> temp(rhs.Grid());
 
-  int fd              = rhs._grid->_fdimensions[dimension];
-  int rd              = rhs._grid->_rdimensions[dimension];
-  int pd              = rhs._grid->_processors[dimension];
-  int simd_layout     = rhs._grid->_simd_layout[dimension];
-  int comm_dim        = rhs._grid->_processors[dimension] >1 ;
+  int fd              = rhs.Grid()->_fdimensions[dimension];
+  int rd              = rhs.Grid()->_rdimensions[dimension];
+  int pd              = rhs.Grid()->_processors[dimension];
+  int simd_layout     = rhs.Grid()->_simd_layout[dimension];
+  int comm_dim        = rhs.Grid()->_processors[dimension] >1 ;
   assert(simd_layout==1);
   assert(comm_dim==1);
   assert(shift>=0);
   assert(shift<fd);
   
-  int buffer_size = rhs._grid->_slice_nblock[dimension]*rhs._grid->_slice_block[dimension];
-  commVector<vobj> send_buf(buffer_size);
-  commVector<vobj> recv_buf(buffer_size);
-
+  int buffer_size = rhs.Grid()->_slice_nblock[dimension]*rhs.Grid()->_slice_block[dimension];
+  static cshiftVector<vobj> send_buf; send_buf.resize(buffer_size);
+  static cshiftVector<vobj> recv_buf; recv_buf.resize(buffer_size);
+    
   int cb= (cbmask==0x2)? Odd : Even;
-  int sshift= rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,cb);
+  int sshift= rhs.Grid()->CheckerBoardShiftForCB(rhs.Checkerboard(),dimension,shift,cb);
 
   for(int x=0;x<rd;x++){       
 
@@ -138,24 +139,26 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
 
     } else {
 
-      int words = send_buf.size();
+      int words = buffer_size;
       if (cbmask != 0x3) words=words>>1;
 
       int bytes = words * sizeof(vobj);
 
       Gather_plane_simple (rhs,send_buf,dimension,sx,cbmask);
 
-      int rank           = grid->_processor;
+      //      int rank           = grid->_processor;
       int recv_from_rank;
       int xmit_to_rank;
       grid->ShiftedRanks(dimension,comm_proc,xmit_to_rank,recv_from_rank);
 
+      grid->Barrier();
 
       grid->SendToRecvFrom((void *)&send_buf[0],
 			   xmit_to_rank,
 			   (void *)&recv_buf[0],
 			   recv_from_rank,
 			   bytes);
+
       grid->Barrier();
 
       Scatter_plane_simple (ret,recv_buf,dimension,x,cbmask);
@@ -165,7 +168,7 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
 
 template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
 {
-  GridBase *grid=rhs._grid;
+  GridBase *grid=rhs.Grid();
   const int Nsimd = grid->Nsimd();
   typedef typename vobj::vector_type vector_type;
   typedef typename vobj::scalar_object scalar_object;
@@ -193,21 +196,28 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
   // Simd direction uses an extract/merge pair
   ///////////////////////////////////////////////
   int buffer_size = grid->_slice_nblock[dimension]*grid->_slice_block[dimension];
-  int words = sizeof(vobj)/sizeof(vector_type);
+  //  int words = sizeof(vobj)/sizeof(vector_type);
 
-  std::vector<commVector<scalar_object> >   send_buf_extract(Nsimd,commVector<scalar_object>(buffer_size) );
-  std::vector<commVector<scalar_object> >   recv_buf_extract(Nsimd,commVector<scalar_object>(buffer_size) );
+  static std::vector<cshiftVector<scalar_object> >  send_buf_extract; send_buf_extract.resize(Nsimd);
+  static std::vector<cshiftVector<scalar_object> >  recv_buf_extract; recv_buf_extract.resize(Nsimd);
+  scalar_object *  recv_buf_extract_mpi;
+  scalar_object *  send_buf_extract_mpi;
+ 
+  for(int s=0;s<Nsimd;s++){
+    send_buf_extract[s].resize(buffer_size);
+    recv_buf_extract[s].resize(buffer_size);
+  }
 
   int bytes = buffer_size*sizeof(scalar_object);
 
-  std::vector<scalar_object *>  pointers(Nsimd); // 
-  std::vector<scalar_object *> rpointers(Nsimd); // received pointers
+  ExtractPointerArray<scalar_object>  pointers(Nsimd); // 
+  ExtractPointerArray<scalar_object> rpointers(Nsimd); // received pointers
 
   ///////////////////////////////////////////
   // Work out what to send where
   ///////////////////////////////////////////
   int cb    = (cbmask==0x2)? Odd : Even;
-  int sshift= grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,cb);
+  int sshift= grid->CheckerBoardShiftForCB(rhs.Checkerboard(),dimension,shift,cb);
 
   // loop over outer coord planes orthog to dim
   for(int x=0;x<rd;x++){       
@@ -242,11 +252,204 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
       if(nbr_proc){
 	grid->ShiftedRanks(dimension,nbr_proc,xmit_to_rank,recv_from_rank); 
 
-	grid->SendToRecvFrom((void *)&send_buf_extract[nbr_lane][0],
+	grid->Barrier();
+
+	send_buf_extract_mpi = &send_buf_extract[nbr_lane][0];
+	recv_buf_extract_mpi = &recv_buf_extract[i][0];
+	grid->SendToRecvFrom((void *)send_buf_extract_mpi,
 			     xmit_to_rank,
-			     (void *)&recv_buf_extract[i][0],
+			     (void *)recv_buf_extract_mpi,
 			     recv_from_rank,
 			     bytes);
+
+	grid->Barrier();
+
+	rpointers[i] = &recv_buf_extract[i][0];
+      } else { 
+	rpointers[i] = &send_buf_extract[nbr_lane][0];
+      }
+
+    }
+    Scatter_plane_merge(ret,rpointers,dimension,x,cbmask);
+  }
+
+}
+#else 
+template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
+{
+  typedef typename vobj::vector_type vector_type;
+  typedef typename vobj::scalar_type scalar_type;
+
+  GridBase *grid=rhs.Grid();
+  Lattice<vobj> temp(rhs.Grid());
+
+  int fd              = rhs.Grid()->_fdimensions[dimension];
+  int rd              = rhs.Grid()->_rdimensions[dimension];
+  int pd              = rhs.Grid()->_processors[dimension];
+  int simd_layout     = rhs.Grid()->_simd_layout[dimension];
+  int comm_dim        = rhs.Grid()->_processors[dimension] >1 ;
+  assert(simd_layout==1);
+  assert(comm_dim==1);
+  assert(shift>=0);
+  assert(shift<fd);
+  
+  int buffer_size = rhs.Grid()->_slice_nblock[dimension]*rhs.Grid()->_slice_block[dimension];
+  static cshiftVector<vobj> send_buf_v; send_buf_v.resize(buffer_size);
+  static cshiftVector<vobj> recv_buf_v; recv_buf_v.resize(buffer_size);
+  vobj *send_buf;
+  vobj *recv_buf;
+  {
+    grid->ShmBufferFreeAll();
+    size_t bytes = buffer_size*sizeof(vobj);
+    send_buf=(vobj *)grid->ShmBufferMalloc(bytes);
+    recv_buf=(vobj *)grid->ShmBufferMalloc(bytes);
+  }
+    
+  int cb= (cbmask==0x2)? Odd : Even;
+  int sshift= rhs.Grid()->CheckerBoardShiftForCB(rhs.Checkerboard(),dimension,shift,cb);
+
+  for(int x=0;x<rd;x++){       
+
+    int sx        =  (x+sshift)%rd;
+    int comm_proc = ((x+sshift)/rd)%pd;
+    
+    if (comm_proc==0) {
+
+      Copy_plane(ret,rhs,dimension,x,sx,cbmask); 
+
+    } else {
+
+      int words = buffer_size;
+      if (cbmask != 0x3) words=words>>1;
+
+      int bytes = words * sizeof(vobj);
+
+      Gather_plane_simple (rhs,send_buf_v,dimension,sx,cbmask);
+
+      //      int rank           = grid->_processor;
+      int recv_from_rank;
+      int xmit_to_rank;
+      grid->ShiftedRanks(dimension,comm_proc,xmit_to_rank,recv_from_rank);
+
+
+      grid->Barrier();
+
+      acceleratorCopyDeviceToDevice((void *)&send_buf_v[0],(void *)&send_buf[0],bytes);
+      grid->SendToRecvFrom((void *)&send_buf[0],
+			   xmit_to_rank,
+			   (void *)&recv_buf[0],
+			   recv_from_rank,
+			   bytes);
+      acceleratorCopyDeviceToDevice((void *)&recv_buf[0],(void *)&recv_buf_v[0],bytes);
+
+      grid->Barrier();
+
+      Scatter_plane_simple (ret,recv_buf_v,dimension,x,cbmask);
+    }
+  }
+}
+
+template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
+{
+  GridBase *grid=rhs.Grid();
+  const int Nsimd = grid->Nsimd();
+  typedef typename vobj::vector_type vector_type;
+  typedef typename vobj::scalar_object scalar_object;
+  typedef typename vobj::scalar_type scalar_type;
+   
+  int fd = grid->_fdimensions[dimension];
+  int rd = grid->_rdimensions[dimension];
+  int ld = grid->_ldimensions[dimension];
+  int pd = grid->_processors[dimension];
+  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);
+  assert(shift<fd);
+
+  int permute_type=grid->PermuteType(dimension);
+
+  ///////////////////////////////////////////////
+  // Simd direction uses an extract/merge pair
+  ///////////////////////////////////////////////
+  int buffer_size = grid->_slice_nblock[dimension]*grid->_slice_block[dimension];
+  //  int words = sizeof(vobj)/sizeof(vector_type);
+
+  static std::vector<cshiftVector<scalar_object> >  send_buf_extract; send_buf_extract.resize(Nsimd);
+  static std::vector<cshiftVector<scalar_object> >  recv_buf_extract; recv_buf_extract.resize(Nsimd);
+  scalar_object *  recv_buf_extract_mpi;
+  scalar_object *  send_buf_extract_mpi;
+  {
+    size_t bytes = sizeof(scalar_object)*buffer_size;
+    grid->ShmBufferFreeAll();
+    send_buf_extract_mpi = (scalar_object *)grid->ShmBufferMalloc(bytes);
+    recv_buf_extract_mpi = (scalar_object *)grid->ShmBufferMalloc(bytes);
+  }
+  for(int s=0;s<Nsimd;s++){
+    send_buf_extract[s].resize(buffer_size);
+    recv_buf_extract[s].resize(buffer_size);
+  }
+
+  int bytes = buffer_size*sizeof(scalar_object);
+
+  ExtractPointerArray<scalar_object>  pointers(Nsimd); // 
+  ExtractPointerArray<scalar_object> rpointers(Nsimd); // received pointers
+
+  ///////////////////////////////////////////
+  // Work out what to send where
+  ///////////////////////////////////////////
+  int cb    = (cbmask==0x2)? Odd : Even;
+  int sshift= grid->CheckerBoardShiftForCB(rhs.Checkerboard(),dimension,shift,cb);
+
+  // loop over outer coord planes orthog to dim
+  for(int x=0;x<rd;x++){       
+
+    // FIXME call local permute copy if none are offnode.
+    for(int i=0;i<Nsimd;i++){       
+      pointers[i] = &send_buf_extract[i][0];
+    }
+    int sx   = (x+sshift)%rd;
+    Gather_plane_extract(rhs,pointers,dimension,sx,cbmask);
+
+    for(int i=0;i<Nsimd;i++){
+      
+      int inner_bit = (Nsimd>>(permute_type+1));
+      int ic= (i&inner_bit)? 1:0;
+
+      int my_coor          = rd*ic + x;
+      int nbr_coor         = my_coor+sshift;
+      int nbr_proc = ((nbr_coor)/ld) % pd;// relative shift in processors
+
+      int nbr_ic   = (nbr_coor%ld)/rd;    // inner coord of peer
+      int nbr_ox   = (nbr_coor%rd);       // outer coord of peer
+      int nbr_lane = (i&(~inner_bit));
+
+      int recv_from_rank;
+      int xmit_to_rank;
+
+      if (nbr_ic) nbr_lane|=inner_bit;
+
+      assert (sx == nbr_ox);
+
+      if(nbr_proc){
+	grid->ShiftedRanks(dimension,nbr_proc,xmit_to_rank,recv_from_rank); 
+
+	grid->Barrier();
+
+	acceleratorCopyDeviceToDevice((void *)&send_buf_extract[nbr_lane][0],(void *)send_buf_extract_mpi,bytes);
+	grid->SendToRecvFrom((void *)send_buf_extract_mpi,
+			     xmit_to_rank,
+			     (void *)recv_buf_extract_mpi,
+			     recv_from_rank,
+			     bytes);
+	acceleratorCopyDeviceToDevice((void *)recv_buf_extract_mpi,(void *)&recv_buf_extract[i][0],bytes);
+
 	grid->Barrier();
 	rpointers[i] = &recv_buf_extract[i][0];
       } else { 
@@ -257,6 +460,8 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
     Scatter_plane_merge(ret,rpointers,dimension,x,cbmask);
   }
 
- }
 }
 #endif
+NAMESPACE_END(Grid); 
+
+#endif

Grid/cshift/Cshift_none.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,17 +23,18 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef _GRID_CSHIFT_NONE_H_
 #define _GRID_CSHIFT_NONE_H_
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 template<class vobj> Lattice<vobj> Cshift(const Lattice<vobj> &rhs,int dimension,int shift)
 {
-  Lattice<vobj> ret(rhs._grid);
-  ret.checkerboard = rhs._grid->CheckerBoardDestination(rhs.checkerboard,shift,dimension);
+  Lattice<vobj> ret(rhs.Grid());
+  ret.Checkerboard() = rhs.Grid()->CheckerBoardDestination(rhs.Checkerboard(),shift,dimension);
   Cshift_local(ret,rhs,dimension,shift);
   return ret;
 }
-}
+NAMESPACE_END(Grid);
+
 #endif

Grid/cshift/Cshift_table.cc

@@ -0,0 +1,4 @@
+#include <Grid/GridCore.h>       
+NAMESPACE_BEGIN(Grid);
+Vector<std::pair<int,int> > Cshift_table; 
+NAMESPACE_END(Grid);

