Bland SYCL compile

Bugfix/irl convergence

.github/ISSUE_TEMPLATE/bug-report.yml

@@ -0,0 +1,54 @@
+name: Bug report
+description: Report a bug.
+title: "<insert title>"
+labels: [bug]
+
+body:
+  - type: markdown
+    attributes:
+      value: >
+        Thank you for taking the time to file a bug report.
+        Please check that the code is pointing to the HEAD of develop
+        or any commit in master which is tagged with a version number.
+
+  - type: textarea
+    attributes:
+      label: "Describe the issue:"
+      description: >
+        Describe the issue and any previous attempt to solve it.
+    validations:
+      required: true
+
+  - type: textarea
+    attributes:
+      label: "Code example:"
+      description: >
+        If relevant, show how to reproduce the issue using a minimal working
+        example.
+      placeholder: |
+        << your code here >>
+      render: shell
+    validations:
+      required: false
+
+  - type: textarea
+    attributes:
+      label: "Target platform:"
+      description: >
+        Give a description of the target platform (CPU, network, compiler).
+        Please give the full CPU part description, using for example
+        `cat /proc/cpuinfo | grep 'model name' | uniq` (Linux)
+        or `sysctl machdep.cpu.brand_string` (macOS) and the full output
+        the `--version` option of your compiler.
+    validations:
+      required: true
+
+  - type: textarea
+    attributes:
+      label: "Configure options:"
+      description: >
+        Please give the exact configure command used and attach
+        `config.log`, `grid.config.summary` and the output of `make V=1`.
+      render: shell
+    validations:
+      required: true

.gitignore

@@ -88,6 +88,7 @@ Thumbs.db
 # build directory #
 ###################
 build*/*
+Documentation/_build
 
 # IDE related files #
 #####################

.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

Grid/DisableWarnings.h

@@ -37,19 +37,29 @@ directory
 #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
-
-//Eigen only
+#endif
 #endif
 
 // Disable vectorisation in Eigen on the Power8/9 and PowerPC

Grid/GridCore.h

@@ -44,12 +44,13 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #include <Grid/GridStd.h>
 #include <Grid/threads/Pragmas.h>
 #include <Grid/perfmon/Timer.h>
-#include <Grid/perfmon/PerfCount.h>
+//#include <Grid/perfmon/PerfCount.h>
 #include <Grid/util/Util.h>
 #include <Grid/log/Log.h>
-#include <Grid/allocator/AlignedAllocator.h>
+#include <Grid/perfmon/Tracing.h>
+#include <Grid/allocator/Allocator.h>
 #include <Grid/simd/Simd.h>
-#include <Grid/threads/Threads.h>
+#include <Grid/threads/ThreadReduction.h>
 #include <Grid/serialisation/Serialisation.h>
 #include <Grid/util/Sha.h>
 #include <Grid/communicator/Communicator.h> 

Grid/GridQCDcore.h

@@ -36,6 +36,7 @@ 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);

Grid/GridStd.h

@@ -6,6 +6,7 @@
 ///////////////////
 #include <cassert>
 #include <complex>
+#include <memory>
 #include <vector>
 #include <array>
 #include <string>
@@ -15,6 +16,7 @@
 #include <functional>
 #include <stdio.h>
 #include <stdlib.h>
+#include <strings.h>
 #include <stdio.h>
 #include <signal.h>
 #include <ctime>
@@ -27,4 +29,7 @@
 ///////////////////
 #include "Config.h"
 
+#ifdef TOFU
+#undef GRID_COMMS_THREADS
+#endif
 #endif /* GRID_STD_H */

Grid/Grid_Eigen_Dense.h

@@ -14,16 +14,37 @@
 /* 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__
-#undef __CUDA_ARCH__
 #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>
 
@@ -35,7 +56,20 @@
 #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/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/algorithms/Algorithms.h

@@ -29,23 +29,34 @@ 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>
@@ -57,7 +68,9 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #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>
 
 #endif

Grid/algorithms/FFT.h

@@ -1,4 +1,3 @@
-
 /*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
@@ -37,7 +36,6 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #endif
 #endif
 
-
 NAMESPACE_BEGIN(Grid);
 
 template<class scalar> struct FFTW { };
@@ -138,7 +136,7 @@ public:
     flops=0;
     usec =0;
     Coordinate layout(Nd,1);
-    sgrid = new GridCartesian(dimensions,layout,processors);
+    sgrid = new GridCartesian(dimensions,layout,processors,*grid);
   };
     
   ~FFT ( void)  {
@@ -184,14 +182,14 @@ public:
     pencil_gd[dim] = G*processors[dim];
       
     // Pencil global vol LxLxGxLxL per node
-    GridCartesian pencil_g(pencil_gd,layout,processors);
+    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);
-    auto pgbuf_v = pgbuf.View();
+    autoView(pgbuf_v , pgbuf, CpuWrite);
 
     typedef typename FFTW<scalar>::FFTW_scalar FFTW_scalar;
     typedef typename FFTW<scalar>::FFTW_plan   FFTW_plan;
@@ -232,15 +230,18 @@ public:
     result = source;
     int pc = processor_coor[dim];
     for(int p=0;p<processors[dim];p++) {
-      thread_for(idx, sgrid->lSites(),{
+      {
+	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,result,cbuf);
+	  peekLocalSite(s,r_v,cbuf);
 	  cbuf[dim]+=((pc+p) % processors[dim])*L;
-	  //            cbuf[dim]+=p*L;
-	  pokeLocalSite(s,pgbuf,cbuf);
-      });
+	  pokeLocalSite(s,p_v,cbuf);
+        });
+      }
       if (p != processors[dim] - 1) {
 	result = Cshift(result,dim,L);
       }
@@ -269,15 +270,19 @@ public:
     flops+= flops_call*NN;
       
     // writing out result
-    thread_for(idx,sgrid->lSites(),{
+    {
+      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,cgbuf);
-	pokeLocalSite(s,result,clbuf);
-    });
+	peekLocalSite(s,pgbuf_v,cgbuf);
+	pokeLocalSite(s,result_v,clbuf);
+      });
+    }
     result = result*div;
       
     // destroying plan

Grid/algorithms/LinearOperator.h

@@ -43,15 +43,16 @@ NAMESPACE_BEGIN(Grid);
 /////////////////////////////////////////////////////////////////////////////////////////////
 template<class Field> class LinearOperatorBase {
 public:
-
   // Support for coarsening to a multigrid
   virtual void OpDiag (const Field &in, Field &out) = 0; // Abstract base
   virtual void OpDir  (const Field &in, Field &out,int dir,int disp) = 0; // Abstract base
+  virtual void OpDirAll  (const Field &in, std::vector<Field> &out) = 0; // Abstract base
 
   virtual void Op     (const Field &in, Field &out) = 0; // Abstract base
   virtual void AdjOp  (const Field &in, Field &out) = 0; // Abstract base
   virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2)=0;
   virtual void HermOp(const Field &in, Field &out)=0;
+  virtual ~LinearOperatorBase(){};
 };
 
 
@@ -83,6 +84,9 @@ public:
   void OpDir  (const Field &in, Field &out,int dir,int disp) {
     _Mat.Mdir(in,out,dir,disp);
   }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){
+    _Mat.MdirAll(in,out);
+  };
   void Op     (const Field &in, Field &out){
     _Mat.M(in,out);
   }
@@ -90,11 +94,13 @@ public:
     _Mat.Mdag(in,out);
   }
   void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-    _Mat.MdagM(in,out,n1,n2);
+    _Mat.MdagM(in,out);
+    ComplexD dot = innerProduct(in,out);
+    n1=real(dot);
+    n2=norm2(out);
   }
   void HermOp(const Field &in, Field &out){
-    RealD n1,n2;
-    HermOpAndNorm(in,out,n1,n2);
+    _Mat.MdagM(in,out);
   }
 };
 
@@ -116,6 +122,9 @@ public:
     _Mat.Mdir(in,out,dir,disp);
     assert(0);
   }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){
+    assert(0);
+  };
   void Op     (const Field &in, Field &out){
     _Mat.M(in,out);
     assert(0);
@@ -125,17 +134,14 @@ public:
     assert(0);
   }
   void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-    _Mat.MdagM(in,out,n1,n2);
-    out = out + _shift*in;
-
-    ComplexD dot;	
-    dot= innerProduct(in,out);
+    HermOp(in,out);
+    ComplexD dot = innerProduct(in,out);
     n1=real(dot);
     n2=norm2(out);
   }
   void HermOp(const Field &in, Field &out){
-    RealD n1,n2;
-    HermOpAndNorm(in,out,n1,n2);
+    _Mat.MdagM(in,out);
+    out = out + _shift*in;
   }
 };
 
@@ -154,6 +160,9 @@ public:
   void OpDir  (const Field &in, Field &out,int dir,int disp) {
     _Mat.Mdir(in,out,dir,disp);
   }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){
+    _Mat.MdirAll(in,out);
+  };
   void Op     (const Field &in, Field &out){
     _Mat.M(in,out);
   }
@@ -161,8 +170,7 @@ public:
     _Mat.M(in,out);
   }
   void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-    _Mat.M(in,out);
-	
+    HermOp(in,out);
     ComplexD dot= innerProduct(in,out); n1=real(dot);
     n2=norm2(out);
   }
@@ -171,217 +179,341 @@ public:
   }
 };
 
-    //////////////////////////////////////////////////////////
-    // Even Odd Schur decomp operators; there are several
-    // ways to introduce the even odd checkerboarding
-    //////////////////////////////////////////////////////////
-
-    template<class Field>
-    class SchurOperatorBase :  public LinearOperatorBase<Field> {
-    public:
-      virtual  RealD Mpc      (const Field &in, Field &out) =0;
-      virtual  RealD MpcDag   (const Field &in, Field &out) =0;
-      virtual void MpcDagMpc(const Field &in, Field &out,RealD &ni,RealD &no) {
-      Field tmp(in.Grid());
-      tmp.Checkerboard() = in.Checkerboard();
-	ni=Mpc(in,tmp);
-	no=MpcDag(tmp,out);
-      }
-      virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-      out.Checkerboard() = in.Checkerboard();
-	MpcDagMpc(in,out,n1,n2);
-      }
-      virtual void HermOp(const Field &in, Field &out){
-	RealD n1,n2;
-	HermOpAndNorm(in,out,n1,n2);
-      }
-      void Op     (const Field &in, Field &out){
-	Mpc(in,out);
-      }
-      void AdjOp     (const Field &in, Field &out){ 
-	MpcDag(in,out);
-      }
-      // Support for coarsening to a multigrid
-      void OpDiag (const Field &in, Field &out) {
-	assert(0); // must coarsen the unpreconditioned system
-      }
-      void OpDir  (const Field &in, Field &out,int dir,int disp) {
-	assert(0);
-      }
-    };
-    template<class Matrix,class Field>
-    class SchurDiagMooeeOperator :  public SchurOperatorBase<Field> {
-    public:
-      Matrix &_Mat;
-      SchurDiagMooeeOperator (Matrix &Mat): _Mat(Mat){};
-      virtual  RealD Mpc      (const Field &in, Field &out) {
-      Field tmp(in.Grid());
-      tmp.Checkerboard() = !in.Checkerboard();
-	//std::cout <<"grid pointers: in._grid="<< in._grid << " out._grid=" << out._grid << "  _Mat.Grid=" << _Mat.Grid() << " _Mat.RedBlackGrid=" << _Mat.RedBlackGrid() << std::endl;
-
-	_Mat.Meooe(in,tmp);
-	_Mat.MooeeInv(tmp,out);
-	_Mat.Meooe(out,tmp);
-
-      //std::cout << "cb in " << in.Checkerboard() << "  cb out " << out.Checkerboard() << std::endl;
-	_Mat.Mooee(in,out);
-	return axpy_norm(out,-1.0,tmp,out);
-      }
-      virtual  RealD MpcDag   (const Field &in, Field &out){
-	Field tmp(in.Grid());
-
-	_Mat.MeooeDag(in,tmp);
-        _Mat.MooeeInvDag(tmp,out);
-	_Mat.MeooeDag(out,tmp);
-
-	_Mat.MooeeDag(in,out);
-	return axpy_norm(out,-1.0,tmp,out);
-      }
-    };
-    template<class Matrix,class Field>
-      class SchurDiagOneOperator :  public SchurOperatorBase<Field> {
-    protected:
-      Matrix &_Mat;
-    public:
-      SchurDiagOneOperator (Matrix &Mat): _Mat(Mat){};
-
-      virtual  RealD Mpc      (const Field &in, Field &out) {
-	Field tmp(in.Grid());
-
-	_Mat.Meooe(in,out);
-	_Mat.MooeeInv(out,tmp);
-	_Mat.Meooe(tmp,out);
-	_Mat.MooeeInv(out,tmp);
-
-	return axpy_norm(out,-1.0,tmp,in);
-      }
-      virtual  RealD MpcDag   (const Field &in, Field &out){
-	Field tmp(in.Grid());
-
-	_Mat.MooeeInvDag(in,out);
-	_Mat.MeooeDag(out,tmp);
-	_Mat.MooeeInvDag(tmp,out);
-	_Mat.MeooeDag(out,tmp);
-
-	return axpy_norm(out,-1.0,tmp,in);
-      }
-    };
-    template<class Matrix,class Field>
-      class SchurDiagTwoOperator :  public SchurOperatorBase<Field> {
-    protected:
-      Matrix &_Mat;
-    public:
-      SchurDiagTwoOperator (Matrix &Mat): _Mat(Mat){};
-
-      virtual  RealD Mpc      (const Field &in, Field &out) {
-	Field tmp(in.Grid());
-
-	_Mat.MooeeInv(in,out);
-	_Mat.Meooe(out,tmp);
-	_Mat.MooeeInv(tmp,out);
-	_Mat.Meooe(out,tmp);
-
-	return axpy_norm(out,-1.0,tmp,in);
-      }
-      virtual  RealD MpcDag   (const Field &in, Field &out){
-	Field tmp(in.Grid());
-
-	_Mat.MeooeDag(in,out);
-	_Mat.MooeeInvDag(out,tmp);
-	_Mat.MeooeDag(tmp,out);
-	_Mat.MooeeInvDag(out,tmp);
-
-	return axpy_norm(out,-1.0,tmp,in);
-      }
-    };
-    ///////////////////////////////////////////////////////////////////////////////////////////////////
-    // Left  handed Moo^-1 ; (Moo - Moe Mee^-1 Meo) psi = eta  -->  ( 1 - Moo^-1 Moe Mee^-1 Meo ) psi = Moo^-1 eta
-    // Right handed Moo^-1 ; (Moo - Moe Mee^-1 Meo) Moo^-1 Moo psi = eta  -->  ( 1 - Moe Mee^-1 Meo ) Moo^-1 phi=eta ; psi = Moo^-1 phi
-    ///////////////////////////////////////////////////////////////////////////////////////////////////
-    template<class Matrix,class Field> using SchurDiagOneRH = SchurDiagTwoOperator<Matrix,Field> ;
-    template<class Matrix,class Field> using SchurDiagOneLH = SchurDiagOneOperator<Matrix,Field> ;
-    ///////////////////////////////////////////////////////////////////////////////////////////////////
-    //  Staggered use
-    ///////////////////////////////////////////////////////////////////////////////////////////////////
-    template<class Matrix,class Field>
-      class SchurStaggeredOperator :  public SchurOperatorBase<Field> {
-    protected:
-      Matrix &_Mat;
-      Field tmp;
-      RealD mass;
-      double tMpc;
-      double tIP;
-      double tMeo;
-      double taxpby_norm;
-      uint64_t ncall;
+template<class Matrix,class Field>
+class NonHermitianLinearOperator : public LinearOperatorBase<Field> {
+  Matrix &_Mat;
 public:
-      void Report(void)
-      {
-	std::cout << GridLogMessage << " HermOpAndNorm.Mpc "<< tMpc/ncall<<" usec "<<std::endl;
-	std::cout << GridLogMessage << " HermOpAndNorm.IP  "<< tIP /ncall<<" usec "<<std::endl;
-	std::cout << GridLogMessage << " Mpc.MeoMoe        "<< tMeo/ncall<<" usec "<<std::endl;
-	std::cout << GridLogMessage << " Mpc.axpby_norm    "<< taxpby_norm/ncall<<" usec "<<std::endl;
-      }
-      SchurStaggeredOperator (Matrix &Mat): _Mat(Mat), tmp(_Mat.RedBlackGrid()) 
-      { 
-	assert( _Mat.isTrivialEE() );
-	mass = _Mat.Mass();
-	tMpc=0;
-	tIP =0;
-        tMeo=0;
-        taxpby_norm=0;
-	ncall=0;
-      }
+  NonHermitianLinearOperator(Matrix &Mat): _Mat(Mat){};
+  // Support for coarsening to a multigrid
+  void OpDiag (const Field &in, Field &out) {
+    _Mat.Mdiag(in,out);
+  }
+  void OpDir  (const Field &in, Field &out,int dir,int disp) {
+    _Mat.Mdir(in,out,dir,disp);
+  }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){
+    _Mat.MdirAll(in,out);
+  };
+  void Op     (const Field &in, Field &out){
+    _Mat.M(in,out);
+  }
+  void AdjOp     (const Field &in, Field &out){
+    _Mat.Mdag(in,out);
+  }
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
+    assert(0);
+  }
+  void HermOp(const Field &in, Field &out){
+    assert(0);
+  }
+};
+
+//////////////////////////////////////////////////////////
+// Even Odd Schur decomp operators; there are several
+// ways to introduce the even odd checkerboarding
+//////////////////////////////////////////////////////////
+
+template<class Field>
+class SchurOperatorBase :  public LinearOperatorBase<Field> {
+ public:
+  virtual  void Mpc      (const Field &in, Field &out) =0;
+  virtual  void MpcDag   (const Field &in, Field &out) =0;
+  virtual  void MpcDagMpc(const Field &in, Field &out) {
+    Field tmp(in.Grid());
+    tmp.Checkerboard() = in.Checkerboard();
+    Mpc(in,tmp);
+    MpcDag(tmp,out);
+  }
   virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-	ncall++;
-	tMpc-=usecond();
-    n2 = Mpc(in,out);
-	tMpc+=usecond();
-	tIP-=usecond();
-    ComplexD dot= innerProduct(in,out);
-	tIP+=usecond();
-    n1 = real(dot);
+    out.Checkerboard() = in.Checkerboard();
+    MpcDagMpc(in,out);
+    ComplexD dot= innerProduct(in,out); 
+    n1=real(dot);
+    n2=norm2(out);
   }
   virtual void HermOp(const Field &in, Field &out){
-	ncall++;
-	tMpc-=usecond();
-	_Mat.Meooe(in,out);
-	_Mat.Meooe(out,tmp);
-	tMpc+=usecond();
-	taxpby_norm-=usecond();
-	axpby(out,-1.0,mass*mass,tmp,in);
-	taxpby_norm+=usecond();
+    out.Checkerboard() = in.Checkerboard();
+    MpcDagMpc(in,out);
   }
-  virtual  RealD Mpc      (const Field &in, Field &out) 
-  {
+  void Op     (const Field &in, Field &out){
+    Mpc(in,out);
+  }
+  void AdjOp     (const Field &in, Field &out){ 
+    MpcDag(in,out);
+  }
+  // Support for coarsening to a multigrid
+  void OpDiag (const Field &in, Field &out) {
+    assert(0); // must coarsen the unpreconditioned system
+  }
+  void OpDir  (const Field &in, Field &out,int dir,int disp) {
+    assert(0);
+  }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){
+    assert(0);
+  };
+};
+template<class Matrix,class Field>
+  class SchurDiagMooeeOperator :  public SchurOperatorBase<Field> {
+ public:
+    Matrix &_Mat;
+    SchurDiagMooeeOperator (Matrix &Mat): _Mat(Mat){};
+    virtual  void Mpc      (const Field &in, Field &out) {
+      Field tmp(in.Grid());
+      tmp.Checkerboard() = !in.Checkerboard();
+      
+      _Mat.Meooe(in,tmp);
+      _Mat.MooeeInv(tmp,out);
+      _Mat.Meooe(out,tmp);
+      _Mat.Mooee(in,out);
+      axpy(out,-1.0,tmp,out);
+    }
+    virtual void MpcDag   (const Field &in, Field &out){
+      Field tmp(in.Grid());
+	
+      _Mat.MeooeDag(in,tmp);
+      _Mat.MooeeInvDag(tmp,out);
+      _Mat.MeooeDag(out,tmp);
+      _Mat.MooeeDag(in,out);
+      axpy(out,-1.0,tmp,out);
+    }
+};
+template<class Matrix,class Field>
+  class SchurDiagOneOperator :  public SchurOperatorBase<Field> {
+ protected:
+    Matrix &_Mat;
+ public:
+    SchurDiagOneOperator (Matrix &Mat): _Mat(Mat){};
+    
+    virtual void Mpc      (const Field &in, Field &out) {
+      Field tmp(in.Grid());
 