Grid/lattice/Lattice.h

@@ -25,9 +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 */
-#ifndef GRID_LATTICE_H
-#define GRID_LATTICE_H
-
+#pragma once
+#include <Grid/lattice/Lattice_view.h>
 #include <Grid/lattice/Lattice_base.h>
-
-#endif
+#include <Grid/lattice/Lattice_conformable.h>
+#include <Grid/lattice/Lattice_ET.h>
+#include <Grid/lattice/Lattice_arith.h>
+#include <Grid/lattice/Lattice_trace.h>
+#include <Grid/lattice/Lattice_transpose.h>
+#include <Grid/lattice/Lattice_local.h>
+#include <Grid/lattice/Lattice_reduction.h>
+#include <Grid/lattice/Lattice_peekpoke.h>
+#include <Grid/lattice/Lattice_reality.h>
+#include <Grid/lattice/Lattice_real_imag.h>
+#include <Grid/lattice/Lattice_comparison_utils.h>
+#include <Grid/lattice/Lattice_comparison.h>
+#include <Grid/lattice/Lattice_coordinate.h>
+//#include <Grid/lattice/Lattice_where.h>
+#include <Grid/lattice/Lattice_rng.h>
+#include <Grid/lattice/Lattice_unary.h>
+#include <Grid/lattice/Lattice_transfer.h>
+#include <Grid/lattice/Lattice_basis.h>
+#include <Grid/lattice/Lattice_crc.h>

Grid/lattice/Lattice_ET.h

@@ -9,6 +9,7 @@ Copyright (C) 2015
 Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 Author: neo <cossu@post.kek.jp>
+Author: Christoph Lehner <christoph@lhnr.de
 
 This program is free software; you can redistribute it and/or modify
 it under the terms of the GNU General Public License as published by
@@ -27,7 +28,7 @@ with this program; if not, write to the Free Software Foundation, Inc.,
 See the full license in the file "LICENSE" in the top level distribution
 directory
 *************************************************************************************/
-/*  END LEGAL */
+			   /*  END LEGAL */
 #ifndef GRID_LATTICE_ET_H
 #define GRID_LATTICE_ET_H
 
@@ -36,26 +37,40 @@ directory
 #include <typeinfo>
 #include <vector>
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
 ////////////////////////////////////////////////////
 // Predicated where support
 ////////////////////////////////////////////////////
+#ifdef GRID_SIMT
+// drop to scalar in SIMT; cleaner in fact
 template <class iobj, class vobj, class robj>
-inline vobj predicatedWhere(const iobj &predicate, const vobj &iftrue,
-                            const robj &iffalse) {
+accelerator_inline vobj predicatedWhere(const iobj &predicate, 
+					const vobj &iftrue, 
+					const robj &iffalse) 
+{
+  Integer mask = TensorRemove(predicate);
+  typename std::remove_const<vobj>::type ret= iffalse;
+  if (mask) ret=iftrue;
+  return ret;
+}
+#else
+template <class iobj, class vobj, class robj>
+accelerator_inline vobj predicatedWhere(const iobj &predicate, 
+					const vobj &iftrue, 
+					const robj &iffalse) 
+{
   typename std::remove_const<vobj>::type ret;
 
   typedef typename vobj::scalar_object scalar_object;
-  typedef typename vobj::scalar_type scalar_type;
+  //  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   const int Nsimd = vobj::vector_type::Nsimd();
-  const int words = sizeof(vobj) / sizeof(vector_type);
 
-  std::vector<Integer> mask(Nsimd);
-  std::vector<scalar_object> truevals(Nsimd);
-  std::vector<scalar_object> falsevals(Nsimd);
+  ExtractBuffer<Integer> mask(Nsimd);
+  ExtractBuffer<scalar_object> truevals(Nsimd);
+  ExtractBuffer<scalar_object> falsevals(Nsimd);
 
   extract(iftrue, truevals);
   extract(iffalse, falsevals);
@@ -68,178 +83,273 @@ inline vobj predicatedWhere(const iobj &predicate, const vobj &iftrue,
   merge(ret, falsevals);
   return ret;
 }
+#endif
 
-////////////////////////////////////////////
-// recursive evaluation of expressions; Could
-// switch to generic approach with variadics, a la
-// Antonin's Lat Sim but the repack to variadic with popped
-// from tuple is hideous; C++14 introduces std::make_index_sequence for this
-////////////////////////////////////////////
-
-// leaf eval of lattice ; should enable if protect using traits
-
-template <typename T>
-using is_lattice = std::is_base_of<LatticeBase, T>;
-
-template <typename T>
-using is_lattice_expr = std::is_base_of<LatticeExpressionBase, T>;
-
-template <typename T> using is_lattice_expr = std::is_base_of<LatticeExpressionBase,T >;
-
+/////////////////////////////////////////////////////
 //Specialization of getVectorType for lattices
+/////////////////////////////////////////////////////
 template<typename T>
 struct getVectorType<Lattice<T> >{
   typedef typename Lattice<T>::vector_object type;
 };
- 
-template<class sobj>
-inline sobj eval(const unsigned int ss, const sobj &arg)
+
+////////////////////////////////////////////
+//--  recursive evaluation of expressions; --
+// handle leaves of syntax tree
+///////////////////////////////////////////////////
+template<class sobj,
+  typename std::enable_if<!is_lattice<sobj>::value&&!is_lattice_expr<sobj>::value,sobj>::type * = nullptr> 
+accelerator_inline 
+sobj eval(const uint64_t ss, const sobj &arg)
 {
   return arg;
 }
-template <class lobj>
-inline const lobj &eval(const unsigned int ss, const Lattice<lobj> &arg) {
-  return arg._odata[ss];
+template <class lobj> accelerator_inline 
+auto eval(const uint64_t ss, const LatticeView<lobj> &arg) -> decltype(arg(ss))
+{
+  return arg(ss);
 }
 
-// handle nodes in syntax tree
-template <typename Op, typename T1>
-auto inline eval(
-    const unsigned int ss,
-    const LatticeUnaryExpression<Op, T1> &expr)  // eval one operand
-    -> decltype(expr.first.func(eval(ss, std::get<0>(expr.second)))) {
-  return expr.first.func(eval(ss, std::get<0>(expr.second)));
+////////////////////////////////////////////
+//--  recursive evaluation of expressions; --
+// whole vector return, used only for expression return type inference
+///////////////////////////////////////////////////
+template<class sobj> accelerator_inline 
+sobj vecEval(const uint64_t ss, const sobj &arg)
+{
+  return arg;
+}
+template <class lobj> accelerator_inline 
+const lobj & vecEval(const uint64_t ss, const LatticeView<lobj> &arg) 
+{
+  return arg[ss];
 }
 
-template <typename Op, typename T1, typename T2>
-auto inline eval(
-    const unsigned int ss,
-    const LatticeBinaryExpression<Op, T1, T2> &expr)  // eval two operands
-    -> decltype(expr.first.func(eval(ss, std::get<0>(expr.second)),
-                                eval(ss, std::get<1>(expr.second)))) {
-  return expr.first.func(eval(ss, std::get<0>(expr.second)),
-                         eval(ss, std::get<1>(expr.second)));
+///////////////////////////////////////////////////
+// handle nodes in syntax tree- eval one operand
+// vecEval needed (but never called as all expressions offloaded) to infer the return type
+// in SIMT contexts of closure.
+///////////////////////////////////////////////////
+template <typename Op, typename T1> accelerator_inline 
+auto vecEval(const uint64_t ss, const LatticeUnaryExpression<Op, T1> &expr)  
+  -> decltype(expr.op.func( vecEval(ss, expr.arg1)))
+{
+  return expr.op.func( vecEval(ss, expr.arg1) );
+}
+// vecEval two operands
+template <typename Op, typename T1, typename T2> accelerator_inline
+auto vecEval(const uint64_t ss, const LatticeBinaryExpression<Op, T1, T2> &expr)  
+  -> decltype(expr.op.func( vecEval(ss,expr.arg1),vecEval(ss,expr.arg2)))
+{
+  return expr.op.func( vecEval(ss,expr.arg1), vecEval(ss,expr.arg2) );
+}
+// vecEval three operands
+template <typename Op, typename T1, typename T2, typename T3> accelerator_inline
+auto vecEval(const uint64_t ss, const LatticeTrinaryExpression<Op, T1, T2, T3> &expr)  
+  -> decltype(expr.op.func(vecEval(ss, expr.arg1), vecEval(ss, expr.arg2), vecEval(ss, expr.arg3)))
+{
+  return expr.op.func(vecEval(ss, expr.arg1), vecEval(ss, expr.arg2), vecEval(ss, expr.arg3));
 }
 
-template <typename Op, typename T1, typename T2, typename T3>
-auto inline eval(const unsigned int ss,
-                 const LatticeTrinaryExpression<Op, T1, T2, T3>
-                     &expr)  // eval three operands
-    -> decltype(expr.first.func(eval(ss, std::get<0>(expr.second)),
-                                eval(ss, std::get<1>(expr.second)),
-                                eval(ss, std::get<2>(expr.second)))) {
-  return expr.first.func(eval(ss, std::get<0>(expr.second)),
-                         eval(ss, std::get<1>(expr.second)),
-                         eval(ss, std::get<2>(expr.second)));
+///////////////////////////////////////////////////
+// handle nodes in syntax tree- eval one operand coalesced
+///////////////////////////////////////////////////
+template <typename Op, typename T1> accelerator_inline 
+auto eval(const uint64_t ss, const LatticeUnaryExpression<Op, T1> &expr)  
+  -> decltype(expr.op.func( eval(ss, expr.arg1)))
+{
+  return expr.op.func( eval(ss, expr.arg1) );
+}
+// eval two operands
+template <typename Op, typename T1, typename T2> accelerator_inline
+auto eval(const uint64_t ss, const LatticeBinaryExpression<Op, T1, T2> &expr)  
+  -> decltype(expr.op.func( eval(ss,expr.arg1),eval(ss,expr.arg2)))
+{
+  return expr.op.func( eval(ss,expr.arg1), eval(ss,expr.arg2) );
+}
+// eval three operands
+template <typename Op, typename T1, typename T2, typename T3> accelerator_inline
+auto eval(const uint64_t ss, const LatticeTrinaryExpression<Op, T1, T2, T3> &expr)  
+  -> decltype(expr.op.func(eval(ss, expr.arg1), 
+			   eval(ss, expr.arg2), 
+			   eval(ss, expr.arg3)))
+{
+#ifdef GRID_SIMT
+  // Handles Nsimd (vInteger) != Nsimd(ComplexD)
+  typedef decltype(vecEval(ss, expr.arg2)) rvobj;
+  typedef typename std::remove_reference<rvobj>::type vobj;
+
+  const int Nsimd = vobj::vector_type::Nsimd();
+
+  auto vpred = vecEval(ss,expr.arg1);
+
+  ExtractBuffer<Integer> mask(Nsimd);
+  extract<vInteger, Integer>(TensorRemove(vpred), mask);
+
+  int s = acceleratorSIMTlane(Nsimd);
+  return expr.op.func(mask[s],
+		      eval(ss, expr.arg2), 
+		      eval(ss, expr.arg3));
+#else
+  return expr.op.func(eval(ss, expr.arg1),
+		      eval(ss, expr.arg2), 
+		      eval(ss, expr.arg3));
+#endif
 }
 
 //////////////////////////////////////////////////////////////////////////
 // Obtain the grid from an expression, ensuring conformable. This must follow a
-// tree recursion
+// tree recursion; must retain grid pointer in the LatticeView class which sucks
+// Use a different method, and make it void *.
+// Perhaps a conformable method.
 //////////////////////////////////////////////////////////////////////////
-template <class T1,
-          typename std::enable_if<is_lattice<T1>::value, T1>::type * = nullptr>
-inline void GridFromExpression(GridBase *&grid, const T1 &lat)  // Lattice leaf
+template <class T1,typename std::enable_if<is_lattice<T1>::value, T1>::type * = nullptr>
+accelerator_inline void GridFromExpression(GridBase *&grid, const T1 &lat)  // Lattice leaf
 {
-  if (grid) {
-    conformable(grid, lat._grid);
-  }
-  grid = lat._grid;
+  lat.Conformable(grid);
 }
-template <class T1,
-          typename std::enable_if<!is_lattice<T1>::value, T1>::type * = nullptr>
-inline void GridFromExpression(GridBase *&grid,
-                               const T1 &notlat)  // non-lattice leaf
+
+template <class T1,typename std::enable_if<!is_lattice<T1>::value, T1>::type * = nullptr>
+accelerator_inline 
+void GridFromExpression(GridBase *&grid,const T1 &notlat)  // non-lattice leaf
 {}
+
 template <typename Op, typename T1>
-inline void GridFromExpression(GridBase *&grid,
-                               const LatticeUnaryExpression<Op, T1> &expr) {
-  GridFromExpression(grid, std::get<0>(expr.second));  // recurse
+accelerator_inline 
+void GridFromExpression(GridBase *&grid,const LatticeUnaryExpression<Op, T1> &expr) 
+{
+  GridFromExpression(grid, expr.arg1);  // recurse
 }
 
 template <typename Op, typename T1, typename T2>
-inline void GridFromExpression(
-    GridBase *&grid, const LatticeBinaryExpression<Op, T1, T2> &expr) {
-  GridFromExpression(grid, std::get<0>(expr.second));  // recurse
-  GridFromExpression(grid, std::get<1>(expr.second));
+accelerator_inline 
+void GridFromExpression(GridBase *&grid, const LatticeBinaryExpression<Op, T1, T2> &expr) 
+{
+  GridFromExpression(grid, expr.arg1);  // recurse
+  GridFromExpression(grid, expr.arg2);
 }
 template <typename Op, typename T1, typename T2, typename T3>
-inline void GridFromExpression(
-    GridBase *&grid, const LatticeTrinaryExpression<Op, T1, T2, T3> &expr) {
-  GridFromExpression(grid, std::get<0>(expr.second));  // recurse
-  GridFromExpression(grid, std::get<1>(expr.second));
-  GridFromExpression(grid, std::get<2>(expr.second));
+accelerator_inline 
+void GridFromExpression(GridBase *&grid, const LatticeTrinaryExpression<Op, T1, T2, T3> &expr) 
+{
+  GridFromExpression(grid, expr.arg1);  // recurse
+  GridFromExpression(grid, expr.arg2);  // recurse
+  GridFromExpression(grid, expr.arg3);  // recurse
 }
 
 //////////////////////////////////////////////////////////////////////////
 // Obtain the CB from an expression, ensuring conformable. This must follow a
 // tree recursion
 //////////////////////////////////////////////////////////////////////////
-template <class T1,
-          typename std::enable_if<is_lattice<T1>::value, T1>::type * = nullptr>
+template <class T1,typename std::enable_if<is_lattice<T1>::value, T1>::type * = nullptr>
 inline void CBFromExpression(int &cb, const T1 &lat)  // Lattice leaf
 {
   if ((cb == Odd) || (cb == Even)) {
-    assert(cb == lat.checkerboard);
+    assert(cb == lat.Checkerboard());
   }
-  cb = lat.checkerboard;
-  //  std::cout<<GridLogMessage<<"Lattice leaf cb "<<cb<<std::endl;
+  cb = lat.Checkerboard();
 }
-template <class T1,
-          typename std::enable_if<!is_lattice<T1>::value, T1>::type * = nullptr>
-inline void CBFromExpression(int &cb, const T1 &notlat)  // non-lattice leaf
+template <class T1,typename std::enable_if<!is_lattice<T1>::value, T1>::type * = nullptr>
+inline void CBFromExpression(int &cb, const T1 &notlat) {} // non-lattice leaf
+template <typename Op, typename T1> inline 
+void CBFromExpression(int &cb,const LatticeUnaryExpression<Op, T1> &expr) 
 {
-  //  std::cout<<GridLogMessage<<"Non lattice leaf cb"<<cb<<std::endl;
+  CBFromExpression(cb, expr.arg1);  // recurse AST
 }
-template <typename Op, typename T1>
-inline void CBFromExpression(int &cb,
-                             const LatticeUnaryExpression<Op, T1> &expr) {
-  CBFromExpression(cb, std::get<0>(expr.second));  // recurse
-  //  std::cout<<GridLogMessage<<"Unary node cb "<<cb<<std::endl;
-}
-
-template <typename Op, typename T1, typename T2>
-inline void CBFromExpression(int &cb,
-                             const LatticeBinaryExpression<Op, T1, T2> &expr) {
-  CBFromExpression(cb, std::get<0>(expr.second));  // recurse
-  CBFromExpression(cb, std::get<1>(expr.second));
-  //  std::cout<<GridLogMessage<<"Binary node cb "<<cb<<std::endl;
+template <typename Op, typename T1, typename T2> inline 
+void CBFromExpression(int &cb,const LatticeBinaryExpression<Op, T1, T2> &expr) 
+{
+  CBFromExpression(cb, expr.arg1);  // recurse AST
+  CBFromExpression(cb, expr.arg2);  // recurse AST
 }
 template <typename Op, typename T1, typename T2, typename T3>
-inline void CBFromExpression(
-    int &cb, const LatticeTrinaryExpression<Op, T1, T2, T3> &expr) {
-  CBFromExpression(cb, std::get<0>(expr.second));  // recurse
-  CBFromExpression(cb, std::get<1>(expr.second));
-  CBFromExpression(cb, std::get<2>(expr.second));
-  //  std::cout<<GridLogMessage<<"Trinary node cb "<<cb<<std::endl;
+inline void CBFromExpression(int &cb, const LatticeTrinaryExpression<Op, T1, T2, T3> &expr) 
+{
+  CBFromExpression(cb, expr.arg1);  // recurse AST
+  CBFromExpression(cb, expr.arg2);  // recurse AST
+  CBFromExpression(cb, expr.arg3);  // recurse AST
+}
+
+
+//////////////////////////////////////////////////////////////////////////
+// ViewOpen
+//////////////////////////////////////////////////////////////////////////
+template <class T1,typename std::enable_if<is_lattice<T1>::value, T1>::type * = nullptr>
+inline void ExpressionViewOpen(T1 &lat)  // Lattice leaf
+{
+  lat.ViewOpen(AcceleratorRead);
+}
+template <class T1,typename std::enable_if<!is_lattice<T1>::value, T1>::type * = nullptr>
+  inline void ExpressionViewOpen(T1 &notlat) {}
+
+template <typename Op, typename T1> inline 
+void ExpressionViewOpen(LatticeUnaryExpression<Op, T1> &expr) 
+{  
+  ExpressionViewOpen(expr.arg1); // recurse AST
+}
+
+template <typename Op, typename T1, typename T2> inline 
+void ExpressionViewOpen(LatticeBinaryExpression<Op, T1, T2> &expr) 
+{
+  ExpressionViewOpen(expr.arg1);  // recurse AST
+  ExpressionViewOpen(expr.arg2);  // rrecurse AST
+}
+template <typename Op, typename T1, typename T2, typename T3>
+inline void ExpressionViewOpen(LatticeTrinaryExpression<Op, T1, T2, T3> &expr) 
+{
+  ExpressionViewOpen(expr.arg1);  // recurse AST
+  ExpressionViewOpen(expr.arg2);  // recurse AST
+  ExpressionViewOpen(expr.arg3);  // recurse AST
+}
+
+//////////////////////////////////////////////////////////////////////////
+// ViewClose
+//////////////////////////////////////////////////////////////////////////
+template <class T1,typename std::enable_if<is_lattice<T1>::value, T1>::type * = nullptr>
+inline void ExpressionViewClose( T1 &lat)  // Lattice leaf
+{
+  lat.ViewClose();
+}
+template <class T1,typename std::enable_if<!is_lattice<T1>::value, T1>::type * = nullptr>
+inline void ExpressionViewClose(T1 &notlat) {}
+
+template <typename Op, typename T1> inline 
+void ExpressionViewClose(LatticeUnaryExpression<Op, T1> &expr) 
+{  
+  ExpressionViewClose(expr.arg1); // recurse AST
+}
+template <typename Op, typename T1, typename T2> inline 
+void ExpressionViewClose(LatticeBinaryExpression<Op, T1, T2> &expr) 
+{
+  ExpressionViewClose(expr.arg1);  // recurse AST
+  ExpressionViewClose(expr.arg2);  // recurse AST
+}
+template <typename Op, typename T1, typename T2, typename T3>
+inline void ExpressionViewClose(LatticeTrinaryExpression<Op, T1, T2, T3> &expr) 
+{
+  ExpressionViewClose(expr.arg1);  // recurse AST
+  ExpressionViewClose(expr.arg2);  // recurse AST
+  ExpressionViewClose(expr.arg3);  // recurse AST
 }
 
 ////////////////////////////////////////////
 // Unary operators and funcs
 ////////////////////////////////////////////
-#define GridUnopClass(name, ret)                                          \
-  template <class arg>                                                    \
-  struct name {                                                           \
-    static auto inline func(const arg a) -> decltype(ret) { return ret; } \
+#define GridUnopClass(name, ret)					\
+  struct name {								\
+    template<class _arg> static auto accelerator_inline func(const _arg a) -> decltype(ret) { return ret; } \
   };
 
 GridUnopClass(UnarySub, -a);
 GridUnopClass(UnaryNot, Not(a));
-GridUnopClass(UnaryAdj, adj(a));
-GridUnopClass(UnaryConj, conjugate(a));
 GridUnopClass(UnaryTrace, trace(a));
 GridUnopClass(UnaryTranspose, transpose(a));
 GridUnopClass(UnaryTa, Ta(a));
 GridUnopClass(UnaryProjectOnGroup, ProjectOnGroup(a));
-GridUnopClass(UnaryReal, real(a));
-GridUnopClass(UnaryImag, imag(a));
-GridUnopClass(UnaryToReal, toReal(a));
-GridUnopClass(UnaryToComplex, toComplex(a));
 GridUnopClass(UnaryTimesI, timesI(a));
 GridUnopClass(UnaryTimesMinusI, timesMinusI(a));
 GridUnopClass(UnaryAbs, abs(a));
 GridUnopClass(UnarySqrt, sqrt(a));
-GridUnopClass(UnaryRsqrt, rsqrt(a));
 GridUnopClass(UnarySin, sin(a));
 GridUnopClass(UnaryCos, cos(a));
 GridUnopClass(UnaryAsin, asin(a));
@@ -250,19 +360,21 @@ GridUnopClass(UnaryExp, exp(a));
 ////////////////////////////////////////////
 // Binary operators
 ////////////////////////////////////////////
-#define GridBinOpClass(name, combination)                      \
-  template <class left, class right>                           \
-  struct name {                                                \
-    static auto inline func(const left &lhs, const right &rhs) \
-        -> decltype(combination) const {                       \
-      return combination;                                      \
-    }                                                          \
-  }
+#define GridBinOpClass(name, combination)			\
+  struct name {							\
+    template <class _left, class _right>			\
+    static auto accelerator_inline				\
+    func(const _left &lhs, const _right &rhs)			\
+      -> decltype(combination) const				\
+    {								\
+      return combination;					\
+    }								\
+  };
+
 GridBinOpClass(BinaryAdd, lhs + rhs);
 GridBinOpClass(BinarySub, lhs - rhs);
 GridBinOpClass(BinaryMul, lhs *rhs);
 GridBinOpClass(BinaryDiv, lhs /rhs);
-
 GridBinOpClass(BinaryAnd, lhs &rhs);
 GridBinOpClass(BinaryOr, lhs | rhs);
 GridBinOpClass(BinaryAndAnd, lhs &&rhs);
@@ -271,111 +383,85 @@ GridBinOpClass(BinaryOrOr, lhs || rhs);
 ////////////////////////////////////////////////////
 // Trinary conditional op
 ////////////////////////////////////////////////////
-#define GridTrinOpClass(name, combination)                                     \
-  template <class predicate, class left, class right>                          \
-  struct name {                                                                \
-    static auto inline func(const predicate &pred, const left &lhs,            \
-                            const right &rhs) -> decltype(combination) const { \
-      return combination;                                                      \
-    }                                                                          \
-  }
+#define GridTrinOpClass(name, combination)				\
+  struct name {								\
+    template <class _predicate,class _left, class _right>		\
+    static auto accelerator_inline					\
+    func(const _predicate &pred, const _left &lhs, const _right &rhs)	\
+      -> decltype(combination) const					\
+    {									\
+      return combination;						\
+    }									\
+  };
 
-GridTrinOpClass(
-    TrinaryWhere,
-    (predicatedWhere<predicate, typename std::remove_reference<left>::type,
-                     typename std::remove_reference<right>::type>(pred, lhs,
-                                                                  rhs)));
+GridTrinOpClass(TrinaryWhere,
+		(predicatedWhere<
+		 typename std::remove_reference<_predicate>::type, 
+		 typename std::remove_reference<_left>::type,
+		 typename std::remove_reference<_right>::type>(pred, lhs,rhs)));
 
 ////////////////////////////////////////////
 // Operator syntactical glue
 ////////////////////////////////////////////
+#define GRID_UNOP(name)   name
+#define GRID_BINOP(name)  name
+#define GRID_TRINOP(name) name
 
-#define GRID_UNOP(name) name<decltype(eval(0, arg))>
-#define GRID_BINOP(name) name<decltype(eval(0, lhs)), decltype(eval(0, rhs))>
-#define GRID_TRINOP(name) \
-  name<decltype(eval(0, pred)), decltype(eval(0, lhs)), decltype(eval(0, rhs))>
-
-#define GRID_DEF_UNOP(op, name)                                             \
-  template <typename T1,                                                    \
-            typename std::enable_if<is_lattice<T1>::value ||                \
-                                        is_lattice_expr<T1>::value,         \
-                                    T1>::type * = nullptr>                  \
-  inline auto op(const T1 &arg)                                             \
-      ->decltype(LatticeUnaryExpression<GRID_UNOP(name), const T1 &>(       \
-          std::make_pair(GRID_UNOP(name)(), std::forward_as_tuple(arg)))) { \
-    return LatticeUnaryExpression<GRID_UNOP(name), const T1 &>(             \
-        std::make_pair(GRID_UNOP(name)(), std::forward_as_tuple(arg)));     \
+#define GRID_DEF_UNOP(op, name)						\
+  template <typename T1, typename std::enable_if<is_lattice<T1>::value||is_lattice_expr<T1>::value,T1>::type * = nullptr> \
+  inline auto op(const T1 &arg) ->decltype(LatticeUnaryExpression<GRID_UNOP(name),T1>(GRID_UNOP(name)(), arg)) \
+  {									\
+    return     LatticeUnaryExpression<GRID_UNOP(name),T1>(GRID_UNOP(name)(), arg); \
   }
 
-#define GRID_BINOP_LEFT(op, name)                                             \
-  template <typename T1, typename T2,                                         \
-            typename std::enable_if<is_lattice<T1>::value ||                  \
-                                        is_lattice_expr<T1>::value,           \
-                                    T1>::type * = nullptr>                    \
-  inline auto op(const T1 &lhs, const T2 &rhs)                                \
-      ->decltype(                                                             \
-          LatticeBinaryExpression<GRID_BINOP(name), const T1 &, const T2 &>(  \
-              std::make_pair(GRID_BINOP(name)(),                              \
-                             std::forward_as_tuple(lhs, rhs)))) {             \
-    return LatticeBinaryExpression<GRID_BINOP(name), const T1 &, const T2 &>( \
-        std::make_pair(GRID_BINOP(name)(), std::forward_as_tuple(lhs, rhs))); \
+#define GRID_BINOP_LEFT(op, name)					\
+  template <typename T1, typename T2,					\
+            typename std::enable_if<is_lattice<T1>::value||is_lattice_expr<T1>::value,T1>::type * = nullptr> \
+  inline auto op(const T1 &lhs, const T2 &rhs)				\
+    ->decltype(LatticeBinaryExpression<GRID_BINOP(name),T1,T2>(GRID_BINOP(name)(),lhs,rhs)) \
+  {									\
+    return     LatticeBinaryExpression<GRID_BINOP(name),T1,T2>(GRID_BINOP(name)(),lhs,rhs);\
   }
 
-#define GRID_BINOP_RIGHT(op, name)                                            \
-  template <typename T1, typename T2,                                         \
-            typename std::enable_if<!is_lattice<T1>::value &&                 \
-                                        !is_lattice_expr<T1>::value,          \
-                                    T1>::type * = nullptr,                    \
-            typename std::enable_if<is_lattice<T2>::value ||                  \
-                                        is_lattice_expr<T2>::value,           \
-                                    T2>::type * = nullptr>                    \
-  inline auto op(const T1 &lhs, const T2 &rhs)                                \
-      ->decltype(                                                             \
-          LatticeBinaryExpression<GRID_BINOP(name), const T1 &, const T2 &>(  \
-              std::make_pair(GRID_BINOP(name)(),                              \
-                             std::forward_as_tuple(lhs, rhs)))) {             \
-    return LatticeBinaryExpression<GRID_BINOP(name), const T1 &, const T2 &>( \
-        std::make_pair(GRID_BINOP(name)(), std::forward_as_tuple(lhs, rhs))); \
+#define GRID_BINOP_RIGHT(op, name)					\
+  template <typename T1, typename T2,					\
+            typename std::enable_if<!is_lattice<T1>::value&&!is_lattice_expr<T1>::value,T1>::type * = nullptr, \
+            typename std::enable_if< is_lattice<T2>::value|| is_lattice_expr<T2>::value,T2>::type * = nullptr> \
+  inline auto op(const T1 &lhs, const T2 &rhs)				\
+    ->decltype(LatticeBinaryExpression<GRID_BINOP(name),T1,T2>(GRID_BINOP(name)(),lhs, rhs)) \
+  {									\
+    return     LatticeBinaryExpression<GRID_BINOP(name),T1,T2>(GRID_BINOP(name)(),lhs, rhs); \
   }
 