+      _Mat.Meooe(in,out);
+      _Mat.MooeeInv(out,tmp);
+      _Mat.Meooe(tmp,out);
+      _Mat.MooeeInv(out,tmp);
+      axpy(out,-1.0,tmp,in);
+    }
+    virtual void MpcDag   (const Field &in, Field &out){
+      Field tmp(in.Grid());
+      
+      _Mat.MooeeInvDag(in,out);
+      _Mat.MeooeDag(out,tmp);
+      _Mat.MooeeInvDag(tmp,out);
+      _Mat.MeooeDag(out,tmp);
+      axpy(out,-1.0,tmp,in);
+    }
+};
+template<class Matrix,class Field>
+  class SchurDiagTwoOperator :  public SchurOperatorBase<Field> {
+ protected:
+    Matrix &_Mat;
+ public:
+    SchurDiagTwoOperator (Matrix &Mat): _Mat(Mat){};
+    
+    virtual void Mpc      (const Field &in, Field &out) {
+      Field tmp(in.Grid());
+      
+      _Mat.MooeeInv(in,out);
+      _Mat.Meooe(out,tmp);
+      _Mat.MooeeInv(tmp,out);
+      _Mat.Meooe(out,tmp);
+      
+      axpy(out,-1.0,tmp,in);
+    }
+    virtual  void MpcDag   (const Field &in, Field &out){
+      Field tmp(in.Grid());
+
+      _Mat.MeooeDag(in,out);
+      _Mat.MooeeInvDag(out,tmp);
+      _Mat.MeooeDag(tmp,out);
+      _Mat.MooeeInvDag(out,tmp);
+
+      axpy(out,-1.0,tmp,in);
+    }
+};
+
+template<class Field>
+class NonHermitianSchurOperatorBase :  public LinearOperatorBase<Field> 
+{
+ public:
+  virtual void  Mpc      (const Field& in, Field& out) = 0;
+  virtual void  MpcDag   (const Field& in, Field& out) = 0;
+  virtual void  MpcDagMpc(const Field& in, Field& out) {
+    Field tmp(in.Grid());
+    tmp.Checkerboard() = in.Checkerboard();
+    Mpc(in,tmp);
+    MpcDag(tmp,out);
+  }
+  virtual void HermOpAndNorm(const Field& in, Field& out, RealD& n1, RealD& n2) {
+    assert(0);
+  }
+  virtual void HermOp(const Field& in, Field& out) {
+    assert(0);
+  }
+  void Op(const Field& in, Field& out) {
+    Mpc(in, out);
+  }
+  void AdjOp(const Field& in, Field& out) { 
+    MpcDag(in, out);
+  }
+  // Support for coarsening to a multigrid
+  void OpDiag(const Field& in, Field& out) {
+    assert(0); // must coarsen the unpreconditioned system
+  }
+  void OpDir(const Field& in, Field& out, int dir, int disp) {
+    assert(0);
+  }
+  void OpDirAll(const Field& in, std::vector<Field>& out){
+    assert(0);
+  };
+};
+
+template<class Matrix, class Field>
+class NonHermitianSchurDiagMooeeOperator :  public NonHermitianSchurOperatorBase<Field> 
+{
+ public:
+  Matrix& _Mat;
+ NonHermitianSchurDiagMooeeOperator(Matrix& Mat): _Mat(Mat){};
+  virtual void Mpc(const Field& in, Field& out) {
+    Field tmp(in.Grid());
+    tmp.Checkerboard() = !in.Checkerboard();
+    
+    _Mat.Meooe(in, tmp);
+    _Mat.MooeeInv(tmp, out);
+    _Mat.Meooe(out, tmp);
+    
+    _Mat.Mooee(in, out);
+    
+    axpy(out, -1.0, tmp, out);
+  }
+  virtual void MpcDag(const Field& in, Field& out) {
+    Field tmp(in.Grid());
+    
+    _Mat.MeooeDag(in, tmp);
+    _Mat.MooeeInvDag(tmp, out);
+    _Mat.MeooeDag(out, tmp);
+	  
+    _Mat.MooeeDag(in, out);
+    
+    axpy(out, -1.0, tmp, out);
+  }
+};
+    
+template<class Matrix,class Field>
+class NonHermitianSchurDiagOneOperator : public NonHermitianSchurOperatorBase<Field> 
+{
+ protected:
+  Matrix &_Mat;
+  
+ public:
+  NonHermitianSchurDiagOneOperator (Matrix& Mat): _Mat(Mat){};
+  virtual void Mpc(const Field& in, Field& out) {
+    Field tmp(in.Grid());
+	  
+    _Mat.Meooe(in, out);
+    _Mat.MooeeInv(out, tmp);
+    _Mat.Meooe(tmp, out);
+    _Mat.MooeeInv(out, tmp);
+
+    axpy(out, -1.0, tmp, in);
+  }
+  virtual void MpcDag(const Field& in, Field& out) {
+    Field tmp(in.Grid());
+    
+    _Mat.MooeeInvDag(in, out);
+    _Mat.MeooeDag(out, tmp);
+    _Mat.MooeeInvDag(tmp, out);
+    _Mat.MeooeDag(out, tmp);
+    
+    axpy(out, -1.0, tmp, in);
+  }
+};
+
+template<class Matrix, class Field>
+class NonHermitianSchurDiagTwoOperator : public NonHermitianSchurOperatorBase<Field> 
+{
+ protected:
+  Matrix& _Mat;
+  
+ public:
+ NonHermitianSchurDiagTwoOperator(Matrix& Mat): _Mat(Mat){};
+
+  virtual void Mpc(const Field& in, Field& out) {
+    Field tmp(in.Grid());
+    
+    _Mat.MooeeInv(in, out);
+    _Mat.Meooe(out, tmp);
+    _Mat.MooeeInv(tmp, out);
+    _Mat.Meooe(out, tmp);
+
+    axpy(out, -1.0, tmp, in);
+  }
+  virtual void MpcDag(const Field& in, Field& out) {
+    Field tmp(in.Grid());
+    
+    _Mat.MeooeDag(in, out);
+    _Mat.MooeeInvDag(out, tmp);
+    _Mat.MeooeDag(tmp, out);
+    _Mat.MooeeInvDag(out, tmp);
+
+    axpy(out, -1.0, tmp, in);
+  }
+};
+
+///////////////////////////////////////////////////////////////////////////////////////////////////
+// Left  handed Moo^-1 ; (Moo - Moe Mee^-1 Meo) psi = eta  -->  ( 1 - Moo^-1 Moe Mee^-1 Meo ) psi = Moo^-1 eta
+// Right handed Moo^-1 ; (Moo - Moe Mee^-1 Meo) Moo^-1 Moo psi = eta  -->  ( 1 - Moe Mee^-1 Meo Moo^-1) phi=eta ; psi = Moo^-1 phi
+///////////////////////////////////////////////////////////////////////////////////////////////////
+template<class Matrix,class Field> using SchurDiagOneRH = SchurDiagTwoOperator<Matrix,Field> ;
+template<class Matrix,class Field> using SchurDiagOneLH = SchurDiagOneOperator<Matrix,Field> ;
+///////////////////////////////////////////////////////////////////////////////////////////////////
+//  Staggered use
+///////////////////////////////////////////////////////////////////////////////////////////////////
+template<class Matrix,class Field>
+class SchurStaggeredOperator :  public SchurOperatorBase<Field> {
+ protected:
+  Matrix &_Mat;
+  Field tmp;
+  RealD mass;
+ public:
+  SchurStaggeredOperator (Matrix &Mat): _Mat(Mat), tmp(_Mat.RedBlackGrid()) 
+  { 
+    assert( _Mat.isTrivialEE() );
+    mass = _Mat.Mass();
+  }
+  virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
+    Mpc(in,out);
+    ComplexD dot= innerProduct(in,out);
+    n1 = real(dot);
+    n2 =0.0;
+  }
+  virtual void HermOp(const Field &in, Field &out){
+    Mpc(in,out);
+    //    _Mat.Meooe(in,out);
+    //    _Mat.Meooe(out,tmp);
+    //    axpby(out,-1.0,mass*mass,tmp,in);
+  }
+  virtual  void Mpc      (const Field &in, Field &out) 
+  {
     Field tmp(in.Grid());
     Field tmp2(in.Grid());
+	
+    //    _Mat.Mooee(in,out);
+    //    _Mat.Mooee(out,tmp);
 
-    //    std::cout << GridLogIterative << " HermOp.Mpc "<<std::endl;
-    _Mat.Mooee(in,out);
-    _Mat.Mooee(out,tmp);
-    //    std::cout << GridLogIterative << " HermOp.MooeeMooee "<<std::endl;
-
-    tMeo-=usecond();
     _Mat.Meooe(in,out);
     _Mat.Meooe(out,tmp);
-    tMeo+=usecond();
-    taxpby_norm-=usecond();
-    RealD nn=axpby_norm(out,-1.0,mass*mass,tmp,in);
-    taxpby_norm+=usecond();
-    return nn;
+    axpby(out,-1.0,mass*mass,tmp,in);
   }
-  virtual  RealD MpcDag   (const Field &in, Field &out){
-    return Mpc(in,out);
+  virtual  void MpcDag   (const Field &in, Field &out){
+    Mpc(in,out);
   }
-  virtual void MpcDagMpc(const Field &in, Field &out,RealD &ni,RealD &no) {
+  virtual void MpcDagMpc(const Field &in, Field &out) {
     assert(0);// Never need with staggered
   }
 };
 template<class Matrix,class Field> using SchurStagOperator = SchurStaggeredOperator<Matrix,Field>;
 
-
 /////////////////////////////////////////////////////////////
 // Base classes for functions of operators
 /////////////////////////////////////////////////////////////
@@ -394,11 +526,23 @@ public:
       (*this)(Linop,in[k],out[k]);
     }
   };
+  virtual ~OperatorFunction(){};
 };
 
 template<class Field> class LinearFunction {
 public:
   virtual void operator() (const Field &in, Field &out) = 0;
+
+  virtual void operator() (const std::vector<Field> &in, std::vector<Field> &out)
+  {
+    assert(in.size() == out.size());
+
+    for (unsigned int i = 0; i < in.size(); ++i)
+    {
+      (*this)(in[i], out[i]);
+    }
+  }
+  virtual ~LinearFunction(){};
 };
 
 template<class Field> class IdentityLinearFunction : public LinearFunction<Field> {
@@ -444,6 +588,7 @@ class HermOpOperatorFunction : public OperatorFunction<Field> {
 template<typename Field>
 class PlainHermOp : public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
   LinearOperatorBase<Field> &_Linop;
       
   PlainHermOp(LinearOperatorBase<Field>& linop) : _Linop(linop) 
@@ -457,6 +602,7 @@ public:
 template<typename Field>
 class FunctionHermOp : public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator(); 
   OperatorFunction<Field>   & _poly;
   LinearOperatorBase<Field> &_Linop;
       

Grid/algorithms/Preconditioner.h

@@ -30,13 +30,19 @@ Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
 
 NAMESPACE_BEGIN(Grid);
 
-template<class Field> class Preconditioner :  public LinearFunction<Field> { 
+template<class Field> using Preconditioner =  LinearFunction<Field> ;
+
+/*
+template<class Field> class Preconditioner :  public LinearFunction<Field> {
+  using LinearFunction<Field>::operator();
   virtual void operator()(const Field &src, Field & psi)=0;
 };
+*/
 
 template<class Field> class TrivialPrecon :  public Preconditioner<Field> { 
 public:
-  void operator()(const Field &src, Field & psi){
+  using Preconditioner<Field>::operator();
+  virtual void operator()(const Field &src, Field & psi){
     psi = src;
   }
   TrivialPrecon(void){};

Grid/algorithms/SparseMatrix.h

@@ -38,15 +38,17 @@ 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) {
+  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());
-    ni=M(in,tmp);
-    no=Mdag(tmp,out);
+    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() {};
 };
 
 /////////////////////////////////////////////////////////////////////////////////////////////
@@ -56,12 +58,12 @@ template<class Field> class CheckerBoardedSparseMatrixBase : public SparseMatrix
 public:
   virtual GridBase *RedBlackGrid(void)=0;
 
-      //////////////////////////////////////////////////////////////////////
-      // Query the even even properties to make algorithmic decisions
-      //////////////////////////////////////////////////////////////////////
-      virtual RealD  Mass(void)        { return 0.0; };
-      virtual int    ConstEE(void)     { return 1; }; // Disable assumptions unless overridden
-      virtual int    isTrivialEE(void) { return 0; }; // by a derived class that knows better
+  //////////////////////////////////////////////////////////////////////
+  // 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;
@@ -71,7 +73,7 @@ public:
   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);

Grid/algorithms/approx/Chebyshev.h

@@ -94,6 +94,24 @@ public:
     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;
+    }
+    
+  };
 
   void Init(RealD _lo,RealD _hi,int _order, RealD (* func)(RealD))
   {
@@ -216,10 +234,8 @@ public:
 
     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();
+    typedef typename Field::vector_type vector_type;
 
     Field T0(grid); T0 = in;  
     Field T1(grid); 
@@ -234,19 +250,19 @@ public:
     RealD xscale = 2.0/(hi-lo);
     RealD mscale = -(hi+lo)/(hi-lo);
     Linop.HermOp(T0,y);
-    T1=y*xscale+in*mscale;
+    axpby(T1,xscale,mscale,y,in);
 
     // sum = .5 c[0] T0 + c[1] T1
-    out = (0.5*Coeffs[0])*T0 + Coeffs[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);
-
-      y=xscale*y+mscale*(*Tn);
-
-      *Tnp=2.0*y-(*Tnm);
-
-      out=out+Coeffs[n]* (*Tnp);
+      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;

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/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/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/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

@@ -52,6 +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)
@@ -306,7 +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;
@@ -442,7 +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;
@@ -653,7 +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 ) { 
 
@@ -668,7 +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;

Grid/algorithms/iterative/ConjugateGradient.h

@@ -49,6 +49,7 @@ public:
   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),
@@ -57,6 +58,7 @@ public:
 
   void operator()(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi) {
 
+    GRID_TRACE("ConjugateGradient");
     psi.Checkerboard() = src.Checkerboard();
 
     conformable(psi, src);
@@ -71,7 +73,6 @@ public:
     // Initial residual computation & set up
     RealD guess = norm2(psi);
     assert(std::isnan(guess) == 0);
-
     
     Linop.HermOpAndNorm(psi, mmp, d, b);
     
@@ -82,6 +83,14 @@ public:
     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;
@@ -93,6 +102,7 @@ public:
 
     // 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;
@@ -108,9 +118,13 @@ public:
     GridStopWatch MatrixTimer;
     GridStopWatch SolverTimer;
 
+    RealD usecs = -usecond();
     SolverTimer.Start();
     int k;
     for (k = 1; k <= MaxIterations; k++) {
+
+      GridStopWatch IterationTimer;
+      IterationTimer.Start();
       c = cp;
 
       MatrixTimer.Start();
@@ -131,33 +145,43 @@ public:
       b = cp / c;
 
       LinearCombTimer.Start();
-      auto psi_v = psi.View();
-      auto p_v   = p.View();
-      auto r_v   = r.View();
-      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));
-      });
+      {
+	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;
-
+	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 " << 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 << "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;
@@ -167,13 +191,22 @@ public:
 	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;
       }
     }
+    // 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);

Grid/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -35,7 +35,8 @@ NAMESPACE_BEGIN(Grid);
     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;
@@ -48,6 +49,7 @@ NAMESPACE_BEGIN(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;
@@ -67,6 +69,7 @@ NAMESPACE_BEGIN(Grid);
     }
   
   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;
@@ -96,6 +99,7 @@ NAMESPACE_BEGIN(Grid);
     FieldF sol_f(SinglePrecGrid);
     sol_f.Checkerboard() = cb;
     
+    std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Starting initial inner CG with tolerance " << inner_tol << std::endl;
     ConjugateGradient<FieldF> CG_f(inner_tol, MaxInnerIterations);
     CG_f.ErrorOnNoConverge = false;
 
@@ -104,7 +108,10 @@ NAMESPACE_BEGIN(Grid);
     GridStopWatch PrecChangeTimer;
     
     Integer &outer_iter = TotalOuterIterations; //so it will be equal to the final iteration count
-      
+
+    precisionChangeWorkspace pc_wk_sp_to_dp(DoublePrecGrid, SinglePrecGrid);
+    precisionChangeWorkspace pc_wk_dp_to_sp(SinglePrecGrid, DoublePrecGrid);
+    
     for(outer_iter = 0; outer_iter < MaxOuterIterations; outer_iter++){
       //Compute double precision rsd and also new RHS vector.
       Linop_d.HermOp(sol_d, tmp_d);
@@ -119,7 +126,7 @@ NAMESPACE_BEGIN(Grid);
       while(norm * inner_tol * inner_tol < stop) inner_tol *= 2;  // inner_tol = sqrt(stop/norm) ??
 
       PrecChangeTimer.Start();
-      precisionChange(src_f, src_d);
+      precisionChange(src_f, src_d, pc_wk_dp_to_sp);
       PrecChangeTimer.Stop();
       
       sol_f = Zero();
@@ -129,6 +136,7 @@ NAMESPACE_BEGIN(Grid);
 	(*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);
@@ -137,7 +145,7 @@ NAMESPACE_BEGIN(Grid);
       
       //Convert sol back to double and add to double prec solution
       PrecChangeTimer.Start();
-      precisionChange(tmp_d, sol_f);
+      precisionChange(tmp_d, sol_f, pc_wk_sp_to_dp);
       PrecChangeTimer.Stop();
       
       axpy(sol_d, 1.0, tmp_d, sol_d);
@@ -149,6 +157,7 @@ NAMESPACE_BEGIN(Grid);
     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;

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

@@ -44,17 +44,21 @@ public:
 
   using OperatorFunction<Field>::operator();
 
-  RealD   Tolerance;
+  //  RealD   Tolerance;
   Integer MaxIterations;
-    Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+  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,MultiShiftFunction &_shifts) : 
+  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)
@@ -80,6 +84,7 @@ public:
 
   void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector<Field> &psi)
   {
+    GRID_TRACE("ConjugateGradientMultiShift");
   
     GridBase *grid = src.Grid();
   
@@ -125,6 +130,17 @@ public:
     // Residuals "r" are src
     // First search direction "p" is also src
     cp = norm2(src);
+
+    // Handle trivial case of zero src.
+    if( cp == 0. ){
+      for(int s=0;s<nshift;s++){
+	psi[s] = Zero();
+	IterationsToCompleteShift[s] = 1;
+	TrueResidualShift[s] = 0.;
+      }
+      return;
+    }
+
     for(int s=0;s<nshift;s++){
       rsq[s] = cp * mresidual[s] * mresidual[s];
       std::cout<<GridLogMessage<<"ConjugateGradientMultiShift: shift "<<s
@@ -167,6 +183,9 @@ public:
     for(int s=0;s<nshift;s++) {
       axpby(psi[s],0.,-bs[s]*alpha[s],src,src);
     }
+
+    std::cout << GridLogIterative << "ConjugateGradientMultiShift: initial rn (|src|^2) =" << rn << " qq (|MdagM src|^2) =" << qq << " d ( dot(src, [MdagM + m_0]src) ) =" << d << " c=" << c << std::endl;
+    
   
   ///////////////////////////////////////
   // Timers
@@ -270,6 +289,7 @@ public:
       for(int s=0;s<nshift;s++){
       
 	if ( (!converged[s]) ){
+	  IterationsToCompleteShift[s] = k;
 	
 	  RealD css  = c * z[s][iz]* z[s][iz];
 	
@@ -299,13 +319,14 @@ public:
 	  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;
+	  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;	