-#define GRID_DEF_BINOP(op, name) \
-  GRID_BINOP_LEFT(op, name);     \
+#define GRID_DEF_BINOP(op, name)		\
+  GRID_BINOP_LEFT(op, name);			\
   GRID_BINOP_RIGHT(op, name);
 
-#define GRID_DEF_TRINOP(op, name)                                              \
-  template <typename T1, typename T2, typename T3>                             \
-  inline auto op(const T1 &pred, const T2 &lhs, const T3 &rhs)                 \
-      ->decltype(                                                              \
-          LatticeTrinaryExpression<GRID_TRINOP(name), const T1 &, const T2 &,  \
-                                   const T3 &>(std::make_pair(                 \
-              GRID_TRINOP(name)(), std::forward_as_tuple(pred, lhs, rhs)))) {  \
-    return LatticeTrinaryExpression<GRID_TRINOP(name), const T1 &, const T2 &, \
-                                    const T3 &>(std::make_pair(                \
-        GRID_TRINOP(name)(), std::forward_as_tuple(pred, lhs, rhs)));          \
+#define GRID_DEF_TRINOP(op, name)					\
+  template <typename T1, typename T2, typename T3>			\
+  inline auto op(const T1 &pred, const T2 &lhs, const T3 &rhs)		\
+    ->decltype(LatticeTrinaryExpression<GRID_TRINOP(name),T1,T2,T3>(GRID_TRINOP(name)(),pred, lhs, rhs)) \
+  {									\
+    return LatticeTrinaryExpression<GRID_TRINOP(name),T1,T2,T3>(GRID_TRINOP(name)(),pred, lhs, rhs); \
   }
+
 ////////////////////////
 // Operator definitions
 ////////////////////////
-
 GRID_DEF_UNOP(operator-, UnarySub);
 GRID_DEF_UNOP(Not, UnaryNot);
 GRID_DEF_UNOP(operator!, UnaryNot);
-GRID_DEF_UNOP(adj, UnaryAdj);
-GRID_DEF_UNOP(conjugate, UnaryConj);
+//GRID_DEF_UNOP(adj, UnaryAdj);
+//GRID_DEF_UNOP(conjugate, UnaryConj);
 GRID_DEF_UNOP(trace, UnaryTrace);
 GRID_DEF_UNOP(transpose, UnaryTranspose);
 GRID_DEF_UNOP(Ta, UnaryTa);
 GRID_DEF_UNOP(ProjectOnGroup, UnaryProjectOnGroup);
-GRID_DEF_UNOP(real, UnaryReal);
-GRID_DEF_UNOP(imag, UnaryImag);
-GRID_DEF_UNOP(toReal, UnaryToReal);
-GRID_DEF_UNOP(toComplex, UnaryToComplex);
 GRID_DEF_UNOP(timesI, UnaryTimesI);
 GRID_DEF_UNOP(timesMinusI, UnaryTimesMinusI);
 GRID_DEF_UNOP(abs, UnaryAbs);  // abs overloaded in cmath C++98; DON'T do the
                                // abs-fabs-dabs-labs thing
 GRID_DEF_UNOP(sqrt, UnarySqrt);
-GRID_DEF_UNOP(rsqrt, UnaryRsqrt);
 GRID_DEF_UNOP(sin, UnarySin);
 GRID_DEF_UNOP(cos, UnaryCos);
 GRID_DEF_UNOP(asin, UnaryAsin);
@@ -400,31 +486,36 @@ GRID_DEF_TRINOP(where, TrinaryWhere);
 /////////////////////////////////////////////////////////////
 template <class Op, class T1>
 auto closure(const LatticeUnaryExpression<Op, T1> &expr)
-    -> Lattice<decltype(expr.first.func(eval(0, std::get<0>(expr.second))))> {
-  Lattice<decltype(expr.first.func(eval(0, std::get<0>(expr.second))))> ret(
-      expr);
+  -> Lattice<typename std::remove_const<decltype(expr.op.func(vecEval(0, expr.arg1)))>::type > 
+{
+  Lattice<typename std::remove_const<decltype(expr.op.func(vecEval(0, expr.arg1)))>::type > ret(expr);
   return ret;
 }
 template <class Op, class T1, class T2>
 auto closure(const LatticeBinaryExpression<Op, T1, T2> &expr)
-    -> Lattice<decltype(expr.first.func(eval(0, std::get<0>(expr.second)),
-                                        eval(0, std::get<1>(expr.second))))> {
-  Lattice<decltype(expr.first.func(eval(0, std::get<0>(expr.second)),
-                                   eval(0, std::get<1>(expr.second))))>
-      ret(expr);
+  -> Lattice<typename std::remove_const<decltype(expr.op.func(vecEval(0, expr.arg1),vecEval(0, expr.arg2)))>::type >
+{
+  Lattice<typename std::remove_const<decltype(expr.op.func(vecEval(0, expr.arg1),vecEval(0, expr.arg2)))>::type > ret(expr);
   return ret;
 }
 template <class Op, class T1, class T2, class T3>
 auto closure(const LatticeTrinaryExpression<Op, T1, T2, T3> &expr)
-    -> Lattice<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))))> {
-  Lattice<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))))>
-      ret(expr);
+  -> Lattice<typename std::remove_const<decltype(expr.op.func(vecEval(0, expr.arg1),
+				   vecEval(0, expr.arg2),
+				   vecEval(0, expr.arg3)))>::type >
+{
+  Lattice<typename std::remove_const<decltype(expr.op.func(vecEval(0, expr.arg1),
+				vecEval(0, expr.arg2),
+			        vecEval(0, expr.arg3)))>::type >  ret(expr);
   return ret;
 }
+#define EXPRESSION_CLOSURE(function)					\
+  template<class Expression,typename std::enable_if<is_lattice_expr<Expression>::value,void>::type * = nullptr> \
+    auto function(Expression &expr) -> decltype(function(closure(expr))) \
+  {									\
+    return function(closure(expr));					\
+  }
+
 
 #undef GRID_UNOP
 #undef GRID_BINOP
@@ -433,34 +524,7 @@ auto closure(const LatticeTrinaryExpression<Op, T1, T2, T3> &expr)
 #undef GRID_DEF_UNOP
 #undef GRID_DEF_BINOP
 #undef GRID_DEF_TRINOP
-}
 
-#if 0
-using namespace Grid;
-        
- int main(int argc,char **argv){
-   
-   Lattice<double> v1(16);
-   Lattice<double> v2(16);
-   Lattice<double> v3(16);
-
-   BinaryAdd<double,double> tmp;
-   LatticeBinaryExpression<BinaryAdd<double,double>,Lattice<double> &,Lattice<double> &> 
-     expr(std::make_pair(tmp,
-    std::forward_as_tuple(v1,v2)));
-   tmp.func(eval(0,v1),eval(0,v2));
-
-   auto var = v1+v2;
-   std::cout<<GridLogMessage<<typeid(var).name()<<std::endl;
-
-   v3=v1+v2;
-   v3=v1+v2+v1*v2;
- };
-
-void testit(Lattice<double> &v1,Lattice<double> &v2,Lattice<double> &v3)
-{
-   v3=v1+v2+v1*v2;
-}
-#endif
+NAMESPACE_END(Grid);
 
 #endif

Grid/lattice/Lattice_arith.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -7,6 +7,7 @@
     Copyright (C) 2015
 
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Christoph Lehner <christoph@lhnr.de>
 
     This program is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
@@ -23,233 +24,251 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_LATTICE_ARITH_H
 #define GRID_LATTICE_ARITH_H
 
-namespace Grid {
-
-
-  //////////////////////////////////////////////////////////////////////////////////////////////////////
-  //  avoid copy back routines for mult, mac, sub, add
-  //////////////////////////////////////////////////////////////////////////////////////////////////////
-  template<class obj1,class obj2,class obj3> strong_inline
-    void mult(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
-    ret.checkerboard = lhs.checkerboard;
-    conformable(ret,rhs);
-    conformable(lhs,rhs);
-    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      obj1 tmp;
-      mult(&tmp,&lhs._odata[ss],&rhs._odata[ss]);
-      vstream(ret._odata[ss],tmp);
-#else
-      mult(&ret._odata[ss],&lhs._odata[ss],&rhs._odata[ss]);
-#endif
-    }
-  }
-  
-  template<class obj1,class obj2,class obj3> strong_inline
-    void mac(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
-    ret.checkerboard = lhs.checkerboard;
-    conformable(ret,rhs);
-    conformable(lhs,rhs);
-    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      obj1 tmp;
-      mac(&tmp,&lhs._odata[ss],&rhs._odata[ss]);
-      vstream(ret._odata[ss],tmp);
-#else
-      mac(&ret._odata[ss],&lhs._odata[ss],&rhs._odata[ss]);
-#endif
-    }
-  }
-  
-  template<class obj1,class obj2,class obj3> strong_inline
-    void sub(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
-    ret.checkerboard = lhs.checkerboard;
-    conformable(ret,rhs);
-    conformable(lhs,rhs);
-    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      obj1 tmp;
-      sub(&tmp,&lhs._odata[ss],&rhs._odata[ss]);
-      vstream(ret._odata[ss],tmp);
-#else
-      sub(&ret._odata[ss],&lhs._odata[ss],&rhs._odata[ss]);
-#endif
-    }
-  }
-  template<class obj1,class obj2,class obj3> strong_inline
-    void add(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
-    ret.checkerboard = lhs.checkerboard;
-    conformable(ret,rhs);
-    conformable(lhs,rhs);
-    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      obj1 tmp;
-      add(&tmp,&lhs._odata[ss],&rhs._odata[ss]);
-      vstream(ret._odata[ss],tmp);
-#else
-      add(&ret._odata[ss],&lhs._odata[ss],&rhs._odata[ss]);
-#endif
-    }
-  }
-  
-  //////////////////////////////////////////////////////////////////////////////////////////////////////
-  //  avoid copy back routines for mult, mac, sub, add
-  //////////////////////////////////////////////////////////////////////////////////////////////////////
-  template<class obj1,class obj2,class obj3> strong_inline
-    void mult(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
-    ret.checkerboard = lhs.checkerboard;
-    conformable(lhs,ret);
-    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
-      obj1 tmp;
-      mult(&tmp,&lhs._odata[ss],&rhs);
-      vstream(ret._odata[ss],tmp);
-    }
-  }
-  
-  template<class obj1,class obj2,class obj3> strong_inline
-    void mac(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
-    ret.checkerboard = lhs.checkerboard;
-    conformable(ret,lhs);
-    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
-      obj1 tmp;
-      mac(&tmp,&lhs._odata[ss],&rhs);
-      vstream(ret._odata[ss],tmp);
-    }
-  }
-  
-  template<class obj1,class obj2,class obj3> strong_inline
-    void sub(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
-    ret.checkerboard = lhs.checkerboard;
-    conformable(ret,lhs);
-    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      obj1 tmp;
-      sub(&tmp,&lhs._odata[ss],&rhs);
-      vstream(ret._odata[ss],tmp);
-#else 
-      sub(&ret._odata[ss],&lhs._odata[ss],&rhs);
-#endif
-    }
-  }
-  template<class obj1,class obj2,class obj3> strong_inline
-    void add(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
-    ret.checkerboard = lhs.checkerboard;
-    conformable(lhs,ret);
-    parallel_for(int ss=0;ss<lhs._grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      obj1 tmp;
-      add(&tmp,&lhs._odata[ss],&rhs);
-      vstream(ret._odata[ss],tmp);
-#else 
-      add(&ret._odata[ss],&lhs._odata[ss],&rhs);
-#endif
-    }
-  }
-
-  //////////////////////////////////////////////////////////////////////////////////////////////////////
-  //  avoid copy back routines for mult, mac, sub, add
-  //////////////////////////////////////////////////////////////////////////////////////////////////////
-    template<class obj1,class obj2,class obj3> strong_inline
-    void mult(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
-    ret.checkerboard = rhs.checkerboard;
-    conformable(ret,rhs);
-    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      obj1 tmp;
-      mult(&tmp,&lhs,&rhs._odata[ss]);
-      vstream(ret._odata[ss],tmp);
-#else 
-      mult(&ret._odata[ss],&lhs,&rhs._odata[ss]);
-#endif
-    }
-  }
-  
-  template<class obj1,class obj2,class obj3> strong_inline
-    void mac(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
-    ret.checkerboard = rhs.checkerboard;
-    conformable(ret,rhs);
-    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      obj1 tmp;
-      mac(&tmp,&lhs,&rhs._odata[ss]);
-      vstream(ret._odata[ss],tmp);
-#else 
-      mac(&ret._odata[ss],&lhs,&rhs._odata[ss]);
-#endif
-    }
-  }
-  
-  template<class obj1,class obj2,class obj3> strong_inline
-    void sub(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
-    ret.checkerboard = rhs.checkerboard;
-    conformable(ret,rhs);
-    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      obj1 tmp;
-      sub(&tmp,&lhs,&rhs._odata[ss]);
-      vstream(ret._odata[ss],tmp);
-#else 
-      sub(&ret._odata[ss],&lhs,&rhs._odata[ss]);
-#endif
-    }
-  }
-  template<class obj1,class obj2,class obj3> strong_inline
-    void add(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
-    ret.checkerboard = rhs.checkerboard;
-    conformable(ret,rhs);
-    parallel_for(int ss=0;ss<rhs._grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      obj1 tmp;
-      add(&tmp,&lhs,&rhs._odata[ss]);
-      vstream(ret._odata[ss],tmp);
-#else 
-      add(&ret._odata[ss],&lhs,&rhs._odata[ss]);
-#endif
-    }
-  }
-  
-  template<class sobj,class vobj> strong_inline
-  void axpy(Lattice<vobj> &ret,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &y){
-    ret.checkerboard = x.checkerboard;
-    conformable(ret,x);
-    conformable(x,y);
-    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);
-#else
-      ret._odata[ss]=a*x._odata[ss]+y._odata[ss];
-#endif
-    }
-  }
-  template<class sobj,class vobj> strong_inline
-  void axpby(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);
-    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);
-#else
-      ret._odata[ss]=a*x._odata[ss]+b*y._odata[ss];
-#endif
-    }
-  }
-
-  template<class sobj,class vobj> strong_inline
-  RealD axpy_norm(Lattice<vobj> &ret,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &y){
-    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){
-    return axpby_norm_fast(ret,a,b,x,y);
-  }
+NAMESPACE_BEGIN(Grid);
 
+//////////////////////////////////////////////////////////////////////////////////////////////////////
+//  avoid copy back routines for mult, mac, sub, add
+//////////////////////////////////////////////////////////////////////////////////////////////////////
+template<class obj1,class obj2,class obj3> inline
+void mult(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("mult");
+  ret.Checkerboard() = lhs.Checkerboard();
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( lhs_v , lhs, AcceleratorRead);
+  autoView( rhs_v , rhs, AcceleratorRead);
+  conformable(ret,rhs);
+  conformable(lhs,rhs);
+  accelerator_for(ss,lhs_v.size(),obj1::Nsimd(),{
+    decltype(coalescedRead(obj1())) tmp;
+    auto lhs_t = lhs_v(ss);
+    auto rhs_t = rhs_v(ss);
+    mult(&tmp,&lhs_t,&rhs_t);
+    coalescedWrite(ret_v[ss],tmp);
+  });
 }
+  
+template<class obj1,class obj2,class obj3> inline
+void mac(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("mac");
+  ret.Checkerboard() = lhs.Checkerboard();
+  conformable(ret,rhs);
+  conformable(lhs,rhs);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( lhs_v , lhs, AcceleratorRead);
+  autoView( rhs_v , rhs, AcceleratorRead);
+  accelerator_for(ss,lhs_v.size(),obj1::Nsimd(),{
+    auto lhs_t=lhs_v(ss);
+    auto rhs_t=rhs_v(ss);
+    auto tmp  =ret_v(ss);
+    mac(&tmp,&lhs_t,&rhs_t);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+  
+template<class obj1,class obj2,class obj3> inline
+void sub(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("sub");
+  ret.Checkerboard() = lhs.Checkerboard();
+  conformable(ret,rhs);
+  conformable(lhs,rhs);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( lhs_v , lhs, AcceleratorRead);
+  autoView( rhs_v , rhs, AcceleratorRead);
+  accelerator_for(ss,lhs_v.size(),obj1::Nsimd(),{
+    decltype(coalescedRead(obj1())) tmp;
+    auto lhs_t=lhs_v(ss);
+    auto rhs_t=rhs_v(ss);
+    sub(&tmp,&lhs_t,&rhs_t);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+template<class obj1,class obj2,class obj3> inline
+void add(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("add");
+  ret.Checkerboard() = lhs.Checkerboard();
+  conformable(ret,rhs);
+  conformable(lhs,rhs);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( lhs_v , lhs, AcceleratorRead);
+  autoView( rhs_v , rhs, AcceleratorRead);
+  accelerator_for(ss,lhs_v.size(),obj1::Nsimd(),{
+    decltype(coalescedRead(obj1())) tmp;
+    auto lhs_t=lhs_v(ss);
+    auto rhs_t=rhs_v(ss);
+    add(&tmp,&lhs_t,&rhs_t);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+  
+//////////////////////////////////////////////////////////////////////////////////////////////////////
+//  avoid copy back routines for mult, mac, sub, add
+//////////////////////////////////////////////////////////////////////////////////////////////////////
+template<class obj1,class obj2,class obj3> inline
+void mult(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
+  GRID_TRACE("mult");
+  ret.Checkerboard() = lhs.Checkerboard();
+  conformable(lhs,ret);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( lhs_v , lhs, AcceleratorRead);
+  accelerator_for(ss,lhs_v.size(),obj1::Nsimd(),{
+    decltype(coalescedRead(obj1())) tmp;
+    mult(&tmp,&lhs_v(ss),&rhs);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+  
+template<class obj1,class obj2,class obj3> inline
+void mac(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
+  GRID_TRACE("mac");
+  ret.Checkerboard() = lhs.Checkerboard();
+  conformable(ret,lhs);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( lhs_v , lhs, AcceleratorRead);
+  accelerator_for(ss,lhs_v.size(),obj1::Nsimd(),{
+    auto tmp  =ret_v(ss);
+    auto lhs_t=lhs_v(ss);
+    mac(&tmp,&lhs_t,&rhs);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+  
+template<class obj1,class obj2,class obj3> inline
+void sub(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
+  GRID_TRACE("sub");
+  ret.Checkerboard() = lhs.Checkerboard();
+  conformable(ret,lhs);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( lhs_v , lhs, AcceleratorRead);
+  accelerator_for(ss,lhs_v.size(),obj1::Nsimd(),{
+    decltype(coalescedRead(obj1())) tmp;
+    auto lhs_t=lhs_v(ss);
+    sub(&tmp,&lhs_t,&rhs);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+template<class obj1,class obj2,class obj3> inline
+void add(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
+  GRID_TRACE("add");
+  ret.Checkerboard() = lhs.Checkerboard();
+  conformable(lhs,ret);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( lhs_v , lhs, AcceleratorRead);
+  accelerator_for(ss,lhs_v.size(),obj1::Nsimd(),{
+    decltype(coalescedRead(obj1())) tmp;
+    auto lhs_t=lhs_v(ss);
+    add(&tmp,&lhs_t,&rhs);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+
+//////////////////////////////////////////////////////////////////////////////////////////////////////
+//  avoid copy back routines for mult, mac, sub, add
+//////////////////////////////////////////////////////////////////////////////////////////////////////
+template<class obj1,class obj2,class obj3> inline
+void mult(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("mult");
+  ret.Checkerboard() = rhs.Checkerboard();
+  conformable(ret,rhs);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( rhs_v , lhs, AcceleratorRead);
+  accelerator_for(ss,rhs_v.size(),obj1::Nsimd(),{
+    decltype(coalescedRead(obj1())) tmp;
+    auto rhs_t=rhs_v(ss);
+    mult(&tmp,&lhs,&rhs_t);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+  
+template<class obj1,class obj2,class obj3> inline
+void mac(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("mac");
+  ret.Checkerboard() = rhs.Checkerboard();
+  conformable(ret,rhs);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( rhs_v , lhs, AcceleratorRead);
+  accelerator_for(ss,rhs_v.size(),obj1::Nsimd(),{
+    auto tmp  =ret_v(ss);
+    auto rhs_t=rhs_v(ss);
+    mac(&tmp,&lhs,&rhs_t);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+  
+template<class obj1,class obj2,class obj3> inline
+void sub(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("sub");
+  ret.Checkerboard() = rhs.Checkerboard();
+  conformable(ret,rhs);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( rhs_v , lhs, AcceleratorRead);
+  accelerator_for(ss,rhs_v.size(),obj1::Nsimd(),{
+    decltype(coalescedRead(obj1())) tmp;
+    auto rhs_t=rhs_v(ss);
+    sub(&tmp,&lhs,&rhs_t);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+template<class obj1,class obj2,class obj3> inline
+void add(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("add");
+  ret.Checkerboard() = rhs.Checkerboard();
+  conformable(ret,rhs);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( rhs_v , lhs, AcceleratorRead);
+  accelerator_for(ss,rhs_v.size(),obj1::Nsimd(),{
+    decltype(coalescedRead(obj1())) tmp;
+    auto rhs_t=rhs_v(ss);
+    add(&tmp,&lhs,&rhs_t);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+  
+template<class sobj,class vobj> inline
+void axpy(Lattice<vobj> &ret,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &y){
+  GRID_TRACE("axpy");
+  ret.Checkerboard() = x.Checkerboard();
+  conformable(ret,x);
+  conformable(x,y);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( x_v , x, AcceleratorRead);
+  autoView( y_v , y, AcceleratorRead);
+  accelerator_for(ss,x_v.size(),vobj::Nsimd(),{
+    auto tmp = a*coalescedRead(x_v[ss])+coalescedRead(y_v[ss]);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+template<class sobj,class vobj> inline
+void axpby(Lattice<vobj> &ret,sobj a,sobj b,const Lattice<vobj> &x,const Lattice<vobj> &y){
+  GRID_TRACE("axpby");
+  ret.Checkerboard() = x.Checkerboard();
+  conformable(ret,x);
+  conformable(x,y);
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( x_v , x, AcceleratorRead);
+  autoView( y_v , y, AcceleratorRead);
+  accelerator_for(ss,x_v.size(),vobj::Nsimd(),{
+    auto tmp = a*x_v(ss)+b*y_v(ss);
+    coalescedWrite(ret_v[ss],tmp);
+  });
+}
+
+template<class sobj,class vobj> inline
+RealD axpy_norm(Lattice<vobj> &ret,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &y)
+{
+  GRID_TRACE("axpy_norm");
+    return axpy_norm_fast(ret,a,x,y);
+}
+template<class sobj,class vobj> inline
+RealD axpby_norm(Lattice<vobj> &ret,sobj a,sobj b,const Lattice<vobj> &x,const Lattice<vobj> &y)
+{
+  GRID_TRACE("axpby_norm");
+    return axpby_norm_fast(ret,a,b,x,y);
+}
+
+NAMESPACE_END(Grid);
 #endif

Grid/lattice/Lattice_base.h

@@ -9,6 +9,7 @@ Copyright (C) 2015
 Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 Author: paboyle <paboyle@ph.ed.ac.uk>
+Author: Christoph Lehner <christoph@lhnr.de>
 
 This program is free software; you can redistribute it and/or modify
 it under the terms of the GNU General Public License as published by
@@ -27,349 +28,355 @@ with this program; if not, write to the Free Software Foundation, Inc.,
 See the full license in the file "LICENSE" in the top level distribution
 directory
 *************************************************************************************/
-/*  END LEGAL */
-#ifndef GRID_LATTICE_BASE_H
-#define GRID_LATTICE_BASE_H
+			   /*  END LEGAL */
+
+#pragma once 
 
 #define STREAMING_STORES
 
-namespace Grid {
-
-// TODO: 
-//       mac,real,imag
-
-// Functionality:
-//     -=,+=,*=,()
-//     add,+,sub,-,mult,mac,*
-//     adj,conjugate
-//     real,imag
-//     transpose,transposeIndex  
-//     trace,traceIndex
-//     peekIndex
-//     innerProduct,outerProduct,
-//     localNorm2
-//     localInnerProduct
+NAMESPACE_BEGIN(Grid);
 
 extern int GridCshiftPermuteMap[4][16];
 
-////////////////////////////////////////////////
-// Basic expressions used in Expression Template
-////////////////////////////////////////////////
-
-class LatticeBase
-{
-public:
-    virtual ~LatticeBase(void) = default;
-    GridBase *_grid;
-};
-    
-class LatticeExpressionBase {};
-
-template <typename Op, typename T1>                           
-class LatticeUnaryExpression  : public std::pair<Op,std::tuple<T1> > , public LatticeExpressionBase {
- public:
- LatticeUnaryExpression(const std::pair<Op,std::tuple<T1> > &arg): std::pair<Op,std::tuple<T1> >(arg) {};
-};
-
-template <typename Op, typename T1, typename T2>              
-class LatticeBinaryExpression : public std::pair<Op,std::tuple<T1,T2> > , public LatticeExpressionBase {
- public:
- LatticeBinaryExpression(const std::pair<Op,std::tuple<T1,T2> > &arg): std::pair<Op,std::tuple<T1,T2> >(arg) {};
-};
-
-template <typename Op, typename T1, typename T2, typename T3> 
-class LatticeTrinaryExpression :public std::pair<Op,std::tuple<T1,T2,T3> >, public LatticeExpressionBase {
- public:
- LatticeTrinaryExpression(const std::pair<Op,std::tuple<T1,T2,T3> > &arg): std::pair<Op,std::tuple<T1,T2,T3> >(arg) {};
-};
-
-void inline conformable(GridBase *lhs,GridBase *rhs)
-{
-  assert(lhs == rhs);
-}
-
+/////////////////////////////////////////////////////////////////////////////////////////
+// The real lattice class, with normal copy and assignment semantics.
+// This contains extra (host resident) grid pointer data that may be accessed by host code
+/////////////////////////////////////////////////////////////////////////////////////////
 template<class vobj>
-class Lattice : public LatticeBase
+class Lattice : public LatticeAccelerator<vobj>
 {
 public:
-    int checkerboard;
-    Vector<vobj> _odata;
-    
-    // to pthread need a computable loop where loop induction is not required
-    int begin(void) { return 0;};
-    int end(void)   { return _odata.size(); }
-    vobj & operator[](int i) { return _odata[i]; };
-    const vobj & operator[](int i) const { return _odata[i]; };
+  GridBase *Grid(void) const { return this->_grid; }
+  ///////////////////////////////////////////////////
+  // Member types
+  ///////////////////////////////////////////////////
+  typedef typename vobj::scalar_type scalar_type;
+  typedef typename vobj::vector_type vector_type;
+  typedef typename vobj::scalar_object scalar_object;
+  typedef vobj vector_object;
 