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;
+      precisionChange(ps_f[s],src_d);
+    }
+    // r and p for primary
+    p_d = src_d; //primary copy --- make this a reference to ps_d to save axpys
+    r_d = p_d;
+    
+    //MdagM+m[0]
+    precisionChange(p_f,p_d);
+    Linop_f.HermOpAndNorm(p_f,mmp_f,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    precisionChange(tmp_d,mmp_f);
+    Linop_d.HermOpAndNorm(p_d,mmp_d,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    tmp_d = tmp_d - mmp_d;
+    std::cout << " Testing operators match "<<norm2(mmp_d)<<" f "<<norm2(mmp_f)<<" diff "<< norm2(tmp_d)<<std::endl;
+    //    assert(norm2(tmp_d)< 1.0e-4);
+
+    axpy(mmp_d,mass[0],p_d,mmp_d);
+    RealD rn = norm2(p_d);
+    d += rn*mass[0];
+
+    b = -cp /d;
+  
+    // Set up the various shift variables
+    int       iz=0;
+    z[0][1-iz] = 1.0;
+    z[0][iz]   = 1.0;
+    bs[0]      = b;
+    for(int s=1;s<nshift;s++){
+      z[s][1-iz] = 1.0;
+      z[s][iz]   = 1.0/( 1.0 - b*(mass[s]-mass[0]));
+      bs[s]      = b*z[s][iz]; 
+    }
+  
+    // r += b[0] A.p[0]
+    // c= norm(r)
+    c=axpy_norm(r_d,b,mmp_d,r_d);
+  
+    for(int s=0;s<nshift;s++) {
+      axpby(psi_d[s],0.,-bs[s]*alpha[s],src_d,src_d);
+      precisionChange(psi_f[s],psi_d[s]);
+    }
+  
+    ///////////////////////////////////////
+    // Timers
+    ///////////////////////////////////////
+    GridStopWatch AXPYTimer, ShiftTimer, QRTimer, MatrixTimer, SolverTimer, PrecChangeTimer, CleanupTimer;
+
+    SolverTimer.Start();
+  
+    // Iteration loop
+    int k;
+  
+    for (k=1;k<=MaxIterationsMshift;k++){    
+
+      a = c /cp;
+      AXPYTimer.Start();
+      axpy(p_d,a,p_d,r_d); 
+      AXPYTimer.Stop();
+
+      PrecChangeTimer.Start();
+      precisionChange(r_f, r_d);
+      PrecChangeTimer.Stop();
+
+      AXPYTimer.Start();
+      for(int s=0;s<nshift;s++){
+	if ( ! converged[s] ) { 
+	  if (s==0){
+	    axpy(ps_f[s],a,ps_f[s],r_f);
+	  } else{
+	    RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
+	    axpby(ps_f[s],z[s][iz],as,r_f,ps_f[s]);
+	  }
+	}
+      }
+      AXPYTimer.Stop();
+
+      cp=c;
+      PrecChangeTimer.Start();
+      precisionChange(p_f, p_d); //get back single prec search direction for linop
+      PrecChangeTimer.Stop();
+      MatrixTimer.Start();  
+      Linop_f.HermOp(p_f,mmp_f);
+      MatrixTimer.Stop();  
+      PrecChangeTimer.Start();
+      precisionChange(mmp_d, mmp_f); // From Float to Double
+      PrecChangeTimer.Stop();
+
+      d=real(innerProduct(p_d,mmp_d));    
+      axpy(mmp_d,mass[0],p_d,mmp_d);
+      RealD rn = norm2(p_d);
+      d += rn*mass[0];
+    
+      bp=b;
+      b=-cp/d;
+
+      // Toggle the recurrence history
+      bs[0] = b;
+      iz = 1-iz;
+      ShiftTimer.Start();
+      for(int s=1;s<nshift;s++){
+	if((!converged[s])){
+	  RealD z0 = z[s][1-iz];
+	  RealD z1 = z[s][iz];
+	  z[s][iz] = z0*z1*bp
+	    / (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b)); 
+	  bs[s] = b*z[s][iz]/z0; // NB sign  rel to Mike
+	}
+      }
+      ShiftTimer.Stop();
+
+      //Update single precision solutions
+      AXPYTimer.Start();
+      for(int s=0;s<nshift;s++){
+	int ss = s;
+	if( (!converged[s]) ) { 
+	  axpy(psi_f[ss],-bs[s]*alpha[s],ps_f[s],psi_f[ss]);
+	}
+      }
+      c = axpy_norm(r_d,b,mmp_d,r_d);
+      AXPYTimer.Stop();
+    
+      // Convergence checks
+      int all_converged = 1;
+      for(int s=0;s<nshift;s++){
+      
+	if ( (!converged[s]) ){
+	  IterationsToCompleteShift[s] = k;
+	
+	  RealD css  = c * z[s][iz]* z[s][iz];
+	
+	  if(css<rsqf[s]){
+	    if ( ! converged[s] )
+	      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
+	    converged[s]=1;
+	  } else {
+	    all_converged=0;
+	  }
+
+	}
+      }
+
+      if ( all_converged || k == MaxIterationsMshift-1){
+
+	SolverTimer.Stop();
+
+	for(int s=0;s<nshift;s++){
+	  precisionChange(psi_d[s],psi_f[s]);
+	}
+
+	
+	if ( all_converged ){
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: All shifts have converged iteration "<<k<<std::endl;
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: Checking solutions"<<std::endl;
+	} else {
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: Not all shifts have converged iteration "<<k<<std::endl;
+	}
+	
+	// Check answers 
+	for(int s=0; s < nshift; s++) { 
+	  Linop_d.HermOpAndNorm(psi_d[s],mmp_d,d,qq);
+	  axpy(tmp_d,mass[s],psi_d[s],mmp_d);
+	  axpy(r_d,-alpha[s],src_d,tmp_d);
+	  RealD rn = norm2(r_d);
+	  RealD cn = norm2(src_d);
+	  TrueResidualShift[s] = std::sqrt(rn/cn);
+	  std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup: shift["<<s<<"] true residual "<< TrueResidualShift[s] << " target " << mresidual[s] << std::endl;
+
+	  //If we have not reached the desired tolerance, do a (mixed precision) CG cleanup
+	  if(rn >= rsq[s]){
+	    CleanupTimer.Start();
+	    std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup: performing cleanup step for shift " << s << std::endl;
+
+	    //Setup linear operators for final cleanup
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldD> Linop_shift_d(Linop_d, mass[s]);
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldF> Linop_shift_f(Linop_f, mass[s]);
+					       
+	    MixedPrecisionConjugateGradient<FieldD,FieldF> cg(mresidual[s], MaxIterations, MaxIterations, SinglePrecGrid, Linop_shift_f, Linop_shift_d); 
+	    cg(src_d, psi_d[s]);
+	    
+	    TrueResidualShift[s] = cg.TrueResidual;
+	    CleanupTimer.Stop();
+	  }
+	}
+
+	std::cout << GridLogMessage << "ConjugateGradientMultiShiftMixedPrecCleanup: Time Breakdown for body"<<std::endl;
+	std::cout << GridLogMessage << "\tSolver    " << SolverTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tAXPY    " << AXPYTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tMatrix    " << MatrixTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tShift    " << ShiftTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tPrecision Change " << PrecChangeTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tFinal Cleanup " << CleanupTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tSolver+Cleanup " << SolverTimer.Elapsed() + CleanupTimer.Elapsed() << std::endl;
+
+	IterationsToComplete = k;	
+
+	return;
+      }
+   
+    }
+    std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
+    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)< 1.0);
+
+    axpy(mmp_d,mass[0],p_d,mmp_d);
+    RealD rn = norm2(p_d);
+    d += rn*mass[0];
+
+    b = -cp /d;
+  
+    // Set up the various shift variables
+    int       iz=0;
+    z[0][1-iz] = 1.0;
+    z[0][iz]   = 1.0;
+    bs[0]      = b;
+    for(int s=1;s<nshift;s++){
+      z[s][1-iz] = 1.0;
+      z[s][iz]   = 1.0/( 1.0 - b*(mass[s]-mass[0]));
+      bs[s]      = b*z[s][iz]; 
+    }
+  
+    // r += b[0] A.p[0]
+    // c= norm(r)
+    c=axpy_norm(r_d,b,mmp_d,r_d);
+  
+    for(int s=0;s<nshift;s++) {
+      axpby(psi_d[s],0.,-bs[s]*alpha[s],src_d,src_d);
+    }
+  
+    ///////////////////////////////////////
+    // Timers
+    ///////////////////////////////////////
+    GridStopWatch AXPYTimer, ShiftTimer, QRTimer, MatrixTimer, SolverTimer, PrecChangeTimer, CleanupTimer;
+
+    SolverTimer.Start();
+  
+    // Iteration loop
+    int k;
+  
+    for (k=1;k<=MaxIterationsMshift;k++){    
+
+      a = c /cp;
+      AXPYTimer.Start();
+      axpy(p_d,a,p_d,r_d); 
+
+      for(int s=0;s<nshift;s++){
+	if ( ! converged[s] ) { 
+	  if (s==0){
+	    axpy(ps_d[s],a,ps_d[s],r_d);
+	  } else{
+	    RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
+	    axpby(ps_d[s],z[s][iz],as,r_d,ps_d[s]);
+	  }
+	}
+      }
+      AXPYTimer.Stop();
+
+      PrecChangeTimer.Start();
+      precisionChange(p_f, p_d, pc_wk_d_to_s); //get back single prec search direction for linop
+      PrecChangeTimer.Stop();
+
+      cp=c;
+      MatrixTimer.Start();  
+      Linop_f.HermOp(p_f,mmp_f);
+      MatrixTimer.Stop();  
+
+      PrecChangeTimer.Start();
+      precisionChange(mmp_d, mmp_f, pc_wk_s_to_d); // From Float to Double
+      PrecChangeTimer.Stop();
+
+      AXPYTimer.Start();
+      d=real(innerProduct(p_d,mmp_d));    
+      axpy(mmp_d,mass[0],p_d,mmp_d);
+      AXPYTimer.Stop();
+      RealD rn = norm2(p_d);
+      d += rn*mass[0];
+    
+      bp=b;
+      b=-cp/d;
+
+      // Toggle the recurrence history
+      bs[0] = b;
+      iz = 1-iz;
+      ShiftTimer.Start();
+      for(int s=1;s<nshift;s++){
+	if((!converged[s])){
+	  RealD z0 = z[s][1-iz];
+	  RealD z1 = z[s][iz];
+	  z[s][iz] = z0*z1*bp
+	    / (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b)); 
+	  bs[s] = b*z[s][iz]/z0; // NB sign  rel to Mike
+	}
+      }
+      ShiftTimer.Stop();
+
+      //Update double precision solutions
+      AXPYTimer.Start();
+      for(int s=0;s<nshift;s++){
+	int ss = s;
+	if( (!converged[s]) ) { 
+	  axpy(psi_d[ss],-bs[s]*alpha[s],ps_d[s],psi_d[ss]);
+	}
+      }
+
+      //Perform reliable update if necessary; otherwise update residual from single-prec mmp
+      c = axpy_norm(r_d,b,mmp_d,r_d);
+
+      AXPYTimer.Stop();
+
+      if(k % ReliableUpdateFreq == 0){
+	RealD c_old = c;
+	//Replace r with true residual
+	MatrixTimer.Start();  
+	Linop_d.HermOp(psi_d[0],mmp_d); 
+	MatrixTimer.Stop();  
+
+	AXPYTimer.Start();
+	axpy(mmp_d,mass[0],psi_d[0],mmp_d);
+
+	c = axpy_norm(r_d, -1.0, mmp_d, src_d);
+	AXPYTimer.Stop();
+
+	std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<< ", replaced |r|^2 = "<<c_old <<" with |r|^2 = "<<c<<std::endl;
+      }
+    
+      // Convergence checks
+      int all_converged = 1;
+      for(int s=0;s<nshift;s++){
+      
+	if ( (!converged[s]) ){
+	  IterationsToCompleteShift[s] = k;
+	
+	  RealD css  = c * z[s][iz]* z[s][iz];
+	
+	  if(css<rsqf[s]){
+	    if ( ! converged[s] )
+	      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
+	    converged[s]=1;
+	  } else {
+	    all_converged=0;
+	  }
+
+	}
+      }
+
+      if ( all_converged || k == MaxIterationsMshift-1){
+
+	SolverTimer.Stop();
+
+	if ( all_converged ){
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: All shifts have converged iteration "<<k<<std::endl;
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: Checking solutions"<<std::endl;
+	} else {
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: Not all shifts have converged iteration "<<k<<std::endl;
+	}
+	
+	// Check answers 
+	for(int s=0; s < nshift; s++) { 
+	  Linop_d.HermOpAndNorm(psi_d[s],mmp_d,d,qq);
+	  axpy(tmp_d,mass[s],psi_d[s],mmp_d);
+	  axpy(r_d,-alpha[s],src_d,tmp_d);
+	  RealD rn = norm2(r_d);
+	  RealD cn = norm2(src_d);
+	  TrueResidualShift[s] = std::sqrt(rn/cn);
+	  std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: shift["<<s<<"] true residual "<< TrueResidualShift[s] << " target " << mresidual[s] << std::endl;
+
+	  //If we have not reached the desired tolerance, do a (mixed precision) CG cleanup
+	  if(rn >= rsq[s]){
+	    CleanupTimer.Start();
+	    std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: performing cleanup step for shift " << s << std::endl;
+
+	    //Setup linear operators for final cleanup
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldD> Linop_shift_d(Linop_d, mass[s]);
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldF> Linop_shift_f(Linop_f, mass[s]);
+					       
+	    MixedPrecisionConjugateGradient<FieldD,FieldF> cg(mresidual[s], MaxIterations, MaxIterations, SinglePrecGrid, Linop_shift_f, Linop_shift_d); 
+	    cg(src_d, psi_d[s]);
+	    
+	    TrueResidualShift[s] = cg.TrueResidual;
+	    CleanupTimer.Stop();
+	  }
+	}
+
+	std::cout << GridLogMessage << "ConjugateGradientMultiShiftMixedPrec: Time Breakdown for body"<<std::endl;
+	std::cout << GridLogMessage << "\tSolver    " << SolverTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tAXPY    " << AXPYTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tMatrix    " << MatrixTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tShift    " << ShiftTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tPrecision Change " << PrecChangeTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tFinal Cleanup " << CleanupTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tSolver+Cleanup " << SolverTimer.Elapsed() + CleanupTimer.Elapsed() << std::endl;
+
+	IterationsToComplete = k;	
+
+	return;
+      }
+   
+    }
+    std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
+    assert(0);
+  }
+
+};
+NAMESPACE_END(Grid);
+#endif

Grid/algorithms/iterative/ConjugateGradientReliableUpdate.h

@@ -48,7 +48,7 @@ public:
   LinearOperatorBase<FieldF> &Linop_f;
   LinearOperatorBase<FieldD> &Linop_d;
   GridBase* SinglePrecGrid;
-  RealD Delta; //reliable update parameter
+  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;
@@ -65,7 +65,9 @@ public:
       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;
@@ -73,6 +75,7 @@ public:
   }
     
   void operator()(const FieldD &src, FieldD &psi) {
+    GRID_TRACE("ConjugateGradientReliableUpdate");
     LinearOperatorBase<FieldF> *Linop_f_use = &Linop_f;
     bool using_fallback = false;
       
@@ -115,9 +118,12 @@ public:
     }
 
     //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);
+    precisionChange(r_f, r, pc_wk_dp_to_sp);
 
     FieldF psi_f(r_f);
     psi_f = Zero();
@@ -133,7 +139,8 @@ public:
     GridStopWatch LinalgTimer;
     GridStopWatch MatrixTimer;
     GridStopWatch SolverTimer;
-
+    GridStopWatch PrecChangeTimer;
+    
     SolverTimer.Start();
     int k = 0;
     int l = 0;
@@ -172,7 +179,9 @@ public:
       // 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);
+	PrecChangeTimer.Start();
+	precisionChange(mmp, psi_f, pc_wk_sp_to_dp);
+	PrecChangeTimer.Stop();
 	psi = psi + mmp;
 	
 	
@@ -193,7 +202,10 @@ public:
 	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;
 	  
@@ -213,14 +225,21 @@ public:
       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);
+	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();
-	precisionChange(r_f, r);
+	PrecChangeTimer.Start();
+	precisionChange(r_f, r, pc_wk_dp_to_sp);
+	PrecChangeTimer.Stop();
 	cp = norm2(r);
 	MaxResidSinceLastRelUp = cp;
 

Grid/algorithms/iterative/Deflation.h

@@ -33,16 +33,19 @@ namespace Grid {
 template<class Field>
 class ZeroGuesser: public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
     virtual void operator()(const Field &src, Field &guess) { guess = Zero(); };
 };
 template<class Field>
 class DoNothingGuesser: public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
   virtual void operator()(const Field &src, Field &guess) {  };
 };
 template<class Field>
 class SourceGuesser: public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
   virtual void operator()(const Field &src, Field &guess) { guess = src; };
 };
 
@@ -54,15 +57,24 @@ 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();
     for (int i=0;i<N;i++) {
       const Field& tmp = evec[i];
       axpy(guess,TensorRemove(innerProduct(tmp,src)) / eval[i],tmp,guess);
@@ -79,6 +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)
@@ -100,7 +113,43 @@ public:
     blockPromote(guess_coarse,guess,subspace);
     guess.Checkerboard() = src.Checkerboard();
   };
-};
+
+  void operator()(const std::vector<FineField> &src,std::vector<FineField> &guess) {
+    int Nevec = (int)evec_coarse.size();
+    int Nsrc = (int)src.size();
+    // make temp variables
+    std::vector<CoarseField> src_coarse(Nsrc,evec_coarse[0].Grid());
+    std::vector<CoarseField> guess_coarse(Nsrc,evec_coarse[0].Grid());    
+    //Preporcessing
+    std::cout << GridLogMessage << "Start BlockProject for loop" << std::endl;
+    for (int j=0;j<Nsrc;j++)
+    {
+    guess_coarse[j] = Zero();
+    std::cout << GridLogMessage << "BlockProject iter: " << j << std::endl;
+    blockProject(src_coarse[j],src[j],subspace);
+    }
+    //deflation set up for eigen vector batchsize 1 and source batch size equal number of sources
+    std::cout << GridLogMessage << "Start ProjectAccum for loop" << std::endl;
+    for (int i=0;i<Nevec;i++)
+    {
+      std::cout << GridLogMessage << "ProjectAccum Nvec: " << i << std::endl;
+      const CoarseField & tmp = evec_coarse[i];
+      for (int j=0;j<Nsrc;j++)
+      {
+        axpy(guess_coarse[j],TensorRemove(innerProduct(tmp,src_coarse[j])) / eval_coarse[i],tmp,guess_coarse[j]);
+      }
+    }
+    //postprocessing
+    std::cout << GridLogMessage << "Start BlockPromote for loop" << std::endl;
+    for (int j=0;j<Nsrc;j++)
+    {
+    std::cout << GridLogMessage << "BlockProject iter: " << j << std::endl;
+    blockPromote(guess_coarse[j],guess[j],subspace);
+    guess[j].Checkerboard() = src[j].Checkerboard();
+    }
+  };
+
+  };
 
 
 

Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h

@@ -37,139 +37,6 @@ Author: Christoph Lehner <clehner@bnl.gov>
 
 NAMESPACE_BEGIN(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 decltype(basis[0].View()) View;
-  auto tmp_v = basis[0].View();
-  std::vector<View> basis_v(basis.size(),tmp_v);
-  typedef typename Field::vector_object vobj;
-  GridBase* grid = basis[0].Grid();
-      
-  for(int k=0;k<basis.size();k++){
-    basis_v[k] = basis[k].View();
-  }
-
-  thread_region
-  {
-    std::vector < vobj , commAllocator<vobj> > B(Nm); // Thread private
-    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];
-      }
-    });
-  }
-}
-
-// 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();
-  auto result_v=result.View();
-  thread_for(ss, grid->oSites(),{
-    vobj B = Zero();
-    for(int k=k0; k<k1; ++k){
-      auto basis_k = basis[k].View();
-      B +=Qt(j,k) * basis_k[ss];
-    }
-    result_v[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);
-
-      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);
-  }
-}
-
 /////////////////////////////////////////////////////////////
 // Implicitly restarted lanczos
 /////////////////////////////////////////////////////////////
@@ -279,7 +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),
@@ -295,7 +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),
@@ -344,7 +211,7 @@ until convergence
     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;
@@ -369,14 +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;
@@ -549,14 +419,15 @@ until convergence
 	}
       }
 
-      if ( Nconv < Nstop )
+      if ( Nconv < Nstop ) {
 	std::cout << GridLogIRL << "Nconv ("<<Nconv<<") < Nstop ("<<Nstop<<")"<<std::endl;
-
+	std::cout << GridLogIRL << "returning Nstop vectors, the last "<< Nstop-Nconv << "of which might meet convergence criterion only approximately" <<std::endl;
+      }
       eval=eval2;
       
       //Keep only converged
-      eval.resize(Nconv);// Nstop?
-      evec.resize(Nconv,grid);// Nstop?
+      eval.resize(Nstop);// was Nconv
+      evec.resize(Nstop,grid);// was Nconv
       basisSortInPlace(evec,eval,reverse);
       
     }
@@ -574,11 +445,11 @@ 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,
@@ -586,6 +457,7 @@ 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 );
 
@@ -597,20 +469,20 @@ 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;
@@ -618,6 +490,8 @@ 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, 

Grid/algorithms/iterative/LocalCoherenceLanczos.h

@@ -44,6 +44,7 @@ public:
 				  int, MinRes);    // Must restart
 };
 
+//This class is the input parameter class for some testing programs
 struct LocalCoherenceLanczosParams : Serializable {
 public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(LocalCoherenceLanczosParams,
@@ -67,6 +68,7 @@ public:
 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
@@ -97,6 +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
@@ -143,16 +146,24 @@ public:
   LinearOperatorBase<FineField> &_Linop;
   RealD                             _coarse_relax_tol;
   std::vector<FineField>        &_subspace;
+
+  int _largestEvalIdxForReport; //The convergence of the LCL is based on the evals of the coarse grid operator, not those of the underlying fine grid operator
+                                //As a result we do not know what the eval range of the fine operator is until the very end, making tuning the Cheby bounds very difficult
+                                //To work around this issue, every restart we separately reconstruct the fine operator eval for the lowest and highest evec and print these
+                                //out alongside the evals of the coarse operator. To do so we need to know the index of the largest eval (i.e. Nstop-1)
+                                //NOTE: If largestEvalIdxForReport=-1 (default) then this is not performed
   
   ImplicitlyRestartedLanczosSmoothedTester(LinearFunction<CoarseField>   &Poly,
 					   OperatorFunction<FineField>   &smoother,
 					   LinearOperatorBase<FineField> &Linop,
 					   std::vector<FineField>        &subspace,
-					   RealD coarse_relax_tol=5.0e3) 
+					   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);
@@ -175,12 +186,26 @@ public:
 	     <<" |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)  
   {
+    evalMaxApprox = 1.0; //cf above
     GridBase *FineGrid = _subspace[0].Grid();    
     int checkerboard   = _subspace[0].Checkerboard();
     FineField fB(FineGrid);fB.Checkerboard() =checkerboard;
@@ -199,13 +224,13 @@ public:
     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;
   }
@@ -283,6 +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;
@@ -326,6 +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);
@@ -374,25 +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);
@@ -403,6 +440,14 @@ 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);

Grid/algorithms/iterative/NormalEquations.h

@@ -33,26 +33,78 @@ NAMESPACE_BEGIN(Grid);
 ///////////////////////////////////////////////////////////////////////////////////////////////////////
 // Take a matrix and form an NE solver calling a Herm solver
 ///////////////////////////////////////////////////////////////////////////////////////////////////////
-template<class Field> class NormalEquations : public OperatorFunction<Field>{
+template<class Field> class NormalEquations {
 private:
   SparseMatrixBase<Field> & _Matrix;
   OperatorFunction<Field> & _HermitianSolver;
-
+  LinearFunction<Field>   & _Guess;
 public:
 
   /////////////////////////////////////////////////////
   // Wrap the usual normal equations trick
   /////////////////////////////////////////////////////
-  NormalEquations(SparseMatrixBase<Field> &Matrix, OperatorFunction<Field> &HermitianSolver) 
-    :  _Matrix(Matrix), _HermitianSolver(HermitianSolver) {}; 
+ NormalEquations(SparseMatrixBase<Field> &Matrix, OperatorFunction<Field> &HermitianSolver,
+		 LinearFunction<Field> &Guess) 
+   :  _Matrix(Matrix), _HermitianSolver(HermitianSolver), _Guess(Guess) {}; 
 
   void operator() (const Field &in, Field &out){
  
     Field src(in.Grid());
+    Field tmp(in.Grid());
 
+    MdagMLinearOperator<SparseMatrixBase<Field>,Field> MdagMOp(_Matrix);
     _Matrix.Mdag(in,src);
-    _HermitianSolver(src,out);  // Mdag M out = Mdag in
+    _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
+
   }     
 };
 

Grid/algorithms/iterative/PowerMethod.h

@@ -29,13 +29,15 @@ template<class Field> class PowerMethod
       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) < 0.01) || (i==_MAX_ITER_EST_-1) ) { 
+      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; 
-      std::cout << GridLogMessage << " Approximation of largest eigenvalue: " << evalMaxApprox << std::endl;
       src_n = tmp;
     }
     assert(0);

Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h

@@ -38,34 +38,41 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 ///////////////////////////////////////////////////////////////////////////////////////////////////////
 NAMESPACE_BEGIN(Grid);
 
-template<class Field>
-class PrecGeneralisedConjugateResidual : public OperatorFunction<Field> {
-public:                                                
-  using OperatorFunction<Field>::operator();
+#define GCRLogLevel std::cout << GridLogMessage <<std::string(level,'\t')<< " Level "<<level<<" " 
 
+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;
 
-  LinearFunction<Field> &Preconditioner;
+  LinearFunction<Field>     &Preconditioner;
+  LinearOperatorBase<Field> &Linop;
 
-  PrecGeneralisedConjugateResidual(RealD tol,Integer maxit,LinearFunction<Field> &Prec,int _mmax,int _nstep) : 
+  void Level(int lv) { level=lv; };
+
+  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() (LinearOperatorBase<Field> &Linop,const Field &src, Field &psi){
+  void operator() (const Field &src, Field &psi){
 
     psi=Zero();
     RealD cp, ssq,rsq;
@@ -84,9 +91,9 @@ public:
     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) {
 
@@ -95,24 +102,26 @@ public:
 	Linop.HermOp(psi,r);
 	axpy(r,-1.0,src,r);
 	RealD tr = norm2(r);
-	std::cout<<GridLogMessage<<"PrecGeneralisedConjugateResidual: Converged on iteration " <<steps
+	GCRLogLevel<<"PGCR: 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;
+	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;
@@ -134,6 +143,7 @@ public:
     std::vector<Field> p(mmax,grid);
     std::vector<RealD> qq(mmax);
       
+    GCRLogLevel<< "PGCR nStep("<<nstep<<")"<<std::endl;
 
     //////////////////////////////////
     // initial guess x0 is taken as nonzero.
@@ -143,38 +153,26 @@ public:
     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.HermOp(z,tmp); 
-    MatTimer.Stop();
-
-    LinalgTimer.Start();
-    ttmp=tmp;
-    tmp=tmp-r;
-    LinalgTimer.Stop();
-
-    /*
-      std::cout<<GridLogMessage<<r<<std::endl;
-      std::cout<<GridLogMessage<<z<<std::endl;
-      std::cout<<GridLogMessage<<ttmp<<std::endl;
-      std::cout<<GridLogMessage<<tmp<<std::endl;
-    */
-
     MatTimer.Start();
     Linop.HermOpAndNorm(z,Az,zAz,zAAz); 
     MatTimer.Stop();
 
     LinalgTimer.Start();
+
     //p[0],q[0],qq[0] 
     p[0]= z;
     q[0]= Az;
@@ -200,11 +198,12 @@ public:
       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;
       }
 
-      std::cout<<GridLogMessage<< " VPGCR_step["<<steps<<"]  resid " <<sqrt(cp/rsq)<<std::endl; 
 
       PrecTimer.Start();
       Preconditioner(r,z);// solve Az = r
@@ -212,12 +211,9 @@ public:
 
       MatTimer.Start();
       Linop.HermOpAndNorm(z,Az,zAz,zAAz);
-      Linop.HermOp(z,tmp);
       MatTimer.Stop();
 
       LinalgTimer.Start();
-      tmp=tmp-r;
-      std::cout<<GridLogMessage<< " Preconditioner resid " <<sqrt(norm2(tmp)/norm2(r))<<std::endl; 
 
       q[peri_kp]=Az;
       p[peri_kp]=z;

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

@@ -132,6 +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) 
     {
@@ -150,24 +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++){
-        if(useSolnAsInitGuess) {
+      
+      if(useSolnAsInitGuess) {
+        for(int b=0;b<nblock;b++){
           pickCheckerboard(Odd, sol_o[b], out[b]);
-        } else {
-          guess(src_o[b],sol_o[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
@@ -405,6 +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
@@ -482,5 +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

@@ -26,114 +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_ALIGNED_ALLOCATOR_H
-#define GRID_ALIGNED_ALLOCATOR_H
-
-#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
-
-#define POINTER_CACHE
-#define GRID_ALLOC_ALIGN (2*1024*1024)
+#pragma once
 
 NAMESPACE_BEGIN(Grid);
 
-// Move control to configure.ac and Config.h?
-#ifdef POINTER_CACHE
-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) ;
-
-};
-#endif  
-
-std::string sizeString(size_t bytes);
-
-struct MemoryStats
-{
-  size_t totalAllocated{0}, maxAllocated{0}, 
-    currentlyAllocated{0}, totalFreed{0};
-};
-    
-class MemoryProfiler
-{
-public:
-  static MemoryStats *stats;
-  static bool        debug;
-};
-
-#define memString(bytes) std::to_string(bytes) + " (" + sizeString(bytes) + ")"
-#define profilerDebugPrint						\
-  if (MemoryProfiler::stats)						\
-    {									\
-      auto s = MemoryProfiler::stats;					\
-      std::cout << GridLogDebug << "[Memory debug] Stats " << MemoryProfiler::stats << std::endl; \
-      std::cout << GridLogDebug << "[Memory debug] total  : " << memString(s->totalAllocated) \
-		<< std::endl;						\
-      std::cout << GridLogDebug << "[Memory debug] max    : " << memString(s->maxAllocated) \
-		<< std::endl;						\
-      std::cout << GridLogDebug << "[Memory debug] current: " << memString(s->currentlyAllocated) \
-		<< std::endl;						\
-      std::cout << GridLogDebug << "[Memory debug] freed  : " << memString(s->totalFreed) \
-		<< std::endl;						\
-    }
-
-#define profilerAllocate(bytes)						\
-  if (MemoryProfiler::stats)						\
-    {									\
-      auto s = MemoryProfiler::stats;					\
-      s->totalAllocated     += (bytes);					\
-      s->currentlyAllocated += (bytes);					\
-      s->maxAllocated        = std::max(s->maxAllocated, s->currentlyAllocated); \
-    }									\
-  if (MemoryProfiler::debug)						\
-    {									\
-      std::cout << GridLogDebug << "[Memory debug] allocating " << memString(bytes) << std::endl; \
-      profilerDebugPrint;						\
-    }
-
-#define profilerFree(bytes)						\
-  if (MemoryProfiler::stats)						\
-    {									\
-      auto s = MemoryProfiler::stats;					\
-      s->totalFreed         += (bytes);					\
-      s->currentlyAllocated -= (bytes);					\
-    }									\
-  if (MemoryProfiler::debug)						\
-    {									\
-      std::cout << GridLogDebug << "[Memory debug] freeing " << memString(bytes) << std::endl; \
-      profilerDebugPrint;						\
-    }
-
-void check_huge_pages(void *Buf,uint64_t BYTES);
-
-////////////////////////////////////////////////////////////////////
-// A lattice of something, but assume the something is SIMDized.
-////////////////////////////////////////////////////////////////////
-
 template<typename _Tp>
 class alignedAllocator {
 public: 
@@ -157,88 +53,131 @@ public:
   { 
     size_type bytes = __n*sizeof(_Tp);
     profilerAllocate(bytes);
-
-
-#ifdef POINTER_CACHE
-    _Tp *ptr = (_Tp *) PointerCache::Lookup(bytes);
-#else
-    pointer ptr = nullptr;
-#endif
-
-#ifdef GRID_NVCC
-    ////////////////////////////////////
-    // Unified (managed) memory
-    ////////////////////////////////////
-    if ( ptr == (_Tp *) NULL ) {
-      auto err = cudaMallocManaged((void **)&ptr,bytes);
-      if( err != cudaSuccess ) {
-	ptr = (_Tp *) NULL;
-	std::cerr << " cudaMallocManaged failed for " << bytes<<" bytes " <<cudaGetErrorString(err)<< std::endl;
-	assert(0);
-      }
-    }
-    assert( ptr != (_Tp *)NULL);
-#else 
-    //////////////////////////////////////////////////////////////////////////////////////////
-    // 2MB align; could make option probably doesn't need configurability
-    //////////////////////////////////////////////////////////////////////////////////////////
-  #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
-    assert( ptr != (_Tp *)NULL);
-
-    //////////////////////////////////////////////////
-    // First touch optimise in threaded loop 
-    //////////////////////////////////////////////////
-    uint64_t *cp = (uint64_t *)ptr;
-    thread_for(n,bytes/sizeof(uint64_t), { // need only one touch per page
-      cp[n]=0;
-    });
-#endif
+    _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);
-
-#ifdef POINTER_CACHE
-    pointer __freeme = (pointer)PointerCache::Insert((void *)__p,bytes);
-#else 
-    pointer __freeme = __p;
-#endif
-
-#ifdef GRID_NVCC
-    if ( __freeme ) cudaFree((void *)__freeme);
-#else 
-  #ifdef HAVE_MM_MALLOC_H
-    if ( __freeme ) _mm_free((void *)__freeme); 
-  #else
-    if ( __freeme ) free((void *)__freeme);
-  #endif
-#endif
+    MemoryManager::CpuFree((void *)__p,bytes);
   }
 
-  // FIXME: hack for the copy constructor, eventually it must be avoided
-  void construct(pointer __p, const _Tp& __val) { new((void *)__p) _Tp(__val); };
-  //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; }
 
+//////////////////////////////////////////////////////////////////////////////////////
+// Unified virtual memory
+//////////////////////////////////////////////////////////////////////////////////////
+template<typename _Tp>
+class uvmAllocator {
+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 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); }
+
+  pointer allocate(size_type __n, const void* _p= 0)
+  { 
+    size_type bytes = __n*sizeof(_Tp);
+    profilerAllocate(bytes);
+    _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);
+    profilerFree(bytes);
+    MemoryManager::SharedFree((void *)__p,bytes);
+  }
+
+  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);
+    _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);
+    profilerFree(bytes);
+    MemoryManager::AcceleratorFree((void *)__p,bytes);
+  }
+  void construct(pointer __p, const _Tp& __val) { };
+  void construct(pointer __p) { };
+  void destroy(pointer __p) { };
+};
+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 commAllocator = alignedAllocator<T>;
-template<class T> using Vector     = std::vector<T,alignedAllocator<T> >;           
-template<class T> using commVector = std::vector<T,alignedAllocator<T> >;
-template<class T> using Matrix     = std::vector<std::vector<T,alignedAllocator<T> > >;
+#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);
 
-#endif
+

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

@@ -6,66 +6,6 @@ NAMESPACE_BEGIN(Grid);
 MemoryStats *MemoryProfiler::stats = nullptr;
 bool         MemoryProfiler::debug = false;
 
-#ifdef POINTER_CACHE
-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 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;
-      return Entries[e].address;
-    }
-  }
-  return NULL;
-}
-#endif
-
 void check_huge_pages(void *Buf,uint64_t BYTES)
 {
 #ifdef __linux__

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_base.h

@@ -47,20 +47,19 @@ public:
   // Give Lattice access
   template<class object> friend class Lattice;
 
-  GridBase(const Coordinate & processor_grid) : CartesianCommunicator(processor_grid) {}; 
+  GridBase(const Coordinate & processor_grid) : CartesianCommunicator(processor_grid) { LocallyPeriodic=0;}; 
 
   GridBase(const Coordinate & processor_grid,
 	   const CartesianCommunicator &parent,
 	   int &split_rank) 
-    : CartesianCommunicator(processor_grid,parent,split_rank) {};
+    : CartesianCommunicator(processor_grid,parent,split_rank) {LocallyPeriodic=0;};
 
   GridBase(const Coordinate & processor_grid,
 	   const CartesianCommunicator &parent) 
-    : CartesianCommunicator(processor_grid,parent,dummy) {};
+    : CartesianCommunicator(processor_grid,parent,dummy) {LocallyPeriodic=0;};
 
   virtual ~GridBase() = default;
 
-
   // 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
@@ -80,7 +79,9 @@ public:
   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; 
+  bool _isCheckerBoarded; 
+  int        LocallyPeriodic;
+  Coordinate _checker_dim_mask;
 
 public:
 

Grid/cartesian/Cartesian_full.h

@@ -38,6 +38,7 @@ class GridCartesian: public GridBase {
 
 public:
   int dummy;
+  Coordinate _checker_dim_mask;
   virtual int  CheckerBoardFromOindexTable (int Oindex) {
     return 0;
   }
@@ -104,6 +105,7 @@ public:
     _ldimensions.resize(_ndimension);
     _rdimensions.resize(_ndimension);
     _simd_layout.resize(_ndimension);
+    _checker_dim_mask.resize(_ndimension);;
     _lstart.resize(_ndimension);
     _lend.resize(_ndimension);
 
@@ -114,6 +116,8 @@ public:
 
     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];

Grid/cartesian/Cartesian_red_black.h

@@ -35,12 +35,28 @@ 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);
+}
+
     
 // Specialise this for red black grids storing half the data like a chess board.
 class GridRedBlackCartesian : public GridBase
 {
 public:
-  Coordinate _checker_dim_mask;
+  //  Coordinate _checker_dim_mask;
   int              _checker_dim;
   std::vector<int> _checker_board;
 

Grid/communicator/Communicator_base.cc

@@ -33,6 +33,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 NAMESPACE_BEGIN(Grid);
 
+bool Stencil_force_mpi = true;
+
 ///////////////////////////////////////////////////////////////
 // Info that is setup once and indept of cartesian layout
 ///////////////////////////////////////////////////////////////

Grid/communicator/Communicator_base.h

@@ -1,4 +1,3 @@
-
 /*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
@@ -36,6 +35,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 NAMESPACE_BEGIN(Grid);
 
+extern bool Stencil_force_mpi ;
+
 class CartesianCommunicator : public SharedMemory {
 
 public:    
@@ -52,10 +53,11 @@ public:
   // Communicator should know nothing of the physics grid, only processor grid.
   ////////////////////////////////////////////
   int              _Nprocessors;     // How many in all
-  Coordinate _processors;      // Which dimensions get relayed out over processors lanes.
   int              _processor;       // linear processor rank
-  Coordinate _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;
@@ -96,24 +98,29 @@ public:
   int                      BossRank(void)          ;
   int                      ThisRank(void)          ;
   const Coordinate & ThisProcessorCoor(void) ;
+  const Coordinate & ShmGrid(void)  { return _shm_processors; }  ;
   const Coordinate & ProcessorGrid(void)     ;
-  int                      ProcessorCount(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);

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
 
@@ -35,7 +35,7 @@ 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;
@@ -43,8 +43,16 @@ void CartesianCommunicator::Init(int *argc, char ***argv)
 
   MPI_Initialized(&flag); // needed to coexist with other libs apparently
   if ( !flag ) {
-    MPI_Init_thread(argc,argv,MPI_THREAD_MULTIPLE,&provided);
 
+#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) ) {
       assert(0);
@@ -91,14 +99,14 @@ void  CartesianCommunicator::ProcessorCoorFromRank(int rank, Coordinate &coor)
 ////////////////////////////////////////////////////////////////////////////////////////////////////////
 // Initialises from communicator_world
 ////////////////////////////////////////////////////////////////////////////////////////////////////////
-CartesianCommunicator::CartesianCommunicator(const Coordinate &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);
   ///////////////////////////////////////////////////
@@ -110,24 +118,25 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors)
 //////////////////////////////////
 // Try to subdivide communicator
 //////////////////////////////////
-CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const CartesianCommunicator &parent,int &srank)    
+CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const CartesianCommunicator &parent,int &srank)
 {
   _ndimension = processors.size();  assert(_ndimension>=1);
   int parent_ndimension = parent._ndimension; assert(_ndimension >= parent._ndimension);
   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);
 
@@ -146,16 +155,17 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const
     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 ( Nchild > 1 ) {
 
     ////////////////////////////////////////////////////////////////
     // Split the communicator
@@ -180,11 +190,11 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const
   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;
@@ -245,7 +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);
@@ -255,6 +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);
@@ -263,6 +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);
@@ -290,80 +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;
@@ -378,36 +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();
 
@@ -418,6 +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);
@@ -432,11 +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,
@@ -466,7 +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;
@@ -479,5 +481,3 @@ void CartesianCommunicator::AllToAll(void  *in,void *out,uint64_t words,uint64_t
 }
 
 NAMESPACE_END(Grid);
-
-

Grid/communicator/Communicator_none.cc

@@ -45,12 +45,14 @@ void CartesianCommunicator::Init(int *argc, char *** arv)
 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 Coordinate &processors)
 {
+  _shm_processors = Coordinate(processors.size(),1);
   _processors = processors;
   _ndimension = processors.size();  assert(_ndimension>=1);
   _processor_coor.resize(_ndimension);
@@ -67,24 +69,18 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &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);
@@ -122,6 +104,7 @@ 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) { }
+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)
@@ -131,31 +114,24 @@ 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){};

Grid/communicator/SharedMemory.cc

@@ -74,7 +74,9 @@ 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;
@@ -89,6 +91,59 @@ 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

@@ -41,9 +41,6 @@ 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_BEGIN(Grid);
 
@@ -96,15 +93,17 @@ public:
   // 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 Coordinate &processors,Grid_MPI_Comm & optimal_comm);  // Turns MPI_COMM_WORLD into right layout for Cartesian
-  static void OptimalCommunicatorHypercube   (const Coordinate &processors,Grid_MPI_Comm & optimal_comm);  // Turns MPI_COMM_WORLD into right layout for Cartesian
-  static void OptimalCommunicatorSharedMemory(const Coordinate &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,const void *src,size_t bytes);
+  static void SharedMemoryCopy(void *dest,void *src,size_t bytes);
   static void SharedMemoryZero(void *dest,size_t bytes);
 
 };

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
@@ -26,15 +27,131 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 *************************************************************************************/
 /*  END LEGAL */
 
+#define Mheader "SharedMemoryMpi: "
+
 #include <Grid/GridCore.h>
 #include <pwd.h>
 
-#ifdef GRID_NVCC
+#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
+#include <syscall.h>
+#define SHM_SOCKETS 
+#endif
+
+#include <sys/socket.h>
+#include <sys/un.h>
 
 NAMESPACE_BEGIN(Grid); 
-#define header "SharedMemoryMpi: "
+
+#ifdef SHM_SOCKETS
+
+/*
+ * Barbaric extra intranode communication route in case we need sockets to pass FDs
+ * Forced by level_zero not being nicely designed
+ */
+static int sock;
+static const char *sock_path_fmt = "/tmp/GridUnixSocket.%d";
+static char sock_path[256];
+class UnixSockets {
+public:
+  static void Open(int rank)
+  {
+    int errnum;
+
+    sock = socket(AF_UNIX, SOCK_DGRAM, 0);  assert(sock>0);
+
+    struct sockaddr_un sa_un = { 0 };
+    sa_un.sun_family = AF_UNIX;
+    snprintf(sa_un.sun_path, sizeof(sa_un.sun_path),sock_path_fmt,rank);
+    unlink(sa_un.sun_path);
+    if (bind(sock, (struct sockaddr *)&sa_un, sizeof(sa_un))) {
+      perror("bind failure");
+      exit(EXIT_FAILURE);
+    }
+  }
+
+  static int RecvFileDescriptor(void)
+  {
+    int n;
+    int fd;
+    char buf[1];
+    struct iovec iov;
+    struct msghdr msg;
+    struct cmsghdr *cmsg;
+    char cms[CMSG_SPACE(sizeof(int))];
+
+    iov.iov_base = buf;
+    iov.iov_len = 1;
+
+    memset(&msg, 0, sizeof msg);
+    msg.msg_name = 0;
+    msg.msg_namelen = 0;
+    msg.msg_iov = &iov;
+    msg.msg_iovlen = 1;
+
+    msg.msg_control = (caddr_t)cms;
+    msg.msg_controllen = sizeof cms;
+
+    if((n=recvmsg(sock, &msg, 0)) < 0) {
+      perror("recvmsg failed");
+      return -1;
+    }
+    if(n == 0){
+      perror("recvmsg returned 0");
+      return -1;
+    }
+    cmsg = CMSG_FIRSTHDR(&msg);
+
+    memmove(&fd, CMSG_DATA(cmsg), sizeof(int));
+
+    return fd;
+  }
+
+  static void SendFileDescriptor(int fildes,int xmit_to_rank)
+  {
+    struct msghdr msg;
+    struct iovec iov;
+    struct cmsghdr *cmsg = NULL;
+    char ctrl[CMSG_SPACE(sizeof(int))];
+    char data = ' ';
+
+    memset(&msg, 0, sizeof(struct msghdr));
+    memset(ctrl, 0, CMSG_SPACE(sizeof(int)));
+    iov.iov_base = &data;
+    iov.iov_len = sizeof(data);
+    
+    sprintf(sock_path,sock_path_fmt,xmit_to_rank);
+    
+    struct sockaddr_un sa_un = { 0 };
+    sa_un.sun_family = AF_UNIX;
+    snprintf(sa_un.sun_path, sizeof(sa_un.sun_path),sock_path_fmt,xmit_to_rank);
+
+    msg.msg_name = (void *)&sa_un;
+    msg.msg_namelen = sizeof(sa_un);
+    msg.msg_iov = &iov;
+    msg.msg_iovlen = 1;
+    msg.msg_controllen =  CMSG_SPACE(sizeof(int));
+    msg.msg_control = ctrl;
+
+    cmsg = CMSG_FIRSTHDR(&msg);
+    cmsg->cmsg_level = SOL_SOCKET;
+    cmsg->cmsg_type = SCM_RIGHTS;
+    cmsg->cmsg_len = CMSG_LEN(sizeof(int));
+
+    *((int *) CMSG_DATA(cmsg)) = fildes;
+
+    sendmsg(sock, &msg, 0);
+  };
+};
+#endif
+
+
 /*Construct from an MPI communicator*/
 void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
 {
@@ -47,13 +164,18 @@ 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;
+    std::cout << Mheader " World communicator of size " <<WorldSize << std::endl;  
+    std::cout << Mheader " Node  communicator of size " <<WorldShmSize << std::endl;
   }
   // WorldShmComm, WorldShmSize, WorldShmRank
 
@@ -61,6 +183,7 @@ void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
   WorldNodes = WorldSize/WorldShmSize;
   assert( (WorldNodes * WorldShmSize) == WorldSize );
 
+
   // FIXME: Check all WorldShmSize are the same ?
 