+private:
+  void dealloc(void)
+  {
+    if( this->_odata_size ) {
+      alignedAllocator<vobj> alloc;
+      alloc.deallocate(this->_odata,this->_odata_size);
+      this->_odata=nullptr;
+      this->_odata_size=0;
+    }
+  }
+  void resize(uint64_t size)
+  {
+    if ( this->_odata_size != size ) {
+      alignedAllocator<vobj> alloc;
+
+      dealloc();
+      
+      this->_odata_size = size;
+      if ( size )
+	this->_odata      = alloc.allocate(this->_odata_size);
+      else 
+	this->_odata      = nullptr;
+    }
+  }
 public:
-    typedef typename vobj::scalar_type scalar_type;
-    typedef typename vobj::vector_type vector_type;
-    typedef vobj vector_object;
-   
+
+  /////////////////////////////////////////////////////////////////////////////////
+  // Can use to make accelerator dirty without copy from host ; useful for temporaries "dont care" prev contents
+  /////////////////////////////////////////////////////////////////////////////////
+  void SetViewMode(ViewMode mode) {
+    LatticeView<vobj> accessor(*( (LatticeAccelerator<vobj> *) this),mode);
+    accessor.ViewClose();
+  }
+
+  // Helper function to print the state of this object in the AccCache
+  void PrintCacheState(void)
+  {
+    MemoryManager::PrintState(this->_odata);
+  }
+
+  /////////////////////////////////////////////////////////////////////////////////
+  // Return a view object that may be dereferenced in site loops.
+  // The view is trivially copy constructible and may be copied to an accelerator device
+  // in device lambdas
+  /////////////////////////////////////////////////////////////////////////////////
+
+  LatticeView<vobj> View (ViewMode mode) const 
+  {
+    LatticeView<vobj> accessor(*( (LatticeAccelerator<vobj> *) this),mode);
+    return accessor;
+  }
+
+  ~Lattice() { 
+    if ( this->_odata_size ) {
+      dealloc();
+    }
+   }
   ////////////////////////////////////////////////////////////////////////////////
   // Expression Template closure support
   ////////////////////////////////////////////////////////////////////////////////
-  template <typename Op, typename T1>                         strong_inline Lattice<vobj> & operator=(const LatticeUnaryExpression<Op,T1> &expr)
+  template <typename Op, typename T1> inline Lattice<vobj> & operator=(const LatticeUnaryExpression<Op,T1> &expr)
   {
+    GRID_TRACE("ExpressionTemplateEval");
     GridBase *egrid(nullptr);
     GridFromExpression(egrid,expr);
     assert(egrid!=nullptr);
-    conformable(_grid,egrid);
+    conformable(this->_grid,egrid);
 
     int cb=-1;
     CBFromExpression(cb,expr);
     assert( (cb==Odd) || (cb==Even));
-    checkerboard=cb;
-
-    parallel_for(int ss=0;ss<_grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      vobj tmp = eval(ss,expr);
-      vstream(_odata[ss] ,tmp);
-#else
-      _odata[ss]=eval(ss,expr);
-#endif
-    }
+    this->checkerboard=cb;
+    
+    auto exprCopy = expr;
+    ExpressionViewOpen(exprCopy);
+    auto me  = View(AcceleratorWriteDiscard);
+    accelerator_for(ss,me.size(),vobj::Nsimd(),{
+      auto tmp = eval(ss,exprCopy);
+      coalescedWrite(me[ss],tmp);
+    });
+    me.ViewClose();
+    ExpressionViewClose(exprCopy);
     return *this;
   }
-  template <typename Op, typename T1,typename T2> strong_inline Lattice<vobj> & operator=(const LatticeBinaryExpression<Op,T1,T2> &expr)
+  template <typename Op, typename T1,typename T2> inline Lattice<vobj> & operator=(const LatticeBinaryExpression<Op,T1,T2> &expr)
   {
+    GRID_TRACE("ExpressionTemplateEval");
     GridBase *egrid(nullptr);
     GridFromExpression(egrid,expr);
     assert(egrid!=nullptr);
-    conformable(_grid,egrid);
+    conformable(this->_grid,egrid);
 
     int cb=-1;
     CBFromExpression(cb,expr);
     assert( (cb==Odd) || (cb==Even));
-    checkerboard=cb;
+    this->checkerboard=cb;
 
-    parallel_for(int ss=0;ss<_grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      vobj tmp = eval(ss,expr);
-      vstream(_odata[ss] ,tmp);
-#else
-      _odata[ss]=eval(ss,expr);
-#endif
-    }
+    auto exprCopy = expr;
+    ExpressionViewOpen(exprCopy);
+    auto me  = View(AcceleratorWriteDiscard);
+    accelerator_for(ss,me.size(),vobj::Nsimd(),{
+      auto tmp = eval(ss,exprCopy);
+      coalescedWrite(me[ss],tmp);
+    });
+    me.ViewClose();
+    ExpressionViewClose(exprCopy);
     return *this;
   }
-  template <typename Op, typename T1,typename T2,typename T3> strong_inline Lattice<vobj> & operator=(const LatticeTrinaryExpression<Op,T1,T2,T3> &expr)
+  template <typename Op, typename T1,typename T2,typename T3> inline Lattice<vobj> & operator=(const LatticeTrinaryExpression<Op,T1,T2,T3> &expr)
   {
+    GRID_TRACE("ExpressionTemplateEval");
     GridBase *egrid(nullptr);
     GridFromExpression(egrid,expr);
     assert(egrid!=nullptr);
-    conformable(_grid,egrid);
+    conformable(this->_grid,egrid);
 
     int cb=-1;
     CBFromExpression(cb,expr);
     assert( (cb==Odd) || (cb==Even));
-    checkerboard=cb;
-
-    parallel_for(int ss=0;ss<_grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      //vobj tmp = eval(ss,expr);
-      vstream(_odata[ss] ,eval(ss,expr));
-#else
-      _odata[ss] = eval(ss,expr);
-#endif
-    }
+    this->checkerboard=cb;
+    auto exprCopy = expr;
+    ExpressionViewOpen(exprCopy);
+    auto me  = View(AcceleratorWriteDiscard);
+    accelerator_for(ss,me.size(),vobj::Nsimd(),{
+      auto tmp = eval(ss,exprCopy);
+      coalescedWrite(me[ss],tmp);
+    });
+    me.ViewClose();
+    ExpressionViewClose(exprCopy);
     return *this;
   }
   //GridFromExpression is tricky to do
   template<class Op,class T1>
-    Lattice(const LatticeUnaryExpression<Op,T1> & expr) {
-    _grid = nullptr;
-    GridFromExpression(_grid,expr);
-    assert(_grid!=nullptr);
+  Lattice(const LatticeUnaryExpression<Op,T1> & expr) {
+    this->_grid = nullptr;
+    GridFromExpression(this->_grid,expr);
+    assert(this->_grid!=nullptr);
 
     int cb=-1;
     CBFromExpression(cb,expr);
     assert( (cb==Odd) || (cb==Even));
-    checkerboard=cb;
+    this->checkerboard=cb;
 
-    _odata.resize(_grid->oSites());
-    parallel_for(int ss=0;ss<_grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      vobj tmp = eval(ss,expr);
-      vstream(_odata[ss] ,tmp);
-#else
-      _odata[ss]=eval(ss,expr);
-#endif
-    }
-  };
+    resize(this->_grid->oSites());
+
+    *this = expr;
+  }
   template<class Op,class T1, class T2>
   Lattice(const LatticeBinaryExpression<Op,T1,T2> & expr) {
-    _grid = nullptr;
-    GridFromExpression(_grid,expr);
-    assert(_grid!=nullptr);
+    this->_grid = nullptr;
+    GridFromExpression(this->_grid,expr);
+    assert(this->_grid!=nullptr);
 
     int cb=-1;
     CBFromExpression(cb,expr);
     assert( (cb==Odd) || (cb==Even));
-    checkerboard=cb;
+    this->checkerboard=cb;
 
-    _odata.resize(_grid->oSites());
-    parallel_for(int ss=0;ss<_grid->oSites();ss++){
-#ifdef STREAMING_STORES
-      vobj tmp = eval(ss,expr);
-      vstream(_odata[ss] ,tmp);
-#else
-      _odata[ss]=eval(ss,expr);
-#endif
-    }
-  };
+    resize(this->_grid->oSites());
+
+    *this = expr;
+  }
   template<class Op,class T1, class T2, class T3>
   Lattice(const LatticeTrinaryExpression<Op,T1,T2,T3> & expr) {
-    _grid = nullptr;
-    GridFromExpression(_grid,expr);
-    assert(_grid!=nullptr);
+    this->_grid = nullptr;
+    GridFromExpression(this->_grid,expr);
+    assert(this->_grid!=nullptr);
 
     int cb=-1;
     CBFromExpression(cb,expr);
     assert( (cb==Odd) || (cb==Even));
-    checkerboard=cb;
+    this->checkerboard=cb;
 
-    _odata.resize(_grid->oSites());
-    parallel_for(int ss=0;ss<_grid->oSites();ss++){
-      vstream(_odata[ss] ,eval(ss,expr));
-    }
-  };
+    resize(this->_grid->oSites());
+
+    *this = expr;
+  }
+
+  template<class sobj> inline Lattice<vobj> & operator = (const sobj & r){
+    auto me  = View(CpuWrite);
+    thread_for(ss,me.size(),{
+	me[ss]= r;
+    });
+    me.ViewClose();
+    return *this;
+  }
 
   //////////////////////////////////////////////////////////////////
-  // 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;
+  // Follow rule of five, with Constructor requires "grid" passed
+  // to user defined constructor
+  ///////////////////////////////////////////
+  // user defined constructor
+  ///////////////////////////////////////////
+  Lattice(GridBase *grid,ViewMode mode=AcceleratorWriteDiscard) { 
+    this->_grid = grid;
+    resize(this->_grid->oSites());
+    assert((((uint64_t)&this->_odata[0])&0xF) ==0);
+    this->checkerboard=0;
+    SetViewMode(mode);
   }
   
-  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(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;
-  }
-
-  inline Lattice<vobj> & operator = (const Lattice<vobj> & r){
-    _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];
-    }  	
-    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;
-  }
-
-  virtual ~Lattice(void) = default;
+  //  virtual ~Lattice(void) = default;
     
   void reset(GridBase* grid) {
-    if (_grid != grid) {
-      _grid = grid;
-      _odata.resize(grid->oSites());
-      checkerboard = 0;
+    if (this->_grid != grid) {
+      this->_grid = grid;
+      this->resize(grid->oSites());
+      this->checkerboard = 0;
     }
   }
-  
-
-  template<class sobj> strong_inline Lattice<vobj> & operator = (const sobj & r){
-    parallel_for(int ss=0;ss<_grid->oSites();ss++){
-      this->_odata[ss]=r;
-    }
+  ///////////////////////////////////////////
+  // copy constructor
+  ///////////////////////////////////////////
+  Lattice(const Lattice& r){ 
+    this->_grid = r.Grid();
+    resize(this->_grid->oSites());
+    *this = r;
+  }
+  ///////////////////////////////////////////
+  // move constructor
+  ///////////////////////////////////////////
+  Lattice(Lattice && r){ 
+    this->_grid = r.Grid();
+    this->_odata      = r._odata;
+    this->_odata_size = r._odata_size;
+    this->checkerboard= r.Checkerboard();
+    r._odata      = nullptr;
+    r._odata_size = 0;
+  }
+  ///////////////////////////////////////////
+  // assignment template
+  ///////////////////////////////////////////
+  template<class robj> inline Lattice<vobj> & operator = (const Lattice<robj> & r){
+    typename std::enable_if<!std::is_same<robj,vobj>::value,int>::type i=0;
+    conformable(*this,r);
+    this->checkerboard = r.Checkerboard();
+    auto him= r.View(AcceleratorRead);
+    auto me =   View(AcceleratorWriteDiscard);
+    accelerator_for(ss,me.size(),vobj::Nsimd(),{
+      coalescedWrite(me[ss],him(ss));
+    });
+    me.ViewClose();    him.ViewClose();
     return *this;
   }
-  
-  
+
+  ///////////////////////////////////////////
+  // Copy assignment 
+  ///////////////////////////////////////////
+  inline Lattice<vobj> & operator = (const Lattice<vobj> & r){
+    this->checkerboard = r.Checkerboard();
+    conformable(*this,r);
+    auto him= r.View(AcceleratorRead);
+    auto me =   View(AcceleratorWriteDiscard);
+    accelerator_for(ss,me.size(),vobj::Nsimd(),{
+      coalescedWrite(me[ss],him(ss));
+    });
+    me.ViewClose();    him.ViewClose();
+    return *this;
+  }
+  ///////////////////////////////////////////
+  // Move assignment possible if same type
+  ///////////////////////////////////////////
+  inline Lattice<vobj> & operator = (Lattice<vobj> && r){
+
+    resize(0); // deletes if appropriate
+    this->_grid       = r.Grid();
+    this->_odata      = r._odata;
+    this->_odata_size = r._odata_size;
+    this->checkerboard= r.Checkerboard();
+
+    r._odata      = nullptr;
+    r._odata_size = 0;
+    
+    return *this;
+  }
+
+  /////////////////////////////////////////////////////////////////////////////
   // *=,+=,-= operators inherit behvour from correspond */+/- operation
-  template<class T> strong_inline Lattice<vobj> &operator *=(const T &r) {
+  /////////////////////////////////////////////////////////////////////////////
+  template<class T> inline Lattice<vobj> &operator *=(const T &r) {
     *this = (*this)*r;
     return *this;
   }
   
-  template<class T> strong_inline Lattice<vobj> &operator -=(const T &r) {
+  template<class T> inline Lattice<vobj> &operator -=(const T &r) {
     *this = (*this)-r;
     return *this;
   }
-  template<class T> strong_inline Lattice<vobj> &operator +=(const T &r) {
+  template<class T> 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;
-    sobj ss;
-    for(int g=0;g<o._grid->_gsites;g++){
-      o._grid->GlobalIndexToGlobalCoor(g,gcoor);
-      peekSite(ss,o,gcoor);
-      stream<<"[";
-      for(int d=0;d<gcoor.size();d++){
-	stream<<gcoor[d];
-	if(d!=gcoor.size()-1) stream<<",";
-      }
-      stream<<"]\t";
-      stream<<ss<<std::endl;
-    }
-    return stream;
+
+  friend inline void swap(Lattice &l, Lattice &r) { 
+    conformable(l,r);
+    LatticeAccelerator<vobj> tmp;
+    LatticeAccelerator<vobj> *lp = (LatticeAccelerator<vobj> *)&l;
+    LatticeAccelerator<vobj> *rp = (LatticeAccelerator<vobj> *)&r;
+    tmp = *lp;    *lp=*rp;    *rp=tmp;
   }
-  
+
+}; // class Lattice
+
+template<class vobj> std::ostream& operator<< (std::ostream& stream, const Lattice<vobj> &o){
+  typedef typename vobj::scalar_object sobj;
+  for(int g=0;g<o.Grid()->_gsites;g++){
+
+    Coordinate gcoor;
+    o.Grid()->GlobalIndexToGlobalCoor(g,gcoor);
+
+    sobj ss;
+    peekSite(ss,o,gcoor);
+    stream<<"[";
+    for(int d=0;d<gcoor.size();d++){
+      stream<<gcoor[d];
+      if(d!=gcoor.size()-1) stream<<",";
+    }
+    stream<<"]\t";
+    stream<<ss<<std::endl;
+  }
+  return stream;
 }
+  
+NAMESPACE_END(Grid);
 
-
-
-#include "Lattice_conformable.h"
-#define GRID_LATTICE_EXPRESSION_TEMPLATES
-#ifdef  GRID_LATTICE_EXPRESSION_TEMPLATES
-#include "Lattice_ET.h"
-#else 
-#include "Lattice_overload.h"
-#endif
-#include "Lattice_arith.h"
-#include "Lattice_trace.h"
-#include "Lattice_transpose.h"
-#include "Lattice_local.h"
-#include "Lattice_reduction.h"
-#include "Lattice_peekpoke.h"
-#include "Lattice_reality.h"
-#include "Lattice_comparison_utils.h"
-#include "Lattice_comparison.h"
-#include "Lattice_coordinate.h"
-#include "Lattice_where.h"
-#include "Lattice_rng.h"
-#include "Lattice_unary.h"
-#include "Lattice_transfer.h"
-
-
-#endif