   /////////////////////////////////////////////////////////////////////
@@ -139,7 +262,7 @@ int Log2Size(int TwoToPower,int MAXLOG2)
   }
   return log2size;
 }
-void GlobalSharedMemory::OptimalCommunicator(const Coordinate &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
@@ -152,10 +275,11 @@ void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_M
   gethostname(name,namelen);
   int nscan = sscanf(name,"r%di%dn%d",&R,&I,&N) ;
 
-  if(nscan==3 && HPEhypercube ) OptimalCommunicatorHypercube(processors,optimal_comm);
-  else                          OptimalCommunicatorSharedMemory(processors,optimal_comm);
+  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)
+
+void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
   ////////////////////////////////////////////////////////////////
   // Assert power of two shm_size.
@@ -221,18 +345,15 @@ void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processo
   // in a maximally symmetrical way
   ////////////////////////////////////////////////////////////////
   int ndimension              = processors.size();
-  std::vector<int> processor_coor(ndimension);
-  std::vector<int> WorldDims = processors.toVector();
-  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
   ////////////////////////////////////////////////////////////////
@@ -279,28 +400,19 @@ void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processo
   int ierr= MPI_Comm_split(WorldComm,0,rank,&optimal_comm);
   assert(ierr==0);
 }
-void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm)
+void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
-  ////////////////////////////////////////////////////////////////
-  // Assert power of two shm_size.
-  ////////////////////////////////////////////////////////////////
-  int log2size = Log2Size(WorldShmSize,MAXLOG2RANKSPERNODE);
-  assert(log2size != -1);
-
   ////////////////////////////////////////////////////////////////
   // Identify subblock of ranks on node spreading across dims
   // in a maximally symmetrical way
   ////////////////////////////////////////////////////////////////
   int ndimension              = processors.size();
   Coordinate processor_coor(ndimension);
-  Coordinate WorldDims = processors; Coordinate ShmDims(ndimension,1);  Coordinate NodeDims (ndimension);
+  Coordinate WorldDims = processors; Coordinate ShmDims(ndimension);  Coordinate NodeDims (ndimension);
   Coordinate ShmCoor(ndimension);    Coordinate NodeCoor(ndimension);   Coordinate 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;
-  }
+
+  GetShmDims(WorldDims,ShmDims);
+  SHM=ShmDims;
 
   ////////////////////////////////////////////////////////////////
   // Establish torus of processes and nodes with sub-blockings
@@ -340,7 +452,7 @@ void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &proce
 #ifdef GRID_MPI3_SHMGET
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << header "SharedMemoryAllocate "<< bytes<< " shmget implementation "<<std::endl;
+  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " shmget implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
 
@@ -399,7 +511,47 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 ////////////////////////////////////////////////////////////////////////////////////////////
 // Hugetlbfs mapping intended
 ////////////////////////////////////////////////////////////////////////////////////////////
-#ifdef GRID_NVCC
+#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 << Mheader " 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 ; 
@@ -418,45 +570,92 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
   // e.g. DGX1, supermicro board, 
   //////////////////////////////////////////////////////////////////////////////////////////////////////////
   //  cudaDeviceGetP2PAttribute(&perfRank, cudaDevP2PAttrPerformanceRank, device1, device2);
-  cudaSetDevice(WorldShmRank);
+
   ///////////////////////////////////////////////////////////////////////////////////////////////////////////
   // Each MPI rank should allocate our own buffer
   ///////////////////////////////////////////////////////////////////////////////////////////////////////////
-  auto err =  cudaMalloc(&ShmCommBuf, bytes);
-  if ( err !=  cudaSuccess) {
-    std::cerr << " SharedMemoryMPI.cc cudaMallocManaged failed for " << bytes<<" bytes " <<cudaGetErrorString(err)<< std::endl;
-    exit(EXIT_FAILURE);  
-  }
+  ShmCommBuf = acceleratorAllocDevice(bytes);
   if (ShmCommBuf == (void *)NULL ) {
-    std::cerr << " SharedMemoryMPI.cc cudaMallocManaged failed NULL pointer for " << bytes<<" bytes " << std::endl;
+    std::cerr << " SharedMemoryMPI.cc acceleratorAllocDevice failed NULL pointer for " << bytes<<" bytes " << std::endl;
     exit(EXIT_FAILURE);  
   }
   if ( WorldRank == 0 ){
-    std::cout << header " SharedMemoryMPI.cc cudaMalloc "<< bytes << "bytes at "<< std::hex<< ShmCommBuf <<std::dec<<" for comms buffers " <<std::endl;
+    std::cout << WorldRank << Mheader " 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
   ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+#ifdef SHM_SOCKETS
+  UnixSockets::Open(WorldShmRank);
+#endif
   for(int r=0;r<WorldShmSize;r++){
-    
+
+    MPI_Barrier(WorldShmComm);
+
+#ifndef GRID_MPI3_SHM_NONE
     //////////////////////////////////////////////////
     // If it is me, pass around the IPC access key
     //////////////////////////////////////////////////
-    cudaIpcMemHandle_t handle;
+    void * thisBuf = ShmCommBuf;
+    if(!Stencil_force_mpi) {
+#ifdef GRID_SYCL_LEVEL_ZERO_IPC
+    typedef struct { int fd; pid_t pid ; ze_ipc_mem_handle_t ze; } clone_mem_t;
 
+    auto zeDevice    = cl::sycl::get_native<cl::sycl::backend::ext_oneapi_level_zero>(theGridAccelerator->get_device());
+    auto zeContext   = cl::sycl::get_native<cl::sycl::backend::ext_oneapi_level_zero>(theGridAccelerator->get_context());
+      
+    ze_ipc_mem_handle_t ihandle;
+    clone_mem_t handle;
+    
     if ( r==WorldShmRank ) { 
-      err = cudaIpcGetMemHandle(&handle,ShmCommBuf);
+      auto err = zeMemGetIpcHandle(zeContext,ShmCommBuf,&ihandle);
+      if ( err != ZE_RESULT_SUCCESS ) {
+	std::cerr << "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();
+      memcpy((void *)&handle.ze,(void *)&ihandle,sizeof(ihandle));
+#ifdef SHM_SOCKETS
+      for(int rr=0;rr<WorldShmSize;rr++){
+	if(rr!=r){
+	  UnixSockets::SendFileDescriptor(handle.fd,rr);
+	}
+      }
+#endif
+    }
+#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
     //////////////////////////////////////////////////
     { 
+      MPI_Barrier(WorldShmComm);
       int ierr=MPI_Bcast(&handle,
 			 sizeof(handle),
 			 MPI_BYTE,
@@ -468,28 +667,84 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     ///////////////////////////////////////////////////////////////
     // If I am not the source, overwrite thisBuf with remote buffer
     ///////////////////////////////////////////////////////////////
-    void * thisBuf = ShmCommBuf;
+
+#ifdef GRID_SYCL_LEVEL_ZERO_IPC
+    if ( r!=WorldShmRank ) {
+      thisBuf = nullptr;
+      int myfd;
+#ifdef SHM_SOCKETS
+      myfd=UnixSockets::RecvFileDescriptor();
+#else
+      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);
+      myfd  = syscall(438,pidfd,handle.fd,0);
+      int err_t = errno;
+      if (myfd < 0) {
+        fprintf(stderr,"pidfd_getfd returned %d errno was %d\n", myfd,err_t); fflush(stderr);
+	perror("pidfd_getfd failed ");
+	assert(0);
+      }
+#endif
+      std::cout<<"Using IpcHandle mapped remote pid "<<handle.pid <<" FD "<<handle.fd <<" to myfd "<<myfd<<"\n";
+      memcpy((void *)&ihandle,(void *)&handle.ze,sizeof(ihandle));
+      memcpy((void *)&ihandle,(void *)&myfd,sizeof(int));
+
+      auto err = zeMemOpenIpcHandle(zeContext,zeDevice,ihandle,0,&thisBuf);
+      if ( err != ZE_RESULT_SUCCESS ) {
+	std::cerr << "SharedMemoryMPI.cc "<<zeContext<<" "<<zeDevice<<std::endl;
+	std::cerr << "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 ) { 
-      err = cudaIpcOpenMemHandle(&thisBuf,handle,cudaIpcMemLazyEnablePeerAccess);
+      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
+    MPI_Barrier(WorldShmComm);
   }
 
   _ShmAllocBytes=bytes;
   _ShmAlloc=1;
 }
+#endif
+
 #else 
 #ifdef GRID_MPI3_SHMMMAP
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << header "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<< GRID_SHM_PATH <<std::endl;
+  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<< GRID_SHM_PATH <<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
   //////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -526,7 +781,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     assert(((uint64_t)ptr&0x3F)==0);
     close(fd);
     WorldShmCommBufs[r] =ptr;
-    //    std::cout << header "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
+    //    std::cout << Mheader "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
   }
   _ShmAlloc=1;
   _ShmAllocBytes  = bytes;
@@ -536,7 +791,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 #ifdef GRID_MPI3_SHM_NONE
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << header "SharedMemoryAllocate "<< bytes<< " MMAP anonymous implementation "<<std::endl;
+  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " MMAP anonymous implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
   //////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -583,7 +838,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 ////////////////////////////////////////////////////////////////////////////////////////////
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 { 
-  std::cout << header "SharedMemoryAllocate "<< bytes<< " SHMOPEN implementation "<<std::endl;
+  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " SHMOPEN implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0); 
   MPI_Barrier(WorldShmComm);
@@ -612,7 +867,6 @@ 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);    
@@ -656,16 +910,16 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 /////////////////////////////////////////////////////////////////////////
 void GlobalSharedMemory::SharedMemoryZero(void *dest,size_t bytes)
 {
-#ifdef GRID_NVCC
-  cudaMemset(dest,0,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,const void *src,size_t bytes)
+void GlobalSharedMemory::SharedMemoryCopy(void *dest,void *src,size_t bytes)
 {
-#ifdef GRID_NVCC
-  cudaMemcpy(dest,src,bytes,cudaMemcpyDefault);
+#if defined(GRID_CUDA) || defined(GRID_HIP) || defined(GRID_SYCL)
+  acceleratorCopyToDevice(src,dest,bytes);
 #else   
   bcopy(src,dest,bytes);
 #endif
@@ -684,7 +938,11 @@ 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);
@@ -714,7 +972,18 @@ 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]); 
 
-  SharedMemoryTest();
+#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

Grid/communicator/SharedMemoryNone.cc

@@ -29,6 +29,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/GridCore.h>
 
 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 Coordinate &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 ; 
@@ -83,7 +117,15 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
   _ShmAllocBytes=bytes;
   _ShmAlloc=1;
 };
-
+#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

Grid/cshift/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

@@ -29,11 +29,13 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 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];
 
@@ -46,16 +48,16 @@ Gather_plane_simple (const Lattice<vobj> &rhs,commVector<vobj> &buffer,int dimen
   int e2=rhs.Grid()->_slice_block[dimension];
   int ent = 0;
 
-  static 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];
 
-  auto rhs_v = rhs.View();
   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 { 
@@ -65,14 +67,26 @@ Gather_plane_simple (const Lattice<vobj> &rhs,commVector<vobj> &buffer,int dimen
 	 int o  = n*stride;
 	 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);
 	 }
        }
      }
   }
-  thread_for(i,ent,{
-    buffer[table[i].first]=rhs_v[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
+  }
 }
 
 ///////////////////////////////////////////////////////////////////
@@ -95,43 +109,80 @@ Gather_plane_extract(const Lattice<vobj> &rhs,
   int e2=rhs.Grid()->_slice_block[dimension];
   int n1=rhs.Grid()->_slice_stride[dimension];
 
-  auto rhs_v = rhs.View();
   if ( cbmask ==0x3){
-    thread_for_collapse(2,n,e1,{
-      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_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;
-    thread_for_collapse(2,n,e1,{
-      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_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];
 
@@ -145,7 +196,8 @@ template<class vobj> void Scatter_plane_simple (Lattice<vobj> &rhs,commVector<vo
   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);
+  if(Cshift_table.size()<e1*e2) Cshift_table.resize(e1*e2); // Let it grow to biggest
+
   int ent    =0;
 
   if ( cbmask ==0x3 ) {
@@ -154,7 +206,7 @@ template<class vobj> void Scatter_plane_simple (Lattice<vobj> &rhs,commVector<vo
       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);
+	Cshift_table[ent++] = std::pair<int,int>(so+o+b,bo+b);
       }
     }
 
@@ -165,16 +217,27 @@ template<class vobj> void Scatter_plane_simple (Lattice<vobj> &rhs,commVector<vo
 	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++);
 	}
       }
     }
   }
   
-  auto rhs_v = rhs.View();
-  thread_for(i,ent,{
-    rhs_v[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
+  }
 }
 
 //////////////////////////////////////////////////////
@@ -194,21 +257,33 @@ template<class vobj> void Scatter_plane_merge(Lattice<vobj> &rhs,ExtractPointerA
   int e2=rhs.Grid()->_slice_block[dimension];
 
   if(cbmask ==0x3 ) {
-    auto rhs_v = rhs.View();
-    thread_for_collapse(2,n,e1,{
-      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 _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;
-    auto rhs_v = rhs.View();
+    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];
@@ -222,9 +297,34 @@ template<class vobj> void Scatter_plane_merge(Lattice<vobj> &rhs,ExtractPointerA
   }
 }
 
+#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];
@@ -239,39 +339,58 @@ template<class vobj> void Copy_plane(Lattice<vobj>& lhs,const Lattice<vobj> &rhs
   int e1=rhs.Grid()->_slice_nblock[dimension]; // clearly loop invariant for icpc
   int e2=rhs.Grid()->_slice_block[dimension];
   int stride = rhs.Grid()->_slice_stride[dimension];
-  static std::vector<std::pair<int,int> > table; table.resize(e1*e2);
+
+  if(Cshift_table.size()<e1*e2) Cshift_table.resize(e1*e2); // Let it grow to biggest
+
   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);
         if ( ocb&cbmask ) {
-	  table[ent++] = std::pair<int,int>(lo+o,ro+o);
+	  Cshift_table[ent++] = std::pair<int,int>(lo+o,ro+o);
 	}
       }
     }
   }
 
-  auto rhs_v = rhs.View();
-  auto lhs_v = lhs.View();
-  thread_for(i,ent,{
-    lhs_v[table[i].first]=rhs_v[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];
 
   if ( !rhs.Grid()->CheckerBoarded(dimension) ) {
@@ -285,29 +404,49 @@ template<class vobj> void Copy_plane_permute(Lattice<vobj>& lhs,const Lattice<vo
   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);
+  if(Cshift_table.size()<e1*e2) Cshift_table.resize(e1*e2); // Let it grow to biggest
+
   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;
-      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);
+      if ( ocb&cbmask ) Cshift_table[ent++] = std::pair<int,int>(lo+o+b,ro+o+b);
     }}
   }
 
-  auto rhs_v = rhs.View();
-  auto lhs_v = lhs.View();
-  thread_for(i,ent,{
-    permute(lhs_v[table[i].first],rhs_v[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
+  }
 }
 
 //////////////////////////////////////////////////////

Grid/cshift/Cshift_mpi.h

@@ -101,7 +101,8 @@ 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;
@@ -121,9 +122,9 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
   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);
-
+  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);
 
@@ -138,7 +139,7 @@ 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);
@@ -150,12 +151,14 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
       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);
@@ -195,8 +198,15 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
   int buffer_size = grid->_slice_nblock[dimension]*grid->_slice_block[dimension];
   //  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);
 
@@ -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 { 
@@ -258,7 +461,7 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
   }
 
 }
-
+#endif
 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

@@ -26,6 +26,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     *************************************************************************************/
     /*  END LEGAL */
 #pragma once
+#include <Grid/lattice/Lattice_view.h>
 #include <Grid/lattice/Lattice_base.h>
 #include <Grid/lattice/Lattice_conformable.h>
 #include <Grid/lattice/Lattice_ET.h>
@@ -36,6 +37,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #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>
@@ -43,4 +45,5 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #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
@@ -41,13 +42,28 @@ NAMESPACE_BEGIN(Grid);
 ////////////////////////////////////////////////////
 // Predicated where support
 ////////////////////////////////////////////////////
+#ifdef GRID_SIMT
+// drop to scalar in SIMT; cleaner in fact
 template <class iobj, class vobj, class robj>
-accelerator_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();
@@ -67,6 +83,7 @@ accelerator_inline vobj predicatedWhere(const iobj &predicate, const vobj &iftru
   merge(ret, falsevals);
   return ret;
 }
+#endif
 
 /////////////////////////////////////////////////////
 //Specialization of getVectorType for lattices
@@ -80,26 +97,62 @@ struct getVectorType<Lattice<T> >{
 //--  recursive evaluation of expressions; --
 // handle leaves of syntax tree
 ///////////////////////////////////////////////////
-template<class sobj> accelerator_inline 
+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> accelerator_inline 
-const lobj & eval(const uint64_t ss, const LatticeView<lobj> &arg) 
+auto eval(const uint64_t ss, const LatticeView<lobj> &arg) -> decltype(arg(ss))
 {
-  return arg[ss];
+  return arg(ss);
+}
+
+////////////////////////////////////////////
+//--  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 & eval(const uint64_t ss, const Lattice<lobj> &arg) 
+const lobj & vecEval(const uint64_t ss, const LatticeView<lobj> &arg) 
 {
-  auto view = arg.View();
-  return view[ss];
+  return arg[ss];
 }
 
 ///////////////////////////////////////////////////
 // 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));
+}
+
+///////////////////////////////////////////////////
+// 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)  
@@ -107,23 +160,41 @@ auto eval(const uint64_t ss, const LatticeUnaryExpression<Op, T1> &expr)
 {
   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)))
+  -> decltype(expr.op.func(eval(ss, expr.arg1), 
+			   eval(ss, expr.arg2), 
+			   eval(ss, expr.arg3)))
 {
-  return 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
 }
 
 //////////////////////////////////////////////////////////////////////////
@@ -179,16 +250,12 @@ inline void CBFromExpression(int &cb, const T1 &lat)  // Lattice leaf
   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
-{
-}
-
+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) 
 {
   CBFromExpression(cb, expr.arg1);  // recurse AST
 }
-
 template <typename Op, typename T1, typename T2> inline 
 void CBFromExpression(int &cb,const LatticeBinaryExpression<Op, T1, T2> &expr) 
 {
@@ -203,32 +270,86 @@ inline void CBFromExpression(int &cb, const LatticeTrinaryExpression<Op, T1, T2,
   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 accelerator_inline func(const arg a) -> decltype(ret) { return ret; } \
+    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));
@@ -240,10 +361,10 @@ GridUnopClass(UnaryExp, exp(a));
 // Binary operators
 ////////////////////////////////////////////
 #define GridBinOpClass(name, combination)			\
-  template <class left, class right>				\
   struct name {							\
+    template <class _left, class _right>			\
     static auto accelerator_inline				\
-    func(const left &lhs, const right &rhs)			\
+    func(const _left &lhs, const _right &rhs)			\
       -> decltype(combination) const				\
     {								\
       return combination;					\
@@ -263,10 +384,10 @@ GridBinOpClass(BinaryOrOr, lhs || rhs);
 // Trinary conditional op
 ////////////////////////////////////////////////////
 #define GridTrinOpClass(name, combination)				\
-  template <class predicate, class left, class right>			\
   struct name {								\
+    template <class _predicate,class _left, class _right>		\
     static auto accelerator_inline					\
-    func(const predicate &pred, const left &lhs, const right &rhs)	\
+    func(const _predicate &pred, const _left &lhs, const _right &rhs)	\
       -> decltype(combination) const					\
     {									\
       return combination;						\
@@ -274,17 +395,17 @@ GridBinOpClass(BinaryOrOr, lhs || rhs);
   };
 
 GridTrinOpClass(TrinaryWhere,
-		(predicatedWhere<predicate, 
-		 typename std::remove_reference<left>::type,
-		 typename std::remove_reference<right>::type>(pred, lhs,rhs)));
+		(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<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_UNOP(name)   name
+#define GRID_BINOP(name)  name
+#define GRID_TRINOP(name) name
 
 #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> \
@@ -330,22 +451,17 @@ GridTrinOpClass(TrinaryWhere,
 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);
@@ -370,29 +486,36 @@ GRID_DEF_TRINOP(where, TrinaryWhere);
 /////////////////////////////////////////////////////////////
 template <class Op, class T1>
 auto closure(const LatticeUnaryExpression<Op, T1> &expr)
-  -> Lattice<decltype(expr.op.func(eval(0, expr.arg1)))> 
+  -> Lattice<typename std::remove_const<decltype(expr.op.func(vecEval(0, expr.arg1)))>::type > 
 {
-  Lattice<decltype(expr.op.func(eval(0, expr.arg1)))> ret(expr);
+  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.op.func(eval(0, expr.arg1),eval(0, expr.arg2)))> 
+  -> Lattice<typename std::remove_const<decltype(expr.op.func(vecEval(0, expr.arg1),vecEval(0, expr.arg2)))>::type >
 {
-  Lattice<decltype(expr.op.func(eval(0, expr.arg1),eval(0, expr.arg2)))> ret(expr);
+  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.op.func(eval(0, expr.arg1),
-				   eval(0, expr.arg2),
-				   eval(0, expr.arg3)))> 
+  -> Lattice<typename std::remove_const<decltype(expr.op.func(vecEval(0, expr.arg1),
+				   vecEval(0, expr.arg2),
+				   vecEval(0, expr.arg3)))>::type >
 {
-  Lattice<decltype(expr.op.func(eval(0, expr.arg1),
-				eval(0, expr.arg2),
-				eval(0, expr.arg3)))>  ret(expr);
+  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

Grid/lattice/Lattice_arith.h

@@ -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
@@ -35,10 +36,11 @@ NAMESPACE_BEGIN(Grid);
 //////////////////////////////////////////////////////////////////////////////////////////////////////
 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();
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
-  auto rhs_v = rhs.View();
+  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(),{
@@ -52,16 +54,17 @@ void mult(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
   
 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);
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
-  auto rhs_v = rhs.View();
+  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);
+    auto tmp  =ret_v(ss);
     mac(&tmp,&lhs_t,&rhs_t);
     coalescedWrite(ret_v[ss],tmp);
   });
@@ -69,12 +72,13 @@ void mac(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
   
 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);
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
-  auto rhs_v = rhs.View();
+  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);
@@ -85,12 +89,13 @@ void sub(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
 }
 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);
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
-  auto rhs_v = rhs.View();
+  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);
@@ -105,10 +110,11 @@ void add(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
 //////////////////////////////////////////////////////////////////////////////////////////////////////
 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);
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
+  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);
@@ -118,12 +124,13 @@ void mult(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
   
 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);
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( lhs_v , lhs, AcceleratorRead);
   accelerator_for(ss,lhs_v.size(),obj1::Nsimd(),{
-    decltype(coalescedRead(obj1())) tmp;
+    auto tmp  =ret_v(ss);
     auto lhs_t=lhs_v(ss);
     mac(&tmp,&lhs_t,&rhs);
     coalescedWrite(ret_v[ss],tmp);
@@ -132,10 +139,11 @@ void mac(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
   
 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);
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
+  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);
@@ -145,10 +153,11 @@ void sub(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
 }
 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);
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
+  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);
@@ -162,10 +171,11 @@ void add(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
 //////////////////////////////////////////////////////////////////////////////////////////////////////
 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);
-  auto ret_v = ret.View();
-  auto rhs_v = lhs.View();
+  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);
@@ -176,12 +186,13 @@ void mult(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
   
 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);
-  auto ret_v = ret.View();
-  auto rhs_v = lhs.View();
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( rhs_v , lhs, AcceleratorRead);
   accelerator_for(ss,rhs_v.size(),obj1::Nsimd(),{
-    decltype(coalescedRead(obj1())) tmp;
+    auto tmp  =ret_v(ss);
     auto rhs_t=rhs_v(ss);
     mac(&tmp,&lhs,&rhs_t);
     coalescedWrite(ret_v[ss],tmp);
@@ -190,10 +201,11 @@ void mac(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
   
 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);
-  auto ret_v = ret.View();
-  auto rhs_v = lhs.View();
+  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);
@@ -203,10 +215,11 @@ void sub(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
 }
 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);
-  auto ret_v = ret.View();
-  auto rhs_v = lhs.View();
+  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);
@@ -217,25 +230,27 @@ void add(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
   
 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);
-  auto ret_v = ret.View();
-  auto x_v = x.View();
-  auto y_v = y.View();
+  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)+y_v(ss);
+    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);
-  auto ret_v = ret.View();
-  auto x_v = x.View();
-  auto y_v = y.View();
+  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);
@@ -245,11 +260,13 @@ void axpby(Lattice<vobj> &ret,sobj a,sobj b,const Lattice<vobj> &x,const Lattice
 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);
 }
 

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
@@ -28,6 +29,7 @@ See the full license in the file "LICENSE" in the top level distribution
 directory
 *************************************************************************************/
 			   /*  END LEGAL */
+
 #pragma once 
 
 #define STREAMING_STORES
@@ -36,129 +38,6 @@ NAMESPACE_BEGIN(Grid);
 
 extern int GridCshiftPermuteMap[4][16];
 
-///////////////////////////////////////////////////////////////////
-// Base class which can be used by traits to pick up behaviour
-///////////////////////////////////////////////////////////////////
-class LatticeBase {};
-
-/////////////////////////////////////////////////////////////////////////////////////////
-// Conformable checks; same instance of Grid required
-/////////////////////////////////////////////////////////////////////////////////////////
-void accelerator_inline conformable(GridBase *lhs,GridBase *rhs)
-{
-  assert(lhs == rhs);
-}
-
-////////////////////////////////////////////////////////////////////////////
-// Minimal base class containing only data valid to access from accelerator
-// _odata will be a managed pointer in CUDA
-////////////////////////////////////////////////////////////////////////////
-// Force access to lattice through a view object.
-// prevents writing of code that will not offload to GPU, but perhaps annoyingly
-// strict since host could could in principle direct access through the lattice object
-// Need to decide programming model.
-#define LATTICE_VIEW_STRICT
-template<class vobj> class LatticeAccelerator : public LatticeBase
-{
-protected:
-  GridBase *_grid;
-  int checkerboard;
-  vobj     *_odata;    // A managed pointer
-  uint64_t _odata_size;    
-public:
-  accelerator_inline LatticeAccelerator() : checkerboard(0), _odata(nullptr), _odata_size(0), _grid(nullptr) { }; 
-  accelerator_inline uint64_t oSites(void) const { return _odata_size; };
-  accelerator_inline int  Checkerboard(void) const { return checkerboard; };
-  accelerator_inline int &Checkerboard(void) { return this->checkerboard; }; // can assign checkerboard on a container, not a view
-  accelerator_inline void Conformable(GridBase * &grid) const
-  { 
-    if (grid) conformable(grid, _grid);
-    else      grid = _grid;
-  };
-};
-
-/////////////////////////////////////////////////////////////////////////////////////////
-// A View class which provides accessor to the data.
-// This will be safe to call from accelerator_for and is trivially copy constructible
-// The copy constructor for this will need to be used by device lambda functions
-/////////////////////////////////////////////////////////////////////////////////////////
-template<class vobj> 
-class LatticeView : public LatticeAccelerator<vobj>
-{
-public:
-
-
-  // Rvalue
-#ifdef __CUDA_ARCH__
-  accelerator_inline const typename vobj::scalar_object operator()(size_t i) const { return coalescedRead(this->_odata[i]); }
-#else 
-  accelerator_inline const vobj & operator()(size_t i) const { return this->_odata[i]; }
-#endif
-
-  accelerator_inline const vobj & operator[](size_t i) const { return this->_odata[i]; };
-  accelerator_inline vobj       & operator[](size_t i)       { return this->_odata[i]; };
-
-  accelerator_inline uint64_t begin(void) const { return 0;};
-  accelerator_inline uint64_t end(void)   const { return this->_odata_size; };
-  accelerator_inline uint64_t size(void)  const { return this->_odata_size; };
-
-  LatticeView(const LatticeAccelerator<vobj> &refer_to_me) : LatticeAccelerator<vobj> (refer_to_me)
-  {
-  }
-};
-
-/////////////////////////////////////////////////////////////////////////////////////////
-// Lattice expression types used by ET to assemble the AST
-// 
-// Need to be able to detect code paths according to the whether a lattice object or not
-// so introduce some trait type things
-/////////////////////////////////////////////////////////////////////////////////////////
-
-class LatticeExpressionBase {};
-
-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<class T, bool isLattice> struct ViewMapBase { typedef T Type; };
-template<class T>                 struct ViewMapBase<T,true> { typedef LatticeView<typename T::vector_object> Type; };
-template<class T> using ViewMap = ViewMapBase<T,std::is_base_of<LatticeBase, T>::value >;
-
-template <typename Op, typename _T1>                           
-class LatticeUnaryExpression : public  LatticeExpressionBase 
-{
-public:
-  typedef typename ViewMap<_T1>::Type T1;
-  Op op;
-  T1 arg1;
-  LatticeUnaryExpression(Op _op,const _T1 &_arg1) : op(_op), arg1(_arg1) {};
-};
-
-template <typename Op, typename _T1, typename _T2>              
-class LatticeBinaryExpression : public LatticeExpressionBase 
-{
-public:
-  typedef typename ViewMap<_T1>::Type T1;
-  typedef typename ViewMap<_T2>::Type T2;
-  Op op;
-  T1 arg1;
-  T2 arg2;
-  LatticeBinaryExpression(Op _op,const _T1 &_arg1,const _T2 &_arg2) : op(_op), arg1(_arg1), arg2(_arg2) {};
-};
-
-template <typename Op, typename _T1, typename _T2, typename _T3> 
-class LatticeTrinaryExpression : public LatticeExpressionBase 
-{
-public:
-  typedef typename ViewMap<_T1>::Type T1;
-  typedef typename ViewMap<_T2>::Type T2;
-  typedef typename ViewMap<_T3>::Type T3;
-  Op op;
-  T1 arg1;
-  T2 arg2;
-  T3 arg3;
-  LatticeTrinaryExpression(Op _op,const _T1 &_arg1,const _T2 &_arg2,const _T3 &_arg3) : op(_op), arg1(_arg1), arg2(_arg2), arg3(_arg3) {};
-};
-
 /////////////////////////////////////////////////////////////////////////////////////////
 // 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
@@ -173,13 +52,14 @@ public:
   ///////////////////////////////////////////////////
   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)
   {
-    alignedAllocator<vobj> alloc;
     if( this->_odata_size ) {
+      alignedAllocator<vobj> alloc;
       alloc.deallocate(this->_odata,this->_odata_size);
       this->_odata=nullptr;
       this->_odata_size=0;
@@ -187,28 +67,46 @@ private:
   }
   void resize(uint64_t size)
   {
-    alignedAllocator<vobj> alloc;
     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;
     }
-    this->_odata_size = size;
-    if ( size ) 
-      this->_odata      = alloc.allocate(this->_odata_size);
-    else 
-      this->_odata      = nullptr;
   }
 public:
+
+  /////////////////////////////////////////////////////////////////////////////////
+  // 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 (void) const 
+
+  LatticeView<vobj> View (ViewMode mode) const 
   {
-    LatticeView<vobj> accessor(*( (LatticeAccelerator<vobj> *) this));
+    LatticeView<vobj> accessor(*( (LatticeAccelerator<vobj> *) this),mode);
     return accessor;
   }
-  
+
   ~Lattice() { 
     if ( this->_odata_size ) {
       dealloc();
@@ -219,6 +117,7 @@ public:
   ////////////////////////////////////////////////////////////////////////////////
   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);
@@ -228,16 +127,21 @@ public:
     CBFromExpression(cb,expr);
     assert( (cb==Odd) || (cb==Even));
     this->checkerboard=cb;
-
-    auto me  = View();
-    accelerator_for(ss,me.size(),1,{
-      auto tmp = eval(ss,expr);
-      vstream(me[ss],tmp);
+    
+    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> inline Lattice<vobj> & operator=(const LatticeBinaryExpression<Op,T1,T2> &expr)
   {
+    GRID_TRACE("ExpressionTemplateEval");
     GridBase *egrid(nullptr);
     GridFromExpression(egrid,expr);
     assert(egrid!=nullptr);
@@ -248,15 +152,20 @@ public:
     assert( (cb==Odd) || (cb==Even));
     this->checkerboard=cb;
 
-    auto me  = View();
-    accelerator_for(ss,me.size(),1,{
-      auto tmp = eval(ss,expr);
-      vstream(me[ss],tmp);
+    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> inline Lattice<vobj> & operator=(const LatticeTrinaryExpression<Op,T1,T2,T3> &expr)
   {
+    GRID_TRACE("ExpressionTemplateEval");
     GridBase *egrid(nullptr);
     GridFromExpression(egrid,expr);
     assert(egrid!=nullptr);
@@ -266,11 +175,15 @@ public:
     CBFromExpression(cb,expr);
     assert( (cb==Odd) || (cb==Even));
     this->checkerboard=cb;
-    auto me  = View();
-    accelerator_for(ss,me.size(),1,{
-      auto tmp = eval(ss,expr);
-      vstream(me[ss],tmp);
+    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
@@ -321,10 +234,11 @@ public:
   }
 
   template<class sobj> inline Lattice<vobj> & operator = (const sobj & r){
-    auto me  = View();
+    auto me  = View(CpuWrite);
     thread_for(ss,me.size(),{
-      me[ss] = r;
+	me[ss]= r;
     });
+    me.ViewClose();
     return *this;
   }
 
@@ -334,11 +248,12 @@ public:
   ///////////////////////////////////////////
   // user defined constructor
   ///////////////////////////////////////////
-  Lattice(GridBase *grid) { 
+  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);
   }
   
   //  virtual ~Lattice(void) = default;
@@ -346,7 +261,7 @@ public:
   void reset(GridBase* grid) {
     if (this->_grid != grid) {
       this->_grid = grid;
-      this->_odata.resize(grid->oSites());
+      this->resize(grid->oSites());
       this->checkerboard = 0;
     }
   }
@@ -354,7 +269,6 @@ public:
   // copy constructor
   ///////////////////////////////////////////
   Lattice(const Lattice& r){ 
-    //    std::cout << "Lattice constructor(const Lattice &) "<<this<<std::endl; 
     this->_grid = r.Grid();
     resize(this->_grid->oSites());
     *this = r;
@@ -377,11 +291,12 @@ public:
     typename std::enable_if<!std::is_same<robj,vobj>::value,int>::type i=0;
     conformable(*this,r);
     this->checkerboard = r.Checkerboard();
-    auto me =   View();
-    auto him= r.View();
+    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;
   }
 
@@ -391,11 +306,12 @@ public:
   inline Lattice<vobj> & operator = (const Lattice<vobj> & r){
     this->checkerboard = r.Checkerboard();
     conformable(*this,r);
-    auto me =   View();
-    auto him= r.View();
+    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;
   }
   ///////////////////////////////////////////

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

@@ -42,34 +42,6 @@ NAMESPACE_BEGIN(Grid);
 
 typedef iScalar<vInteger> vPredicate ;
 
-/*
-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::vector_type vector_type;
-
-  const int Nsimd = vobj::vector_type::Nsimd();
-
-  ExtractBuffer<Integer> mask(Nsimd);
-  ExtractBuffer<scalar_object> truevals(Nsimd);
-  ExtractBuffer<scalar_object> falsevals(Nsimd);
-
-  extract(iftrue, truevals);
-  extract(iffalse, falsevals);
-  extract<vInteger, Integer>(TensorRemove(predicate), mask);
-
-  for (int s = 0; s < Nsimd; s++) {
-    if (mask[s]) falsevals[s] = truevals[s];
-  }
-
-  merge(ret, falsevals);
-  return ret;
-}
-*/
 //////////////////////////////////////////////////////////////////////////
 // compare lattice to lattice
 //////////////////////////////////////////////////////////////////////////
@@ -78,9 +50,9 @@ 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());
-  auto lhs_v = lhs.View();
-  auto rhs_v = rhs.View();
-  auto ret_v = ret.View();
+  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]);
   });
@@ -93,8 +65,8 @@ 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());
-  auto lhs_v = lhs.View();
-  auto ret_v = ret.View();
+  autoView( lhs_v, lhs, CpuRead);
+  autoView( ret_v, ret, CpuWrite);
   thread_for( ss, lhs_v.size(), {
     ret_v[ss]=op(lhs_v[ss],rhs);
   });
@@ -107,8 +79,8 @@ 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());
-  auto rhs_v = rhs.View();
-  auto ret_v = ret.View();
+  autoView( rhs_v, rhs, CpuRead);
+  autoView( ret_v, ret, CpuWrite);
   thread_for( ss, rhs_v.size(), {
     ret_v[ss]=op(lhs,rhs_v[ss]);
   });

Grid/lattice/Lattice_coordinate.h

@@ -37,38 +37,19 @@ template<class iobj> inline void LatticeCoordinate(Lattice<iobj> &l,int mu)
   GridBase *grid = l.Grid();
   int Nsimd = grid->iSites();
 
-  Coordinate gcoor;
-  ExtractBuffer<scalar_type> mergebuf(Nsimd);
-
-  vector_type vI;
-  auto l_v = l.View();
-  for(int o=0;o<grid->oSites();o++){
+  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;
-  }
+  });
 };
 
-// LatticeCoordinate();
-// FIXME for debug; deprecate this; made obscelete by 
-template<class vobj> void lex_sites(Lattice<vobj> &l){
-  auto l_v = l.View();
-  Real *v_ptr = (Real *)&l_v[0];
-  size_t o_len = l.Grid()->oSites();
-  size_t v_len = sizeof(vobj)/sizeof(vRealF);
-  size_t vec_len = vRealF::Nsimd();
-
-  for(int i=0;i<o_len;i++){
-    for(int j=0;j<v_len;j++){
-      for(int vv=0;vv<vec_len;vv+=2){
-	v_ptr[i*v_len*vec_len+j*vec_len+vv  ]= i+vv*500;
-	v_ptr[i*v_len*vec_len+j*vec_len+vv+1]= i+vv*500;
-      }
-    }}
-}
-
 NAMESPACE_END(Grid);
 

Grid/lattice/Lattice_crc.h

@@ -2,11 +2,10 @@
 
     Grid physics library, www.github.com/paboyle/Grid 
 
-    Source file: ./lib/qcd/action/fermion/PartialFractionFermion5D.cc
+    Source file: ./lib/lattice/Lattice_crc.h
 
-    Copyright (C) 2015
+    Copyright (C) 2021
 
-Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
     This program is free software; you can redistribute it and/or modify
@@ -26,14 +25,31 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
 *************************************************************************************/
 /*  END LEGAL */
-#include <Grid/qcd/action/fermion/FermionCore.h>
-#include <Grid/qcd/action/fermion/PartialFractionFermion5D.h>
-#include <Grid/qcd/action/fermion/implementation/PartialFractionFermion5DImplementation.h>
+#pragma once
 
 NAMESPACE_BEGIN(Grid);
- 
-#include "impl.h"
-template class PartialFractionFermion5D<IMPLEMENTATION>; 
+
+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

@@ -43,8 +43,8 @@ template<class vobj>
 inline auto localNorm2 (const Lattice<vobj> &rhs)-> Lattice<typename vobj::tensor_reduced>
 {
   Lattice<typename vobj::tensor_reduced> ret(rhs.Grid());
-  auto rhs_v = rhs.View();
-  auto ret_v = ret.View();
+  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)));
   });
@@ -56,9 +56,9 @@ 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());
-  auto lhs_v = lhs.View();
-  auto rhs_v = rhs.View();
-  auto ret_v = ret.View();
+  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)));
   });
@@ -73,9 +73,9 @@ inline auto outerProduct (const Lattice<ll> &lhs,const Lattice<rr> &rhs) -> Latt
   typedef decltype(coalescedRead(ll())) sll;
   typedef decltype(coalescedRead(rr())) srr;
   Lattice<decltype(outerProduct(ll(),rr()))> ret(rhs.Grid());
-  auto lhs_v = lhs.View();
-  auto rhs_v = rhs.View();
-  auto ret_v = ret.View();
+  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

Grid/lattice/Lattice_matrix_reduction.h

@@ -32,7 +32,6 @@ template<class vobj>
 static void sliceMaddMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<vobj> &X,const Lattice<vobj> &Y,int Orthog,RealD scale=1.0) 
 {    
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   int Nblock = X.Grid()->GlobalDimensions()[Orthog];
@@ -51,9 +50,9 @@ static void sliceMaddMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice
   int block =FullGrid->_slice_block [Orthog];
   int nblock=FullGrid->_slice_nblock[Orthog];
   int ostride=FullGrid->_ostride[Orthog];
-  auto X_v = X.View();
-  auto Y_v = Y.View();
-  auto R_v = R.View();
+  autoView( X_v , X, CpuRead);
+  autoView( Y_v , Y, CpuRead);
+  autoView( R_v , R, CpuWrite);
   thread_region
   {
     std::vector<vobj> s_x(Nblock);
@@ -82,7 +81,6 @@ template<class vobj>
 static void sliceMulMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<vobj> &X,int Orthog,RealD scale=1.0) 
 {    
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   int Nblock = X.Grid()->GlobalDimensions()[Orthog];
@@ -97,8 +95,8 @@ static void sliceMulMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<
   int nblock=FullGrid->_slice_nblock[Orthog];
   int ostride=FullGrid->_ostride[Orthog];
 
-  auto X_v = X.View();
-  auto R_v = R.View();
+  autoView( X_v , X, CpuRead);
+  autoView( R_v , R, CpuWrite);
 
   thread_region
   {
@@ -130,7 +128,6 @@ template<class vobj>
 static void sliceInnerProductMatrix(  Eigen::MatrixXcd &mat, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int Orthog) 
 {
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
   
   GridBase *FullGrid  = lhs.Grid();
@@ -156,8 +153,8 @@ static void sliceInnerProductMatrix(  Eigen::MatrixXcd &mat, const Lattice<vobj>
   int ostride=FullGrid->_ostride[Orthog];
 
   typedef typename vobj::vector_typeD vector_typeD;
-  auto lhs_v = lhs.View();
-  auto rhs_v = rhs.View();
+  autoView( lhs_v , lhs, CpuRead);
+  autoView( rhs_v , rhs, CpuRead);
   thread_region {
     std::vector<vobj> Left(Nblock);
     std::vector<vobj> Right(Nblock);

Grid/lattice/Lattice_peekpoke.h

@@ -46,9 +46,9 @@ auto PeekIndex(const Lattice<vobj> &lhs,int i) -> Lattice<decltype(peekIndex<Ind
 {
   Lattice<decltype(peekIndex<Index>(vobj(),i))> ret(lhs.Grid());
   ret.Checkerboard()=lhs.Checkerboard();
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
-  thread_for( ss, lhs_v.size(), {
+  autoView( ret_v, ret, AcceleratorWrite);
+  autoView( lhs_v, lhs, AcceleratorRead);
+  accelerator_for( ss, lhs_v.size(), 1, {
     ret_v[ss] = peekIndex<Index>(lhs_v[ss],i);
   });
   return ret;
@@ -58,9 +58,9 @@ auto PeekIndex(const Lattice<vobj> &lhs,int i,int j) -> Lattice<decltype(peekInd
 {
   Lattice<decltype(peekIndex<Index>(vobj(),i,j))> ret(lhs.Grid());
   ret.Checkerboard()=lhs.Checkerboard();
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
-  thread_for( ss, lhs_v.size(), {
+  autoView( ret_v, ret, AcceleratorWrite);
+  autoView( lhs_v, lhs, AcceleratorRead);
+  accelerator_for( ss, lhs_v.size(), 1, {
     ret_v[ss] = peekIndex<Index>(lhs_v[ss],i,j);
   });
   return ret;
@@ -72,18 +72,18 @@ auto PeekIndex(const Lattice<vobj> &lhs,int i,int j) -> Lattice<decltype(peekInd
 template<int Index,class vobj>  
 void PokeIndex(Lattice<vobj> &lhs,const Lattice<decltype(peekIndex<Index>(vobj(),0))> & rhs,int i)
 {
-  auto rhs_v = rhs.View();
-  auto lhs_v = lhs.View();
-  thread_for( ss, lhs_v.size(), {
+  autoView( rhs_v, rhs, AcceleratorRead);
+  autoView( lhs_v, lhs, AcceleratorWrite);
+  accelerator_for( ss, lhs_v.size(), 1, {
     pokeIndex<Index>(lhs_v[ss],rhs_v[ss],i);
   });
 }
 template<int Index,class vobj> 
 void PokeIndex(Lattice<vobj> &lhs,const Lattice<decltype(peekIndex<Index>(vobj(),0,0))> & rhs,int i,int j)
 {
-  auto rhs_v = rhs.View();
-  auto lhs_v = lhs.View();
-  thread_for( ss, lhs_v.size(), {
+  autoView( rhs_v, rhs, AcceleratorRead);
+  autoView( lhs_v, lhs, AcceleratorWrite);
+  accelerator_for( ss, lhs_v.size(), 1, {
     pokeIndex<Index>(lhs_v[ss],rhs_v[ss],i,j);
   });
 }
@@ -96,9 +96,6 @@ void pokeSite(const sobj &s,Lattice<vobj> &l,const Coordinate &site){
 
   GridBase *grid=l.Grid();
 
-  typedef typename vobj::scalar_type scalar_type;
-  typedef typename vobj::vector_type vector_type;
-
   int Nsimd = grid->Nsimd();
 
   assert( l.Checkerboard()== l.Grid()->CheckerBoard(site));
@@ -111,7 +108,7 @@ void pokeSite(const sobj &s,Lattice<vobj> &l,const Coordinate &site){
 
   // extract-modify-merge cycle is easiest way and this is not perf critical
   ExtractBuffer<sobj> buf(Nsimd);
-  auto l_v = l.View();
+  autoView( l_v , l, CpuWrite);
   if ( rank == grid->ThisRank() ) {
     extract(l_v[odx],buf);
     buf[idx] = s;
@@ -125,14 +122,17 @@ void pokeSite(const sobj &s,Lattice<vobj> &l,const Coordinate &site){
 //////////////////////////////////////////////////////////
 // Peek a scalar object from the SIMD array
 //////////////////////////////////////////////////////////
+template<class vobj>
+typename vobj::scalar_object peekSite(const Lattice<vobj> &l,const Coordinate &site){
+  typename vobj::scalar_object s;
+  peekSite(s,l,site);
+  return s;
+}        
 template<class vobj,class sobj>
 void peekSite(sobj &s,const Lattice<vobj> &l,const Coordinate &site){
         
   GridBase *grid=l.Grid();
 
-  typedef typename vobj::scalar_type scalar_type;
-  typedef typename vobj::vector_type vector_type;
-
   int Nsimd = grid->Nsimd();
 
   assert( l.Checkerboard() == l.Grid()->CheckerBoard(site));
@@ -141,7 +141,7 @@ void peekSite(sobj &s,const Lattice<vobj> &l,const Coordinate &site){
   grid->GlobalCoorToRankIndex(rank,odx,idx,site);
 
   ExtractBuffer<sobj> buf(Nsimd);
-  auto l_v = l.View();
+  autoView( l_v , l, CpuWrite);
   extract(l_v[odx],buf);
 
   s = buf[idx];
@@ -151,21 +151,21 @@ void peekSite(sobj &s,const Lattice<vobj> &l,const Coordinate &site){
   return;
 };
 
-
 //////////////////////////////////////////////////////////
 // Peek a scalar object from the SIMD array
 //////////////////////////////////////////////////////////
+// Must be CPU read view
 template<class vobj,class sobj>
-void peekLocalSite(sobj &s,const Lattice<vobj> &l,Coordinate &site){
-        
-  GridBase *grid = l.Grid();
-
+inline void peekLocalSite(sobj &s,const LatticeView<vobj> &l,Coordinate &site)
+{
+  GridBase *grid = l.getGrid();
+  assert(l.mode==CpuRead);
   typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   int Nsimd = grid->Nsimd();
 
-  assert( l.Checkerboard()== l.Grid()->CheckerBoard(site));
+  assert( l.Checkerboard()== grid->CheckerBoard(site));
   assert( sizeof(sobj)*Nsimd == sizeof(vobj));
 
   static const int words=sizeof(vobj)/sizeof(vector_type);
@@ -173,28 +173,36 @@ void peekLocalSite(sobj &s,const Lattice<vobj> &l,Coordinate &site){
   idx= grid->iIndex(site);
   odx= grid->oIndex(site);
   
-  auto l_v = l.View();
-  scalar_type * vp = (scalar_type *)&l_v[odx];
+  const vector_type *vp = (const vector_type *) &l[odx];
   scalar_type * pt = (scalar_type *)&s;
       
   for(int w=0;w<words;w++){
-    pt[w] = vp[idx+w*Nsimd];
+    pt[w] = getlane(vp[w],idx);
   }
       
   return;
 };
-
 template<class vobj,class sobj>
-void pokeLocalSite(const sobj &s,Lattice<vobj> &l,Coordinate &site){
+inline void peekLocalSite(sobj &s,const Lattice<vobj> &l,Coordinate &site)
+{
+  autoView(lv,l,CpuRead);
+  peekLocalSite(s,lv,site);
+  return;
+};
 