Grid/lattice/Lattice_basis.h

@@ -0,0 +1,248 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/lattice/Lattice_basis.h
+
+Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+Author: Christoph Lehner <christoph@lhnr.de>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+			   /*  END LEGAL */
+
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+template<class Field>
+void basisOrthogonalize(std::vector<Field> &basis,Field &w,int k) 
+{
+  // If assume basis[j] are already orthonormal,
+  // can take all inner products in parallel saving 2x bandwidth
+  // Save 3x bandwidth on the second line of loop.
+  // perhaps 2.5x speed up.
+  // 2x overall in Multigrid Lanczos  
+  for(int j=0; j<k; ++j){
+    auto ip = innerProduct(basis[j],w);
+    w = w - ip*basis[j];
+  }
+}
+
+template<class VField, class Matrix>
+void basisRotate(VField &basis,Matrix& Qt,int j0, int j1, int k0,int k1,int Nm) 
+{
+  typedef decltype(basis[0]) Field;
+  typedef decltype(basis[0].View(AcceleratorRead)) View;
+
+  Vector<View> basis_v; basis_v.reserve(basis.size());
+  typedef typename std::remove_reference<decltype(basis_v[0][0])>::type vobj;
+  typedef typename std::remove_reference<decltype(Qt(0,0))>::type Coeff_t;
+  GridBase* grid = basis[0].Grid();
+      
+  for(int k=0;k<basis.size();k++){
+    basis_v.push_back(basis[k].View(AcceleratorWrite));
+  }
+
+#if ( (!defined(GRID_CUDA)) )
+  int max_threads = thread_max();
+  Vector < vobj > Bt(Nm * max_threads);
+  thread_region
+    {
+      vobj* B = &Bt[Nm * thread_num()];
+      thread_for_in_region(ss, grid->oSites(),{
+	  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_v[k][ss];
+	    }
+	  }
+	  for(int j=j0; j<j1; ++j){
+	    basis_v[j][ss] = B[j];
+	  }
+	});
+    }
+#else
+  View *basis_vp = &basis_v[0];
+
+  int nrot = j1-j0;
+  if (!nrot) // edge case not handled gracefully by Cuda
+    return;
+
+  uint64_t oSites   =grid->oSites();
+  uint64_t siteBlock=(grid->oSites()+nrot-1)/nrot; // Maximum 1 additional vector overhead
+
+  Vector <vobj> Bt(siteBlock * nrot); 
+  auto Bp=&Bt[0];
+
+  // GPU readable copy of matrix
+  Vector<Coeff_t> Qt_jv(Nm*Nm);
+  Coeff_t *Qt_p = & Qt_jv[0];
+  thread_for(i,Nm*Nm,{
+      int j = i/Nm;
+      int k = i%Nm;
+      Qt_p[i]=Qt(j,k);
+  });
+
+  // Block the loop to keep storage footprint down
+  for(uint64_t s=0;s<oSites;s+=siteBlock){
+
+    // remaining work in this block
+    int ssites=MIN(siteBlock,oSites-s);
+
+    // zero out the accumulators
+    accelerator_for(ss,siteBlock*nrot,vobj::Nsimd(),{
+	decltype(coalescedRead(Bp[ss])) z;
+	z=Zero();
+	coalescedWrite(Bp[ss],z);
+      });
+
+    accelerator_for(sj,ssites*nrot,vobj::Nsimd(),{
+	
+	int j =sj%nrot;
+	int jj  =j0+j;
+	int ss =sj/nrot;
+	int sss=ss+s;
+
+	for(int k=k0; k<k1; ++k){
+	  auto tmp = coalescedRead(Bp[ss*nrot+j]);
+	  coalescedWrite(Bp[ss*nrot+j],tmp+ Qt_p[jj*Nm+k] * coalescedRead(basis_vp[k][sss]));
+	}
+      });
+
+    accelerator_for(sj,ssites*nrot,vobj::Nsimd(),{
+	int j =sj%nrot;
+	int jj  =j0+j;
+	int ss =sj/nrot;
+	int sss=ss+s;
+	coalescedWrite(basis_vp[jj][sss],coalescedRead(Bp[ss*nrot+j]));
+      });
+  }
+#endif
+
+  for(int k=0;k<basis.size();k++) basis_v[k].ViewClose();
+}
+
+// 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 decltype(basis[0].View(AcceleratorRead)) View;
+  typedef typename Field::vector_object vobj;
+  GridBase* grid = basis[0].Grid();
+
+  result.Checkerboard() = basis[0].Checkerboard();
+
+  Vector<View> basis_v; basis_v.reserve(basis.size());
+  for(int k=0;k<basis.size();k++){
+    basis_v.push_back(basis[k].View(AcceleratorRead));
+  }
+  vobj zz=Zero();
+  Vector<double> Qt_jv(Nm);
+  double * Qt_j = & Qt_jv[0];
+  for(int k=0;k<Nm;++k) Qt_j[k]=Qt(j,k);
+
+  auto basis_vp=& basis_v[0];
+  autoView(result_v,result,AcceleratorWrite);
+  accelerator_for(ss, grid->oSites(),vobj::Nsimd(),{
+    vobj zzz=Zero();
+    auto B=coalescedRead(zzz);
+    for(int k=k0; k<k1; ++k){
+      B +=Qt_j[k] * coalescedRead(basis_vp[k][ss]);
+    }
+    coalescedWrite(result_v[ss], B);
+  });
+  for(int k=0;k<basis.size();k++) basis_v[k].ViewClose();
+}
+
+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);
+
+      swap(_v[i],_v[idx[i]]); // 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);
+}
+
+// PAB: faster to compute the inner products first then fuse loops.
+// If performance critical can improve.
+template<class Field>
+void basisDeflate(const std::vector<Field> &_v,const std::vector<RealD>& eval,const Field& src_orig,Field& result) {
+  result = Zero();
+  assert(_v.size()==eval.size());
+  int N = (int)_v.size();
+  for (int i=0;i<N;i++) {
+    Field& tmp = _v[i];
+    axpy(result,TensorRemove(innerProduct(tmp,src_orig)) / eval[i],tmp,result);
+  }
+}
+
+NAMESPACE_END(Grid);

Grid/lattice/Lattice_comparison.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -24,146 +24,156 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_LATTICE_COMPARISON_H
 #define GRID_LATTICE_COMPARISON_H
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-    //////////////////////////////////////////////////////////////////////////
-    // relational operators
-    // 
-    // Support <,>,<=,>=,==,!=
-    //
-    //Query supporting bitwise &, |, ^, !
-    //Query supporting logical &&, ||, 
-    //////////////////////////////////////////////////////////////////////////
+//////////////////////////////////////////////////////////////////////////
+// relational operators
+// 
+// Support <,>,<=,>=,==,!=
+//
+//Query supporting bitwise &, |, ^, !
+//Query supporting logical &&, ||, 
+//////////////////////////////////////////////////////////////////////////
 
-  //////////////////////////////////////////////////////////////////////////
-  // compare lattice to lattice
-  //////////////////////////////////////////////////////////////////////////
-  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(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> 
-    inline Lattice<vInteger> LSComparison(vfunctor op,const Lattice<lobj> &lhs,const robj &rhs)
-  {
-    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> 
-    inline Lattice<vInteger> SLComparison(vfunctor op,const lobj &lhs,const Lattice<robj> &rhs)
-  {
-    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) {
-     return SLComparison(vgt<lobj,robj>(),lhs,rhs);
-  }
-  
-  
-  // Greater than equal
-   template<class lobj,class robj>
-     inline Lattice<vInteger> operator >= (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
-     return LLComparison(vge<lobj,robj>(),lhs,rhs);
-   }
-   template<class lobj,class robj>
-   inline Lattice<vInteger> operator >= (const Lattice<lobj> & lhs, const robj & rhs) {
-     return LSComparison(vge<lobj,robj>(),lhs,rhs);
-   }
-   template<class lobj,class robj>
-     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) {
-     return LLComparison(veq<lobj,robj>(),lhs,rhs);
-   }
-   template<class lobj,class robj>
-     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) {
-     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) {
-     return LLComparison(vne<lobj,robj>(),lhs,rhs);
-   }
-   template<class lobj,class robj>
-     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) {
-     return SLComparison(vne<lobj,robj>(),lhs,rhs);
-   }
+typedef iScalar<vInteger> vPredicate ;
+
+//////////////////////////////////////////////////////////////////////////
+// compare lattice to lattice
+//////////////////////////////////////////////////////////////////////////
+
+template<class vfunctor,class lobj,class robj>  
+inline Lattice<vPredicate> LLComparison(vfunctor op,const Lattice<lobj> &lhs,const Lattice<robj> &rhs)
+{
+  Lattice<vPredicate> ret(rhs.Grid());
+  autoView( lhs_v, lhs, CpuRead);
+  autoView( rhs_v, rhs, CpuRead);
+  autoView( ret_v, ret, CpuWrite);
+  thread_for( ss, rhs_v.size(), {
+      ret_v[ss]=op(lhs_v[ss],rhs_v[ss]);
+  });
+  return ret;
 }
+//////////////////////////////////////////////////////////////////////////
+// compare lattice to scalar
+//////////////////////////////////////////////////////////////////////////
+template<class vfunctor,class lobj,class robj> 
+inline Lattice<vPredicate> LSComparison(vfunctor op,const Lattice<lobj> &lhs,const robj &rhs)
+{
+  Lattice<vPredicate> ret(lhs.Grid());
+  autoView( lhs_v, lhs, CpuRead);
+  autoView( ret_v, ret, CpuWrite);
+  thread_for( ss, lhs_v.size(), {
+    ret_v[ss]=op(lhs_v[ss],rhs);
+  });
+  return ret;
+}
+//////////////////////////////////////////////////////////////////////////
+// compare scalar to lattice
+//////////////////////////////////////////////////////////////////////////
+template<class vfunctor,class lobj,class robj> 
+inline Lattice<vPredicate> SLComparison(vfunctor op,const lobj &lhs,const Lattice<robj> &rhs)
+{
+  Lattice<vPredicate> ret(rhs.Grid());
+  autoView( rhs_v, rhs, CpuRead);
+  autoView( ret_v, ret, CpuWrite);
+  thread_for( ss, rhs_v.size(), {
+    ret_v[ss]=op(lhs,rhs_v[ss]);
+  });
+  return ret;
+}
+  
+//////////////////////////////////////////////////////////////////////////
+// Map to functors
+//////////////////////////////////////////////////////////////////////////
+// Less than
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator < (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+  return LLComparison(vlt<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator < (const Lattice<lobj> & lhs, const robj & rhs) {
+  return LSComparison(vlt<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> 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<vPredicate> operator <= (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+  return LLComparison(vle<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator <= (const Lattice<lobj> & lhs, const robj & rhs) {
+  return LSComparison(vle<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator <= (const lobj & lhs, const Lattice<robj> & rhs) {
+  return SLComparison(vle<lobj,robj>(),lhs,rhs);
+}
+  
+// Greater than 
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator > (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+  return LLComparison(vgt<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator > (const Lattice<lobj> & lhs, const robj & rhs) {
+  return LSComparison(vgt<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator > (const lobj & lhs, const Lattice<robj> & rhs) {
+  return SLComparison(vgt<lobj,robj>(),lhs,rhs);
+}
+  
+  
+// Greater than equal
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator >= (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+  return LLComparison(vge<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator >= (const Lattice<lobj> & lhs, const robj & rhs) {
+  return LSComparison(vge<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator >= (const lobj & lhs, const Lattice<robj> & rhs) {
+  return SLComparison(vge<lobj,robj>(),lhs,rhs);
+}
+   
+// equal
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator == (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+  return LLComparison(veq<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator == (const Lattice<lobj> & lhs, const robj & rhs) {
+  return LSComparison(veq<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator == (const lobj & lhs, const Lattice<robj> & rhs) {
+  return SLComparison(veq<lobj,robj>(),lhs,rhs);
+}
+   
+   
+// not equal
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator != (const Lattice<lobj> & lhs, const Lattice<robj> & rhs) {
+  return LLComparison(vne<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator != (const Lattice<lobj> & lhs, const robj & rhs) {
+  return LSComparison(vne<lobj,robj>(),lhs,rhs);
+}
+template<class lobj,class robj>
+inline Lattice<vPredicate> operator != (const lobj & lhs, const Lattice<robj> & rhs) {
+  return SLComparison(vne<lobj,robj>(),lhs,rhs);
+}
+NAMESPACE_END(Grid);
 #endif

Grid/lattice/Lattice_comparison_utils.h

@@ -26,10 +26,10 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#ifndef GRID_COMPARISON_H
-#define GRID_COMPARISON_H
 
-namespace Grid {
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
 
   /////////////////////////////////////////
   // This implementation is a bit poor.
@@ -44,42 +44,42 @@ namespace Grid {
   //
   template<class lobj,class robj> class veq {
   public:
-    vInteger operator()(const lobj &lhs, const robj &rhs)
+    accelerator vInteger operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) == (rhs);
     }
   };
   template<class lobj,class robj> class vne {
   public:
-    vInteger operator()(const lobj &lhs, const robj &rhs)
+    accelerator vInteger operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) != (rhs);
     }
   };
   template<class lobj,class robj> class vlt {
   public:
-    vInteger operator()(const lobj &lhs, const robj &rhs)
+    accelerator vInteger operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) < (rhs);
     }
   };
   template<class lobj,class robj> class vle {
   public:
-    vInteger operator()(const lobj &lhs, const robj &rhs)
+    accelerator vInteger operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) <= (rhs);
     }
   };
   template<class lobj,class robj> class vgt {
   public:
-    vInteger operator()(const lobj &lhs, const robj &rhs)
+    accelerator vInteger operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) > (rhs);
     }
   };
   template<class lobj,class robj> class vge {
     public:
-    vInteger operator()(const lobj &lhs, const robj &rhs)
+    accelerator vInteger operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) >= (rhs);
     }
@@ -88,42 +88,42 @@ namespace Grid {
   // Generic list of functors
   template<class lobj,class robj> class seq {
   public:
-    Integer operator()(const lobj &lhs, const robj &rhs)
+    accelerator Integer operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) == (rhs);
     }
   };
   template<class lobj,class robj> class sne {
   public:
-    Integer operator()(const lobj &lhs, const robj &rhs)
+    accelerator Integer operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) != (rhs);
     }
   };
   template<class lobj,class robj> class slt {
   public:
-    Integer operator()(const lobj &lhs, const robj &rhs)
+    accelerator Integer operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) < (rhs);
     }
   };
   template<class lobj,class robj> class sle {
   public:
-    Integer operator()(const lobj &lhs, const robj &rhs)
+    accelerator Integer operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) <= (rhs);
     }
   };
   template<class lobj,class robj> class sgt {
   public:
-    Integer operator()(const lobj &lhs, const robj &rhs)
+    accelerator Integer operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) > (rhs);
     }
   };
   template<class lobj,class robj> class sge {
   public:
-    Integer operator()(const lobj &lhs, const robj &rhs)
+    accelerator Integer operator()(const lobj &lhs, const robj &rhs)
     { 
       return (lhs) >= (rhs);
     }
@@ -133,12 +133,12 @@ namespace Grid {
   // Integer and real get extra relational functions.
   //////////////////////////////////////////////////////////////////////////////////////////////////////
   template<class sfunctor, class vsimd,IfNotComplex<vsimd> = 0> 
-    inline vInteger Comparison(sfunctor sop,const vsimd & lhs, const vsimd & rhs)
+    accelerator_inline vInteger Comparison(sfunctor sop,const vsimd & lhs, const vsimd & rhs)
     {
       typedef typename vsimd::scalar_type scalar;
-      std::vector<scalar> vlhs(vsimd::Nsimd());   // Use functors to reduce this to single implementation
-      std::vector<scalar> vrhs(vsimd::Nsimd());
-      std::vector<Integer> vpred(vsimd::Nsimd());
+      ExtractBuffer<scalar> vlhs(vsimd::Nsimd());   // Use functors to reduce this to single implementation
+      ExtractBuffer<scalar> vrhs(vsimd::Nsimd());
+      ExtractBuffer<Integer> vpred(vsimd::Nsimd());
       vInteger ret;
       extract<vsimd,scalar>(lhs,vlhs);
       extract<vsimd,scalar>(rhs,vrhs);
@@ -150,11 +150,11 @@ namespace Grid {
     }
 