-  GridBase *grid=l.Grid();
+// Must be CPU write view
+template<class vobj,class sobj>
+inline void pokeLocalSite(const sobj &s,LatticeView<vobj> &l,Coordinate &site)
+{
+  GridBase *grid=l.getGrid();
+  assert(l.mode==CpuWrite);
 
   typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   int Nsimd = grid->Nsimd();
 
-  assert( l.Checkerboard()== l.Grid()->CheckerBoard(site));
+  assert( l.Checkerboard()== grid->CheckerBoard(site));
   assert( sizeof(sobj)*Nsimd == sizeof(vobj));
 
   static const int words=sizeof(vobj)/sizeof(vector_type);
@@ -202,13 +210,19 @@ void pokeLocalSite(const sobj &s,Lattice<vobj> &l,Coordinate &site){
   idx= grid->iIndex(site);
   odx= grid->oIndex(site);
 
-  auto l_v = l.View();
-  scalar_type * vp = (scalar_type *)&l_v[odx];
+  vector_type * vp = (vector_type *)&l[odx];
   scalar_type * pt = (scalar_type *)&s;
   for(int w=0;w<words;w++){
-    vp[idx+w*Nsimd] = pt[w];
+    putlane(vp[w],pt[w],idx);
   }
+  return;
+};
 
+template<class vobj,class sobj>
+inline void pokeLocalSite(const sobj &s, Lattice<vobj> &l,Coordinate &site)
+{
+  autoView(lv,l,CpuWrite);
+  pokeLocalSite(s,lv,site);
   return;
 };
 

Grid/lattice/Lattice_real_imag.h

@@ -0,0 +1,79 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/lattice/Lattice_reality.h
+
+    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>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_LATTICE_REAL_IMAG_H
+#define GRID_LATTICE_REAL_IMAG_H
+
+
+// FIXME .. this is the sector of the code 
+// I am most worried about the directions
+// The choice of burying complex in the SIMD
+// is making the use of "real" and "imag" very cumbersome
+
+NAMESPACE_BEGIN(Grid);
+
+template<class vobj> inline Lattice<vobj> real(const Lattice<vobj> &lhs){
+  Lattice<vobj> ret(lhs.Grid());
+
+  autoView( lhs_v, lhs, AcceleratorRead);
+  autoView( ret_v, ret, AcceleratorWrite);
+
+  ret.Checkerboard()=lhs.Checkerboard();
+  accelerator_for( ss, lhs_v.size(), 1, {
+    ret_v[ss] =real(lhs_v[ss]);
+  });
+  return ret;
+};
+template<class vobj> inline Lattice<vobj> imag(const Lattice<vobj> &lhs){
+  Lattice<vobj> ret(lhs.Grid());
+
+  autoView( lhs_v, lhs, AcceleratorRead);
+  autoView( ret_v, ret, AcceleratorWrite);
+
+  ret.Checkerboard()=lhs.Checkerboard();
+  accelerator_for( ss, lhs_v.size(), 1, {
+    ret_v[ss] =imag(lhs_v[ss]);
+  });
+  return ret;
+};
+
+template<class Expression,typename std::enable_if<is_lattice_expr<Expression>::value,void>::type * = nullptr> 
+  auto real(const Expression &expr) -> decltype(real(closure(expr)))		
+{									
+  return real(closure(expr));					
+}
+template<class Expression,typename std::enable_if<is_lattice_expr<Expression>::value,void>::type * = nullptr> 
+  auto imag(const Expression &expr) -> decltype(imag(closure(expr)))		
+{									
+  return imag(closure(expr));					
+}
+
+NAMESPACE_END(Grid);
+
+#endif

Grid/lattice/Lattice_reality.h

@@ -40,24 +40,77 @@ NAMESPACE_BEGIN(Grid);
 
 template<class vobj> inline Lattice<vobj> adj(const Lattice<vobj> &lhs){
   Lattice<vobj> ret(lhs.Grid());
-  auto lhs_v = lhs.View();
-  auto ret_v = ret.View();
-  accelerator_for( ss, lhs_v.size(), vobj::Nsimd(), {
-    coalescedWrite(ret_v[ss], adj(lhs_v(ss)));
+
+  autoView( lhs_v, lhs, AcceleratorRead);
+  autoView( ret_v, ret, AcceleratorWrite);
+
+  ret.Checkerboard()=lhs.Checkerboard();
+  accelerator_for( ss, lhs_v.size(), 1, {
+     ret_v[ss] = adj(lhs_v[ss]);
   });
   return ret;
 };
 
 template<class vobj> inline Lattice<vobj> conjugate(const Lattice<vobj> &lhs){
   Lattice<vobj> ret(lhs.Grid());
-  auto lhs_v = lhs.View();
-  auto ret_v = ret.View();
+
+  autoView( lhs_v, lhs, AcceleratorRead);
+  autoView( ret_v, ret, AcceleratorWrite);
+
+  ret.Checkerboard() = lhs.Checkerboard();
   accelerator_for( ss, lhs_v.size(), vobj::Nsimd(), {
     coalescedWrite( ret_v[ss] , conjugate(lhs_v(ss)));
   });
   return ret;
 };
 
+template<class vobj> inline Lattice<typename vobj::Complexified> toComplex(const Lattice<vobj> &lhs){
+  Lattice<typename vobj::Complexified> ret(lhs.Grid());
+
+  autoView( lhs_v, lhs, AcceleratorRead);
+  autoView( ret_v, ret, AcceleratorWrite);
+
+  ret.Checkerboard() = lhs.Checkerboard();
+  accelerator_for( ss, lhs_v.size(), 1, {
+    ret_v[ss] = toComplex(lhs_v[ss]);
+  });
+  return ret;
+};
+template<class vobj> inline Lattice<typename vobj::Realified> toReal(const Lattice<vobj> &lhs){
+  Lattice<typename vobj::Realified> ret(lhs.Grid());
+
+  autoView( lhs_v, lhs, AcceleratorRead);
+  autoView( ret_v, ret, AcceleratorWrite);
+
+  ret.Checkerboard() = lhs.Checkerboard();
+  accelerator_for( ss, lhs_v.size(), 1, {
+    ret_v[ss] = toReal(lhs_v[ss]);
+  });
+  return ret;
+};
+
+
+template<class Expression,typename std::enable_if<is_lattice_expr<Expression>::value,void>::type * = nullptr> 
+auto toComplex(const Expression &expr)  -> decltype(closure(expr)) 
+{
+  return toComplex(closure(expr));
+}
+template<class Expression,typename std::enable_if<is_lattice_expr<Expression>::value,void>::type * = nullptr> 
+auto toReal(const Expression &expr)  -> decltype(closure(expr)) 
+{
+  return toReal(closure(expr));
+}
+template<class Expression,typename std::enable_if<is_lattice_expr<Expression>::value,void>::type * = nullptr> 
+auto adj(const Expression &expr)  -> decltype(closure(expr)) 
+{
+  return adj(closure(expr));
+}
+template<class Expression,typename std::enable_if<is_lattice_expr<Expression>::value,void>::type * = nullptr> 
+auto conjugate(const Expression &expr)  -> decltype(closure(expr)) 
+{
+  return conjugate(closure(expr));
+}
+
 NAMESPACE_END(Grid);
 
 #endif

Grid/lattice/Lattice_reduction.h

@@ -5,6 +5,7 @@
 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
     the Free Software Foundation; either version 2 of the License, or
@@ -24,9 +25,12 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #include <Grid/Grid_Eigen_Dense.h>
 
 
-#ifdef GRID_NVCC
+#if defined(GRID_CUDA)||defined(GRID_HIP)
 #include <Grid/lattice/Lattice_reduction_gpu.h>
 #endif
+#if defined(GRID_SYCL)
+#include <Grid/lattice/Lattice_reduction_sycl.h>
+#endif
 
 NAMESPACE_BEGIN(Grid);
 
@@ -38,7 +42,7 @@ inline typename vobj::scalar_object sum_cpu(const vobj *arg, Integer osites)
 {
   typedef typename vobj::scalar_object  sobj;
 
-  const int Nsimd = vobj::Nsimd();
+  //  const int Nsimd = vobj::Nsimd();
   const int nthread = GridThread::GetThreads();
 
   Vector<sobj> sumarray(nthread);
@@ -61,24 +65,132 @@ inline typename vobj::scalar_object sum_cpu(const vobj *arg, Integer osites)
   for(int i=0;i<nthread;i++){
     ssum = ssum+sumarray[i];
   } 
-  
   return ssum;
 }
 template<class vobj>
+inline typename vobj::scalar_objectD sumD_cpu(const vobj *arg, Integer osites)
+{
+  typedef typename vobj::scalar_objectD  sobj;
+
+  const int nthread = GridThread::GetThreads();
+
+  Vector<sobj> sumarray(nthread);
+  for(int i=0;i<nthread;i++){
+    sumarray[i]=Zero();
+  }
+  
+  thread_for(thr,nthread, {
+    int nwork, mywork, myoff;
+    nwork = osites;
+    GridThread::GetWork(nwork,thr,mywork,myoff);
+    vobj vvsum=Zero();
+    for(int ss=myoff;ss<mywork+myoff; ss++){
+      vvsum = vvsum + arg[ss];
+    }
+    sumarray[thr]=Reduce(vvsum);
+  });
+  
+  sobj ssum=Zero();  // sum across threads
+  for(int i=0;i<nthread;i++){
+    ssum = ssum+sumarray[i];
+  } 
+  return ssum;
+}
+/*
+Threaded max, don't use for now
+template<class Double>
+inline Double max(const Double *arg, Integer osites)
+{
+  //  const int Nsimd = vobj::Nsimd();
+  const int nthread = GridThread::GetThreads();
+
+  std::vector<Double> maxarray(nthread);
+  
+  thread_for(thr,nthread, {
+    int nwork, mywork, myoff;
+    nwork = osites;
+    GridThread::GetWork(nwork,thr,mywork,myoff);
+    Double max=arg[0];
+    for(int ss=myoff;ss<mywork+myoff; ss++){
+      if( arg[ss] > max ) max = arg[ss];
+    }
+    maxarray[thr]=max;
+  });
+  
+  Double tmax=maxarray[0];
+  for(int i=0;i<nthread;i++){
+    if (maxarray[i]>tmax) tmax = maxarray[i];
+  } 
+  return tmax;
+}
+*/
+template<class vobj>
 inline typename vobj::scalar_object sum(const vobj *arg, Integer osites)
 {
-#ifdef GRID_NVCC
+#if defined(GRID_CUDA)||defined(GRID_HIP)||defined(GRID_SYCL)
   return sum_gpu(arg,osites);
 #else
   return sum_cpu(arg,osites);
 #endif  
 }
+template<class vobj>
+inline typename vobj::scalar_objectD sumD(const vobj *arg, Integer osites)
+{
+#if defined(GRID_CUDA)||defined(GRID_HIP)||defined(GRID_SYCL)
+  return sumD_gpu(arg,osites);
+#else
+  return sumD_cpu(arg,osites);
+#endif  
+}
+template<class vobj>
+inline typename vobj::scalar_objectD sumD_large(const vobj *arg, Integer osites)
+{
+#if defined(GRID_CUDA)||defined(GRID_HIP)||defined(GRID_SYCL)
+  return sumD_gpu_large(arg,osites);
+#else
+  return sumD_cpu(arg,osites);
+#endif  
+}
+
+template<class vobj>
+inline typename vobj::scalar_object rankSum(const Lattice<vobj> &arg)
+{
+  Integer osites = arg.Grid()->oSites();
+#if defined(GRID_CUDA)||defined(GRID_HIP)||defined(GRID_SYCL)
+  autoView( arg_v, arg, AcceleratorRead);
+  return sum_gpu(&arg_v[0],osites);
+#else
+  autoView(arg_v, arg, CpuRead);
+  return sum_cpu(&arg_v[0],osites);
+#endif  
+}
+
 template<class vobj>
 inline typename vobj::scalar_object sum(const Lattice<vobj> &arg)
 {
-  auto arg_v = arg.View();
+  auto ssum = rankSum(arg);
+  arg.Grid()->GlobalSum(ssum);
+  return ssum;
+}
+
+template<class vobj>
+inline typename vobj::scalar_object rankSumLarge(const Lattice<vobj> &arg)
+{
+#if defined(GRID_CUDA)||defined(GRID_HIP)||defined(GRID_SYCL)
+  autoView( arg_v, arg, AcceleratorRead);
   Integer osites = arg.Grid()->oSites();
-  auto ssum= sum(&arg_v[0],osites);
+  return sum_gpu_large(&arg_v[0],osites);
+#else
+  autoView(arg_v, arg, CpuRead);
+  Integer osites = arg.Grid()->oSites();
+  return sum_cpu(&arg_v[0],osites);
+#endif
+}
+
+template<class vobj>
+inline typename vobj::scalar_object sum_large(const Lattice<vobj> &arg)
+{
+  auto ssum = rankSumLarge(arg);
   arg.Grid()->GlobalSum(ssum);
   return ssum;
 }
@@ -91,57 +203,92 @@ template<class vobj> inline RealD norm2(const Lattice<vobj> &arg){
   return real(nrm); 
 }
 
+//The global maximum of the site norm2
+template<class vobj> inline RealD maxLocalNorm2(const Lattice<vobj> &arg)
+{
+  typedef typename vobj::tensor_reduced vscalar;  //iScalar<iScalar<.... <vPODtype> > >
+  typedef typename vscalar::scalar_object  scalar;   //iScalar<iScalar<.... <PODtype> > >
+
+  Lattice<vscalar> inner = localNorm2(arg);
+
+  auto grid = arg.Grid();
+
+  RealD max;
+  for(int l=0;l<grid->lSites();l++){
+    Coordinate coor;
+    scalar val;
+    RealD r;
+    grid->LocalIndexToLocalCoor(l,coor);
+    peekLocalSite(val,inner,coor);
+    r=real(TensorRemove(val));
+    if( (l==0) || (r>max)){
+      max=r;
+    }
+  }
+  grid->GlobalMax(max);
+  return max;
+}
+
 // Double inner product
 template<class vobj>
-inline ComplexD innerProduct(const Lattice<vobj> &left,const Lattice<vobj> &right)
+inline ComplexD rankInnerProduct(const Lattice<vobj> &left,const Lattice<vobj> &right)
 {
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_typeD vector_type;
   ComplexD  nrm;
   
   GridBase *grid = left.Grid();
-  
-  // Might make all code paths go this way.
-  auto left_v = left.View();
-  auto right_v=right.View();
 
   const uint64_t nsimd = grid->Nsimd();
   const uint64_t sites = grid->oSites();
   
-#ifdef GRID_NVCC
-  // GPU - SIMT lane compliance...
-  typedef decltype(innerProduct(left_v[0],right_v[0])) inner_t;
+  // Might make all code paths go this way.
+#if 0
+  typedef decltype(innerProductD(vobj(),vobj())) inner_t;
   Vector<inner_t> inner_tmp(sites);
   auto inner_tmp_v = &inner_tmp[0];
-  
-
-  accelerator_for( ss, sites, nsimd,{
-      auto x_l = left_v(ss);
-      auto y_l = right_v(ss);
-      coalescedWrite(inner_tmp_v[ss],innerProduct(x_l,y_l));
-  })
-
-  // This is in single precision and fails some tests
-  // Need a sumD that sums in double
-  nrm = TensorRemove(sumD_gpu(inner_tmp_v,sites));  
+  {
+    autoView( left_v , left, AcceleratorRead);
+    autoView( right_v,right, AcceleratorRead);
+    // This code could read coalesce
+    // GPU - SIMT lane compliance...
+    accelerator_for( ss, sites, nsimd,{
+	auto x_l = left_v(ss);
+	auto y_l = right_v(ss);
+	coalescedWrite(inner_tmp_v[ss],innerProductD(x_l,y_l));
+    });
+  }
 #else
-  // CPU 
-  typedef decltype(innerProductD(left_v[0],right_v[0])) inner_t;
+  typedef decltype(innerProduct(vobj(),vobj())) inner_t;
   Vector<inner_t> inner_tmp(sites);
   auto inner_tmp_v = &inner_tmp[0];
-  
-  accelerator_for( ss, sites, nsimd,{
-      auto x_l = left_v[ss];
-      auto y_l = right_v[ss];
-      inner_tmp_v[ss]=innerProductD(x_l,y_l);
-  })
-  nrm = TensorRemove(sum(inner_tmp_v,sites));
-#endif
-  grid->GlobalSum(nrm);
+    
+  {
+    autoView( left_v , left, AcceleratorRead);
+    autoView( right_v,right, AcceleratorRead);
 
+    // GPU - SIMT lane compliance...
+    accelerator_for( ss, sites, nsimd,{
+	auto x_l = left_v(ss);
+	auto y_l = right_v(ss);
+	coalescedWrite(inner_tmp_v[ss],innerProduct(x_l,y_l));
+    });
+  }
+#endif
+  // This is in single precision and fails some tests
+  auto anrm = sumD(inner_tmp_v,sites);  
+  nrm = anrm;
   return nrm;
 }
 
+template<class vobj>
+inline ComplexD innerProduct(const Lattice<vobj> &left,const Lattice<vobj> &right) {
+  GridBase *grid = left.Grid();
+  ComplexD nrm = rankInnerProduct(left,right);
+  grid->GlobalSum(nrm);
+  return nrm;
+}
+
+
 /////////////////////////
 // Fast axpby_norm
 // z = a x + b y
@@ -161,21 +308,30 @@ axpby_norm_fast(Lattice<vobj> &z,sobj a,sobj b,const Lattice<vobj> &x,const Latt
   conformable(z,x);
   conformable(x,y);
 
-  typedef typename vobj::scalar_type scalar_type;
-  typedef typename vobj::vector_typeD vector_type;
+  //  typedef typename vobj::vector_typeD vector_type;
   RealD  nrm;
   
   GridBase *grid = x.Grid();
 
-  auto x_v=x.View();
-  auto y_v=y.View();
-  auto z_v=z.View();
-
   const uint64_t nsimd = grid->Nsimd();
   const uint64_t sites = grid->oSites();
   
-#ifdef GRID_NVCC
   // GPU
+  autoView( x_v, x, AcceleratorRead);
+  autoView( y_v, y, AcceleratorRead);
+  autoView( z_v, z, AcceleratorWrite);
+#if 0
+  typedef decltype(innerProductD(x_v[0],y_v[0])) inner_t;
+  Vector<inner_t> inner_tmp(sites);
+  auto inner_tmp_v = &inner_tmp[0];
+
+  accelerator_for( ss, sites, nsimd,{
+      auto tmp = a*x_v(ss)+b*y_v(ss);
+      coalescedWrite(inner_tmp_v[ss],innerProductD(tmp,tmp));
+      coalescedWrite(z_v[ss],tmp);
+  });
+  nrm = real(TensorRemove(sum(inner_tmp_v,sites)));
+#else
   typedef decltype(innerProduct(x_v[0],y_v[0])) inner_t;
   Vector<inner_t> inner_tmp(sites);
   auto inner_tmp_v = &inner_tmp[0];
@@ -185,27 +341,50 @@ axpby_norm_fast(Lattice<vobj> &z,sobj a,sobj b,const Lattice<vobj> &x,const Latt
       coalescedWrite(inner_tmp_v[ss],innerProduct(tmp,tmp));
       coalescedWrite(z_v[ss],tmp);
   });
-
-  nrm = real(TensorRemove(sumD_gpu(inner_tmp_v,sites)));
-#else
-  // CPU 
-  typedef decltype(innerProductD(x_v[0],y_v[0])) inner_t;
-  Vector<inner_t> inner_tmp(sites);
-  auto inner_tmp_v = &inner_tmp[0];
-  
-  accelerator_for( ss, sites, nsimd,{
-      auto tmp = a*x_v(ss)+b*y_v(ss);
-      inner_tmp_v[ss]=innerProductD(tmp,tmp);
-      z_v[ss]=tmp;
-  });
-  // Already promoted to double
-  nrm = real(TensorRemove(sum(inner_tmp_v,sites)));
+  nrm = real(TensorRemove(sumD(inner_tmp_v,sites)));
 #endif
   grid->GlobalSum(nrm);
   return nrm; 
 }
-
  
+template<class vobj> strong_inline void
+innerProductNorm(ComplexD& ip, RealD &nrm, const Lattice<vobj> &left,const Lattice<vobj> &right)
+{
+  conformable(left,right);
+
+  typedef typename vobj::vector_typeD vector_type;
+  Vector<ComplexD> tmp(2);
+
+  GridBase *grid = left.Grid();
+
+  const uint64_t nsimd = grid->Nsimd();
+  const uint64_t sites = grid->oSites();
+
+  // GPU
+  typedef decltype(innerProductD(vobj(),vobj())) inner_t;
+  typedef decltype(innerProductD(vobj(),vobj())) norm_t;
+  Vector<inner_t> inner_tmp(sites);
+  Vector<norm_t>  norm_tmp(sites);
+  auto inner_tmp_v = &inner_tmp[0];
+  auto norm_tmp_v = &norm_tmp[0];
+  {
+    autoView(left_v,left, AcceleratorRead);
+    autoView(right_v,right,AcceleratorRead);
+    accelerator_for( ss, sites, 1,{
+	auto left_tmp = left_v[ss];
+	inner_tmp_v[ss]=innerProductD(left_tmp,right_v[ss]);
+        norm_tmp_v [ss]=innerProductD(left_tmp,left_tmp);
+      });
+  }
+
+  tmp[0] = TensorRemove(sum(inner_tmp_v,sites));
+  tmp[1] = TensorRemove(sum(norm_tmp_v,sites));
+
+  grid->GlobalSumVector(&tmp[0],2); // keep norm Complex -> can use GlobalSumVector
+  ip = tmp[0];
+  nrm = real(tmp[1]);
+}
+
 template<class Op,class T1>
 inline auto sum(const LatticeUnaryExpression<Op,T1> & expr)
   ->typename decltype(expr.op.func(eval(0,expr.arg1)))::scalar_object
@@ -243,6 +422,7 @@ template<class vobj> inline void sliceSum(const Lattice<vobj> &Data,std::vector<
   // But easily avoided by using double precision fields
   ///////////////////////////////////////////////////////
   typedef typename vobj::scalar_object sobj;
+  typedef typename vobj::scalar_object::scalar_type scalar_type;
   GridBase  *grid = Data.Grid();
   assert(grid!=NULL);
 
@@ -271,7 +451,7 @@ template<class vobj> inline void sliceSum(const Lattice<vobj> &Data,std::vector<
 
   // sum over reduced dimension planes, breaking out orthog dir
   // Parallel over orthog direction
-  auto Data_v=Data.View();
+  autoView( Data_v, Data, CpuRead);
   thread_for( r,rd, {
     int so=r*grid->_ostride[orthogdim]; // base offset for start of plane 
     for(int n=0;n<e1;n++){
@@ -301,132 +481,29 @@ template<class vobj> inline void sliceSum(const Lattice<vobj> &Data,std::vector<
   }
   