   template<class sfunctor, class vsimd,IfNotComplex<vsimd> = 0> 
-    inline vInteger Comparison(sfunctor sop,const vsimd & lhs, const typename vsimd::scalar_type & rhs)
+    accelerator_inline vInteger Comparison(sfunctor sop,const vsimd & lhs, const typename vsimd::scalar_type & rhs)
     {
       typedef typename vsimd::scalar_type scalar;
-      std::vector<scalar> vlhs(vsimd::Nsimd());   // Use functors to reduce this to single implementation
-      std::vector<Integer> vpred(vsimd::Nsimd());
+      ExtractBuffer<scalar> vlhs(vsimd::Nsimd());   // Use functors to reduce this to single implementation
+      ExtractBuffer<Integer> vpred(vsimd::Nsimd());
       vInteger ret;
       extract<vsimd,scalar>(lhs,vlhs);
       for(int s=0;s<vsimd::Nsimd();s++){
@@ -165,11 +165,11 @@ namespace Grid {
     }
 
   template<class sfunctor, class vsimd,IfNotComplex<vsimd> = 0> 
-    inline vInteger Comparison(sfunctor sop,const typename vsimd::scalar_type & lhs, const vsimd & rhs)
+    accelerator_inline vInteger Comparison(sfunctor sop,const typename vsimd::scalar_type & lhs, const vsimd & rhs)
     {
       typedef typename vsimd::scalar_type scalar;
-      std::vector<scalar> vrhs(vsimd::Nsimd());   // Use functors to reduce this to single implementation
-      std::vector<Integer> vpred(vsimd::Nsimd());
+      ExtractBuffer<scalar> vrhs(vsimd::Nsimd());   // Use functors to reduce this to single implementation
+      ExtractBuffer<Integer> vpred(vsimd::Nsimd());
       vInteger ret;
       extract<vsimd,scalar>(rhs,vrhs);
       for(int s=0;s<vsimd::Nsimd();s++){
@@ -181,30 +181,30 @@ namespace Grid {
 
 #define DECLARE_RELATIONAL_EQ(op,functor) \
   template<class vsimd,IfSimd<vsimd> = 0>\
-    inline vInteger operator op (const vsimd & lhs, const vsimd & rhs)\
+    accelerator_inline vInteger operator op (const vsimd & lhs, const vsimd & rhs)\
     {\
       typedef typename vsimd::scalar_type scalar;\
       return Comparison(functor<scalar,scalar>(),lhs,rhs);\
     }\
   template<class vsimd,IfSimd<vsimd> = 0>\
-    inline vInteger operator op (const vsimd & lhs, const typename vsimd::scalar_type & rhs) \
+    accelerator_inline vInteger operator op (const vsimd & lhs, const typename vsimd::scalar_type & rhs) \
     {\
       typedef typename vsimd::scalar_type scalar;\
       return Comparison(functor<scalar,scalar>(),lhs,rhs);\
     }\
   template<class vsimd,IfSimd<vsimd> = 0>\
-    inline vInteger operator op (const typename vsimd::scalar_type & lhs, const vsimd & rhs) \
+    accelerator_inline vInteger operator op (const typename vsimd::scalar_type & lhs, const vsimd & rhs) \
     {\
       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 typename vsimd::scalar_type &rhs) \
+    accelerator_inline vInteger operator op(const iScalar<vsimd> &lhs,const typename vsimd::scalar_type &rhs) \
     {									\
       return lhs._internal op rhs;					\
     }									\
   template<class vsimd>\
-    inline vInteger operator op(const typename vsimd::scalar_type &lhs,const iScalar<vsimd> &rhs) \
+    accelerator_inline vInteger operator op(const typename vsimd::scalar_type &lhs,const iScalar<vsimd> &rhs) \
     {									\
       return lhs op rhs._internal;					\
     }									\
@@ -212,7 +212,7 @@ namespace Grid {
 #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)\
+    accelerator_inline vInteger operator op(const iScalar<vsimd> &lhs,const iScalar<vsimd> &rhs)\
     {									\
       return lhs._internal op rhs._internal;				\
     }									
@@ -226,7 +226,7 @@ DECLARE_RELATIONAL(!=,sne);
 
 #undef DECLARE_RELATIONAL
 
-}
+NAMESPACE_END(Grid);
+
 
 
-#endif

Grid/lattice/Lattice_conformable.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,18 +23,18 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_LATTICE_CONFORMABLE_H
 #define GRID_LATTICE_CONFORMABLE_H
 
-namespace Grid {
-
-    template<class obj1,class obj2> void conformable(const Lattice<obj1> &lhs,const Lattice<obj2> &rhs)
-    {
-        assert(lhs._grid == rhs._grid);
-        assert(lhs.checkerboard == rhs.checkerboard);
-    }
+NAMESPACE_BEGIN(Grid);
 
+template<class obj1,class obj2> void conformable(const Lattice<obj1> &lhs,const Lattice<obj2> &rhs)
+{
+  assert(lhs.Grid() == rhs.Grid());
+  assert(lhs.Checkerboard() == rhs.Checkerboard());
 }
+
+NAMESPACE_END(Grid);
 #endif

Grid/lattice/Lattice_coordinate.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,34 +23,33 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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_COORDINATE_H
-#define GRID_LATTICE_COORDINATE_H
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once 
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-    template<class iobj> inline void LatticeCoordinate(Lattice<iobj> &l,int mu)
-    {
-      typedef typename iobj::scalar_type scalar_type;
-      typedef typename iobj::vector_type vector_type;
+template<class iobj> inline void LatticeCoordinate(Lattice<iobj> &l,int mu)
+{
+  typedef typename iobj::scalar_type scalar_type;
+  typedef typename iobj::vector_type vector_type;
 
-      GridBase *grid = l._grid;
-      int Nsimd = grid->iSites();
+  GridBase *grid = l.Grid();
+  int Nsimd = grid->iSites();
 
-      std::vector<int> gcoor;
-      std::vector<scalar_type> mergebuf(Nsimd);
+  autoView(l_v, l, CpuWrite);
+  thread_for( o, grid->oSites(), {
+    vector_type vI;
+    Coordinate gcoor;
+    ExtractBuffer<scalar_type> mergebuf(Nsimd);
+    for(int i=0;i<grid->iSites();i++){
+      grid->RankIndexToGlobalCoor(grid->ThisRank(),o,i,gcoor);
+      mergebuf[i]=(Integer)gcoor[mu];
+    }
+    merge<vector_type,scalar_type>(vI,mergebuf);
+    l_v[o]=vI;
+  });
+};
 
-      vector_type vI;
-      for(int o=0;o<grid->oSites();o++){
-	for(int i=0;i<grid->iSites();i++){
-	  grid->RankIndexToGlobalCoor(grid->ThisRank(),o,i,gcoor);
-	  mergebuf[i]=(Integer)gcoor[mu];
-	}
-	merge<vector_type,scalar_type>(vI,mergebuf);
-	l._odata[o]=vI;
-      }
-    };
+NAMESPACE_END(Grid);
 
-}
-#endif

Grid/lattice/Lattice_crc.h

@@ -0,0 +1,55 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/lattice/Lattice_crc.h
+
+    Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+template<class vobj> void DumpSliceNorm(std::string s,Lattice<vobj> &f,int mu=-1)
+{
+  auto ff = localNorm2(f);
+  if ( mu==-1 ) mu = f.Grid()->Nd()-1;
+  typedef typename vobj::tensor_reduced normtype;
+  typedef typename normtype::scalar_object scalar;
+  std::vector<scalar> sff;
+  sliceSum(ff,sff,mu);
+  for(int t=0;t<sff.size();t++){
+    std::cout << s<<" "<<t<<" "<<sff[t]<<std::endl;
+  }
+}
+
+template<class vobj> uint32_t crc(Lattice<vobj> & buf)
+{
+  autoView( buf_v , buf, CpuRead);
+  return ::crc32(0L,(unsigned char *)&buf_v[0],(size_t)sizeof(vobj)*buf.oSites());
+}
+
+#define CRC(U) std::cout << "FingerPrint "<<__FILE__ <<" "<< __LINE__ <<" "<< #U <<" "<<crc(U)<<std::endl;
+
+NAMESPACE_END(Grid);
+
+

Grid/lattice/Lattice_local.h

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+/*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -23,8 +23,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     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 */
+*************************************************************************************/
+/*  END LEGAL */
 #ifndef GRID_LATTICE_LOCALREDUCTION_H
 #define GRID_LATTICE_LOCALREDUCTION_H
 
@@ -32,44 +32,56 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 // localInner, localNorm, outerProduct
 ///////////////////////////////////////////////
 
-namespace Grid {
+NAMESPACE_BEGIN(Grid);
 
-  /////////////////////////////////////////////////////
-  // Non site, reduced locally reduced routines
-  /////////////////////////////////////////////////////
+/////////////////////////////////////////////////////
+// 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(int ss=0;ss<rhs._grid->oSites(); ss++){
-	ret._odata[ss]=innerProduct(rhs._odata[ss],rhs._odata[ss]);
-      }
-      return ret;
-    }
-  
-  // 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(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>
-    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(int ss=0;ss<rhs._grid->oSites(); ss++){
-      ret._odata[ss]=outerProduct(lhs._odata[ss],rhs._odata[ss]);
-    }
-    return ret;
-  }
+// localNorm2,
+template<class vobj>
+inline auto localNorm2 (const Lattice<vobj> &rhs)-> Lattice<typename vobj::tensor_reduced>
+{
+  Lattice<typename vobj::tensor_reduced> ret(rhs.Grid());
+  autoView( rhs_v , rhs, AcceleratorRead);
+  autoView( ret_v , ret, AcceleratorWrite);
+  accelerator_for(ss,rhs_v.size(),vobj::Nsimd(),{
+    coalescedWrite(ret_v[ss],innerProduct(rhs_v(ss),rhs_v(ss)));
+  });
+  return ret;
 }
+  
+// 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());
+  autoView( lhs_v , lhs, AcceleratorRead);
+  autoView( rhs_v , rhs, AcceleratorRead);
+  autoView( ret_v , ret, AcceleratorWrite);
+  accelerator_for(ss,rhs_v.size(),vobj::Nsimd(),{
+    coalescedWrite(ret_v[ss],innerProduct(lhs_v(ss),rhs_v(ss)));
+  });
+  return ret;
+}
+  
+// 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(ll(),rr()))>
+{
+  typedef decltype(coalescedRead(ll())) sll;
+  typedef decltype(coalescedRead(rr())) srr;
+  Lattice<decltype(outerProduct(ll(),rr()))> ret(rhs.Grid());
+  autoView( lhs_v , lhs, AcceleratorRead);
+  autoView( rhs_v , rhs, AcceleratorRead);
+  autoView( ret_v , ret, AcceleratorWrite);
+  accelerator_for(ss,rhs_v.size(),1,{
+    // FIXME had issues with scalar version of outer 
+    // Use vector [] operator and don't read coalesce this loop
+    ret_v[ss]=outerProduct(lhs_v[ss],rhs_v[ss]);
+  });
+  return ret;
+}
+NAMESPACE_END(Grid);
 #endif

Grid/lattice/Lattice_matrix_reduction.h

@@ -0,0 +1,199 @@
+/*************************************************************************************
+    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 */
+#pragma once 
+#include <Grid/Grid_Eigen_Dense.h>
+
+#ifdef GRID_WARN_SUBOPTIMAL
+#warning "Optimisation alert all these reduction loops are NOT threaded "
+#endif     
+
+NAMESPACE_BEGIN(Grid);
+
+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::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);
+
+  //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];
+  autoView( X_v , X, CpuRead);
+  autoView( Y_v , Y, CpuRead);
+  autoView( R_v , R, CpuWrite);
+  thread_region
+  {
+    std::vector<vobj> s_x(Nblock);
+
+    thread_loop_collapse2( (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_v[o+i*ostride];
+	}
+
+	vobj dot;
+	for(int i=0;i<Nblock;i++){
+	  dot = Y_v[o+i*ostride];
+	  for(int j=0;j<Nblock;j++){
+	    dot = dot + s_x[j]*(scale*aa(j,i));
+	  }
+	  R_v[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::vector_type vector_type;
+
+  int Nblock = X.Grid()->GlobalDimensions()[Orthog];
+
+  GridBase *FullGrid  = X.Grid();
+  assert( FullGrid->_simd_layout[Orthog]==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];
+
+  autoView( X_v , X, CpuRead);
+  autoView( R_v , R, CpuWrite);
+
+  thread_region
+  {
+    std::vector<vobj> s_x(Nblock);
+    
+    thread_loop_collapse2( (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_v[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_v[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::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;
+  autoView( lhs_v , lhs, CpuRead);
+  autoView( rhs_v , rhs, CpuRead);
+  thread_region {
+    std::vector<vobj> Left(Nblock);
+    std::vector<vobj> Right(Nblock);
+    Eigen::MatrixXcd  mat_thread = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+
+    thread_loop_collapse2((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_v[o+i*ostride];
+	  Right[i] = rhs_v[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);
+	    ComplexD z = Reduce(rtmp);
+	    mat_thread(i,j) += std::complex<double>(real(z),imag(z));
+	  }}
+    }});
+    thread_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;
+}
+
+NAMESPACE_END(Grid);
+
+
+