   // sum over nodes.
-  sobj gsum;
   for(int t=0;t<fd;t++){
     int pt = t/ld; // processor plane
     int lt = t%ld;
     if ( pt == grid->_processor_coor[orthogdim] ) {
-      gsum=lsSum[lt];
+      result[t]=lsSum[lt];
     } else {
-      gsum=Zero();
+      result[t]=Zero();
     }
 
-    grid->GlobalSum(gsum);
-
-    result[t]=gsum;
   }
+  scalar_type * ptr = (scalar_type *) &result[0];
+  int words = fd*sizeof(sobj)/sizeof(scalar_type);
+  grid->GlobalSumVector(ptr, words);
 }
-
-template<class vobj>
-static void mySliceInnerProductVector( std::vector<ComplexD> & result, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int orthogdim)
+template<class vobj> inline
+std::vector<typename vobj::scalar_object> 
+sliceSum(const Lattice<vobj> &Data,int orthogdim)
 {
-  // std::cout << GridLogMessage << "Start mySliceInnerProductVector" << std::endl;
-
-  typedef typename vobj::scalar_type scalar_type;
-  std::vector<scalar_type> lsSum;
-  localSliceInnerProductVector(result, lhs, rhs, lsSum, orthogdim);
-  globalSliceInnerProductVector(result, lhs, lsSum, orthogdim);
-  // std::cout << GridLogMessage << "End mySliceInnerProductVector" << std::endl;
+  std::vector<typename vobj::scalar_object> result;
+  sliceSum(Data,result,orthogdim);
+  return result;
 }
 
-template <class vobj>
-static void localSliceInnerProductVector(std::vector<ComplexD> &result, const Lattice<vobj> &lhs, const Lattice<vobj> &rhs, std::vector<typename vobj::scalar_type> &lsSum, int orthogdim)
-{
-  // std::cout << GridLogMessage << "Start prep" << std::endl;
-  typedef typename vobj::vector_type   vector_type;
-  typedef typename vobj::scalar_type   scalar_type;
-  GridBase  *grid = lhs.Grid();
-  assert(grid!=NULL);
-  conformable(grid,rhs.Grid());
-
-  const int    Nd = grid->_ndimension;
-  const int Nsimd = grid->Nsimd();
-
-  assert(orthogdim >= 0);
-  assert(orthogdim < Nd);
-
-  int fd=grid->_fdimensions[orthogdim];
-  int ld=grid->_ldimensions[orthogdim];
-  int rd=grid->_rdimensions[orthogdim];
-  // std::cout << GridLogMessage << "Start alloc" << std::endl;
-
-  Vector<vector_type> lvSum(rd); // will locally sum vectors first
-  lsSum.resize(ld,scalar_type(0.0));                    // sum across these down to scalars
-  ExtractBuffer<iScalar<scalar_type> > extracted(Nsimd);   // splitting the SIMD  
-  // std::cout << GridLogMessage << "End alloc" << std::endl;
-
-  result.resize(fd); // And then global sum to return the same vector to every node for IO to file
-  for(int r=0;r<rd;r++){
-    lvSum[r]=Zero();
-  }
-
-  int e1=    grid->_slice_nblock[orthogdim];
-  int e2=    grid->_slice_block [orthogdim];
-  int stride=grid->_slice_stride[orthogdim];
-  // std::cout << GridLogMessage << "End prep" << std::endl;
-  // std::cout << GridLogMessage << "Start parallel inner product, _rd = " << rd << std::endl;
-  vector_type vv;
-  auto l_v=lhs.View();
-  auto r_v=rhs.View();
-  thread_for( r,rd,{
-
-    int so=r*grid->_ostride[orthogdim]; // base offset for start of plane 
-
-    for(int n=0;n<e1;n++){
-      for(int b=0;b<e2;b++){
-        int ss = so + n * stride + b;
-        vv = TensorRemove(innerProduct(l_v[ss], r_v[ss]));
-        lvSum[r] = lvSum[r] + vv;
-      }
-    }
-  });
-  // std::cout << GridLogMessage << "End parallel inner product" << std::endl;
-
-  // Sum across simd lanes in the plane, breaking out orthog dir.
-  Coordinate icoor(Nd);
-  for(int rt=0;rt<rd;rt++){
-
-    iScalar<vector_type> temp; 
-    temp._internal = lvSum[rt];
-    extract(temp,extracted);
-
-    for(int idx=0;idx<Nsimd;idx++){
-
-      grid->iCoorFromIindex(icoor,idx);
-
-      int ldx =rt+icoor[orthogdim]*rd;
-
-      lsSum[ldx]=lsSum[ldx]+extracted[idx]._internal;
-
-    }
-  }
-  // std::cout << GridLogMessage << "End sum over simd lanes" << std::endl;
-}
-template <class vobj>
-static void globalSliceInnerProductVector(std::vector<ComplexD> &result, const Lattice<vobj> &lhs, std::vector<typename vobj::scalar_type> &lsSum, int orthogdim)
-{
-  typedef typename vobj::scalar_type scalar_type;
-  GridBase *grid = lhs.Grid();
-  int fd = result.size();
-  int ld = lsSum.size();
-  // sum over nodes.
-  std::vector<scalar_type> gsum;
-  gsum.resize(fd, scalar_type(0.0));
-  // std::cout << GridLogMessage << "Start of gsum[t] creation:" << std::endl;
-  for(int t=0;t<fd;t++){
-    int pt = t/ld; // processor plane
-    int lt = t%ld;
-    if ( pt == grid->_processor_coor[orthogdim] ) {
-      gsum[t]=lsSum[lt];
-    }
-  }
-  // std::cout << GridLogMessage << "End of gsum[t] creation:" << std::endl;
-  // std::cout << GridLogMessage << "Start of GlobalSumVector:" << std::endl;
-  grid->GlobalSumVector(&gsum[0], fd);
-  // std::cout << GridLogMessage << "End of GlobalSumVector:" << std::endl;
-
-  result = gsum;
-}
 template<class vobj>
 static void sliceInnerProductVector( std::vector<ComplexD> & result, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int orthogdim) 
 {
@@ -459,8 +536,8 @@ static void sliceInnerProductVector( std::vector<ComplexD> & result, const Latti
   int e2=    grid->_slice_block [orthogdim];
   int stride=grid->_slice_stride[orthogdim];
 
-  auto lhv=lhs.View();
-  auto rhv=rhs.View();
+  autoView( lhv, lhs, CpuRead);
+  autoView( rhv, rhs, CpuRead);
   thread_for( r,rd,{
 
     int so=r*grid->_ostride[orthogdim]; // base offset for start of plane 
@@ -530,7 +607,8 @@ static void sliceNorm (std::vector<RealD> &sn,const Lattice<vobj> &rhs,int Ortho
 template<class vobj>
 static void sliceMaddVector(Lattice<vobj> &R,std::vector<RealD> &a,const Lattice<vobj> &X,const Lattice<vobj> &Y,
 			    int orthogdim,RealD scale=1.0) 
-{    
+{
+  // perhaps easier to just promote A to a field and use regular madd
   typedef typename vobj::scalar_object sobj;
   typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
@@ -561,20 +639,17 @@ static void sliceMaddVector(Lattice<vobj> &R,std::vector<RealD> &a,const Lattice
     for(int l=0;l<Nsimd;l++){
       grid->iCoorFromIindex(icoor,l);
       int ldx =r+icoor[orthogdim]*rd;
-      scalar_type *as =(scalar_type *)&av;
-      as[l] = scalar_type(a[ldx])*zscale;
+      av.putlane(scalar_type(a[ldx])*zscale,l);
     }
 
     tensor_reduced at; at=av;
 
-    auto Rv=R.View();
-    auto Xv=X.View();
-    auto Yv=Y.View();
-    thread_for_collapse(2, n, e1, {
-      for(int b=0;b<e2;b++){
+    autoView( Rv, R, CpuWrite);
+    autoView( Xv, X, CpuRead);
+    autoView( Yv, Y, CpuRead);
+    thread_for2d( n, e1, b,e2, {
 	int ss= so+n*stride+b;
 	Rv[ss] = at*Xv[ss]+Yv[ss];
-      }
     });
   }
 };
@@ -604,7 +679,6 @@ template<class vobj>
 static void sliceMaddMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<vobj> &X,const Lattice<vobj> &Y,int Orthog,RealD scale=1.0) 
 {    
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   int Nblock = X.Grid()->GlobalDimensions()[Orthog];
@@ -627,9 +701,9 @@ static void sliceMaddMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice
   int nblock=FullGrid->_slice_nblock[Orthog];
   int ostride=FullGrid->_ostride[Orthog];
 
-  auto X_v=X.View();
-  auto Y_v=Y.View();
-  auto R_v=R.View();
+  autoView( X_v, X, CpuRead);
+  autoView( Y_v, Y, CpuRead);
+  autoView( R_v, R, CpuWrite);
   thread_region
   {
     Vector<vobj> s_x(Nblock);
@@ -658,7 +732,6 @@ template<class vobj>
 static void sliceMulMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<vobj> &X,int Orthog,RealD scale=1.0) 
 {    
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   int Nblock = X.Grid()->GlobalDimensions()[Orthog];
@@ -674,13 +747,14 @@ static void sliceMulMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<
   //  int nl=1;
 
   //FIXME package in a convenient iterator
+  // thread_for2d_in_region
   //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];
-  auto R_v = R.View();
-  auto X_v = X.View();
+  autoView( R_v, R, CpuWrite);
+  autoView( X_v, X, CpuRead);
   thread_region
   {
     std::vector<vobj> s_x(Nblock);
@@ -711,7 +785,6 @@ template<class vobj>
 static void sliceInnerProductMatrix(  Eigen::MatrixXcd &mat, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int Orthog) 
 {
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
   
   GridBase *FullGrid  = lhs.Grid();
@@ -738,8 +811,8 @@ static void sliceInnerProductMatrix(  Eigen::MatrixXcd &mat, const Lattice<vobj>
 
   typedef typename vobj::vector_typeD vector_typeD;
 
-  auto lhs_v=lhs.View();
-  auto rhs_v=rhs.View();
+  autoView( lhs_v, lhs, CpuRead);
+  autoView( rhs_v, rhs, CpuRead);
   thread_region
   {
     std::vector<vobj> Left(Nblock);

Grid/lattice/Lattice_reduction_gpu.h

@@ -1,7 +1,14 @@
 NAMESPACE_BEGIN(Grid);
 
-#define WARP_SIZE 32
+#ifdef GRID_HIP
+extern hipDeviceProp_t *gpu_props;
+#define WARP_SIZE 64
+#endif
+#ifdef GRID_CUDA
 extern cudaDeviceProp *gpu_props;
+#define WARP_SIZE 32
+#endif
+
 __device__ unsigned int retirementCount = 0;
 
 template <class Iterator>
@@ -16,23 +23,27 @@ unsigned int nextPow2(Iterator x) {
 }
 
 template <class Iterator>
-void getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator &threads, Iterator &blocks) {
+int getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator &threads, Iterator &blocks) {
   
   int device;
+#ifdef GRID_CUDA
   cudaGetDevice(&device);
+#endif
+#ifdef GRID_HIP
+  hipGetDevice(&device);
+#endif
   
   Iterator warpSize            = gpu_props[device].warpSize;
   Iterator sharedMemPerBlock   = gpu_props[device].sharedMemPerBlock;
   Iterator maxThreadsPerBlock  = gpu_props[device].maxThreadsPerBlock;
   Iterator multiProcessorCount = gpu_props[device].multiProcessorCount;
-  
+  /*  
   std::cout << GridLogDebug << "GPU has:" << std::endl;
   std::cout << GridLogDebug << "\twarpSize            = " << warpSize << std::endl;
   std::cout << GridLogDebug << "\tsharedMemPerBlock   = " << sharedMemPerBlock << std::endl;
   std::cout << GridLogDebug << "\tmaxThreadsPerBlock  = " << maxThreadsPerBlock << std::endl;
-  std::cout << GridLogDebug << "\tmaxThreadsPerBlock  = " << warpSize << std::endl;
   std::cout << GridLogDebug << "\tmultiProcessorCount = " << multiProcessorCount << std::endl;
-  
+  */  
   if (warpSize != WARP_SIZE) {
     std::cout << GridLogError << "The warp size of the GPU in use does not match the warp size set when compiling Grid." << std::endl;
     exit(EXIT_FAILURE);
@@ -40,10 +51,14 @@ void getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator
   
   // let the number of threads in a block be a multiple of 2, starting from warpSize
   threads = warpSize;
+  if ( threads*sizeofsobj > sharedMemPerBlock ) {
+    std::cout << GridLogError << "The object is too large for the shared memory." << std::endl;
+    return 0;
+  }
   while( 2*threads*sizeofsobj < sharedMemPerBlock && 2*threads <= maxThreadsPerBlock ) threads *= 2;
   // keep all the streaming multiprocessors busy
   blocks = nextPow2(multiProcessorCount);
-  
+  return 1;
 }
 
 template <class sobj, class Iterator>
@@ -53,7 +68,7 @@ __device__ void reduceBlock(volatile sobj *sdata, sobj mySum, const Iterator tid
   
   // cannot use overloaded operators for sobj as they are not volatile-qualified
   memcpy((void *)&sdata[tid], (void *)&mySum, sizeof(sobj));
-  __syncwarp();
+  acceleratorSynchronise();
   
   const Iterator VEC = WARP_SIZE;
   const Iterator vid = tid & (VEC-1);
@@ -67,9 +82,9 @@ __device__ void reduceBlock(volatile sobj *sdata, sobj mySum, const Iterator tid
       beta += temp;
       memcpy((void *)&sdata[tid], (void *)&beta, sizeof(sobj));
     }
-    __syncwarp();
+    acceleratorSynchronise();
   }
-  __syncthreads();
+  acceleratorSynchroniseAll();
   
   if (threadIdx.x == 0) {
     beta  = Zero();
@@ -79,7 +94,7 @@ __device__ void reduceBlock(volatile sobj *sdata, sobj mySum, const Iterator tid
     }
     memcpy((void *)&sdata[0], (void *)&beta, sizeof(sobj));
   }
-  __syncthreads();
+  acceleratorSynchroniseAll();
 }
 
 
@@ -147,7 +162,7 @@ __global__ void reduceKernel(const vobj *lat, sobj *buffer, Iterator n) {
     sobj *smem = (sobj *)shmem_pointer;
     
     // wait until all outstanding memory instructions in this thread are finished
-    __threadfence();
+    acceleratorFence();
     
     if (tid==0) {
       unsigned int ticket = atomicInc(&retirementCount, gridDim.x);
@@ -156,8 +171,8 @@ __global__ void reduceKernel(const vobj *lat, sobj *buffer, Iterator n) {
     }
     
     // each thread must read the correct value of amLast
-    __syncthreads();
-    
+    acceleratorSynchroniseAll();
+
     if (amLast) {
       // reduce buffer[0], ..., buffer[gridDim.x-1]
       Iterator i = tid;
@@ -183,7 +198,7 @@ __global__ void reduceKernel(const vobj *lat, sobj *buffer, Iterator n) {
 // Possibly promote to double and sum
 /////////////////////////////////////////////////////////////////////////////////////////////////////////
 template <class vobj>
-inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites) 
+inline typename vobj::scalar_objectD sumD_gpu_small(const vobj *lat, Integer osites) 
 {
   typedef typename vobj::scalar_objectD sobj;
   typedef decltype(lat) Iterator;
@@ -192,23 +207,77 @@ inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites)
   Integer size = osites*nsimd;
 
   Integer numThreads, numBlocks;
-  getNumBlocksAndThreads(size, sizeof(sobj), numThreads, numBlocks);
-  Integer smemSize = numThreads * sizeof(sobj);
+  int ok = getNumBlocksAndThreads(size, sizeof(sobj), numThreads, numBlocks);
+  assert(ok);
 
+  Integer smemSize = numThreads * sizeof(sobj);
+  // Move out of UVM
+  // Turns out I had messed up the synchronise after move to compute stream
+  // as running this on the default stream fools the synchronise
+#undef UVM_BLOCK_BUFFER  
+#ifndef UVM_BLOCK_BUFFER  
+  commVector<sobj> buffer(numBlocks);
+  sobj *buffer_v = &buffer[0];
+  sobj result;
+  reduceKernel<<< numBlocks, numThreads, smemSize, computeStream >>>(lat, buffer_v, size);
+  accelerator_barrier();
+  acceleratorCopyFromDevice(buffer_v,&result,sizeof(result));
+#else
   Vector<sobj> buffer(numBlocks);
   sobj *buffer_v = &buffer[0];
-  
-  reduceKernel<<< numBlocks, numThreads, smemSize >>>(lat, buffer_v, size);
-  cudaDeviceSynchronize();
-  
-  cudaError err = cudaGetLastError();
-  if ( cudaSuccess != err ) {
-    printf("Cuda error %s\n",cudaGetErrorString( err ));
-    exit(0);
-  }
-  auto result = buffer_v[0];
+  sobj result;
+  reduceKernel<<< numBlocks, numThreads, smemSize, computeStream >>>(lat, buffer_v, size);
+  accelerator_barrier();
+  result = *buffer_v;
+#endif
   return result;
 }
+
+template <class vobj>
+inline typename vobj::scalar_objectD sumD_gpu_large(const vobj *lat, Integer osites)
+{
+  typedef typename vobj::vector_type  vector;
+  typedef typename vobj::scalar_typeD scalarD;
+  typedef typename vobj::scalar_objectD sobj;
+  sobj ret;
+  scalarD *ret_p = (scalarD *)&ret;
+  
+  const int words = sizeof(vobj)/sizeof(vector);
+
+  Vector<vector> buffer(osites);
+  vector *dat = (vector *)lat;
+  vector *buf = &buffer[0];
+  iScalar<vector> *tbuf =(iScalar<vector> *)  &buffer[0];
+  for(int w=0;w<words;w++) {
+
+    accelerator_for(ss,osites,1,{
+	buf[ss] = dat[ss*words+w];
+      });
+      
+    ret_p[w] = sumD_gpu_small(tbuf,osites);
+  }
+  return ret;
+}
+
+template <class vobj>
+inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites)
+{
+  typedef typename vobj::scalar_objectD sobj;
+  sobj ret;
+  
+  Integer nsimd= vobj::Nsimd();
+  Integer size = osites*nsimd;
+  Integer numThreads, numBlocks;
+  int ok = getNumBlocksAndThreads(size, sizeof(sobj), numThreads, numBlocks);
+  
+  if ( ok ) {
+    ret = sumD_gpu_small(lat,osites);
+  } else {
+    ret = sumD_gpu_large(lat,osites);
+  }
+  return ret;
+}
+
 /////////////////////////////////////////////////////////////////////////////////////////////////////////
 // Return as same precision as input performing reduction in double precision though
 /////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -221,6 +290,13 @@ inline typename vobj::scalar_object sum_gpu(const vobj *lat, Integer osites)
   return result;
 }
 
-
+template <class vobj>
+inline typename vobj::scalar_object sum_gpu_large(const vobj *lat, Integer osites)
+{
+  typedef typename vobj::scalar_object sobj;
+  sobj result;
+  result = sumD_gpu_large(lat,osites);
+  return result;
+}
 
 NAMESPACE_END(Grid);

Grid/lattice/Lattice_reduction_sycl.h

@@ -0,0 +1,125 @@
+NAMESPACE_BEGIN(Grid);
+
+/////////////////////////////////////////////////////////////////////////////////////////////////////////
+// Possibly promote to double and sum
+/////////////////////////////////////////////////////////////////////////////////////////////////////////
+
+template <class vobj>
+inline typename vobj::scalar_objectD sumD_gpu_tensor(const vobj *lat, Integer osites) 
+{
+  typedef typename vobj::scalar_object sobj;
+  typedef typename vobj::scalar_objectD sobjD;
+  sobj *mysum =(sobj *) malloc_shared(sizeof(sobj),*theGridAccelerator);
+  sobj identity; zeroit(identity);
+  sobj ret ; 
+
+  Integer nsimd= vobj::Nsimd();
+  
+  theGridAccelerator->submit([&](cl::sycl::handler &cgh) {
+     auto Reduction = cl::sycl::reduction(mysum,identity,std::plus<>());
+     cgh.parallel_for(cl::sycl::range<1>{osites},
+		      Reduction,
+		      [=] (cl::sycl::id<1> item, auto &sum) {
+      auto osite   = item[0];
+      sum +=Reduce(lat[osite]);
+     });
+   });
+  theGridAccelerator->wait();
+  ret = mysum[0];
+  free(mysum,*theGridAccelerator);
+  sobjD dret; convertType(dret,ret);
+  return dret;
+}
+
+template <class vobj>
+inline typename vobj::scalar_objectD sumD_gpu_large(const vobj *lat, Integer osites)
+{
+  return sumD_gpu_tensor(lat,osites);
+}
+template <class vobj>
+inline typename vobj::scalar_objectD sumD_gpu_small(const vobj *lat, Integer osites)
+{
+  return sumD_gpu_large(lat,osites);
+}
+
+template <class vobj>
+inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites)
+{
+  return sumD_gpu_large(lat,osites);
+}
+
+/////////////////////////////////////////////////////////////////////////////////////////////////////////
+// Return as same precision as input performing reduction in double precision though
+/////////////////////////////////////////////////////////////////////////////////////////////////////////
+template <class vobj>
+inline typename vobj::scalar_object sum_gpu(const vobj *lat, Integer osites) 
+{
+  typedef typename vobj::scalar_object sobj;
+  sobj result;
+  result = sumD_gpu(lat,osites);
+  return result;
+}
+
+template <class vobj>
+inline typename vobj::scalar_object sum_gpu_large(const vobj *lat, Integer osites)
+{
+  typedef typename vobj::scalar_object sobj;
+  sobj result;
+  result = sumD_gpu_large(lat,osites);
+  return result;
+}
+
+NAMESPACE_END(Grid);
+
+/*
+template<class Double> Double svm_reduce(Double *vec,uint64_t L)
+{
+  Double sumResult; zeroit(sumResult);
+  Double *d_sum =(Double *)cl::sycl::malloc_shared(sizeof(Double),*theGridAccelerator);
+  Double identity;  zeroit(identity);
+  theGridAccelerator->submit([&](cl::sycl::handler &cgh) {
+     auto Reduction = cl::sycl::reduction(d_sum,identity,std::plus<>());
+     cgh.parallel_for(cl::sycl::range<1>{L},
+		      Reduction,
+		      [=] (cl::sycl::id<1> index, auto &sum) {
+	 sum +=vec[index];
+     });
+   });
+  theGridAccelerator->wait();
+  Double ret = d_sum[0];
+  free(d_sum,*theGridAccelerator);
+  std::cout << " svm_reduce finished "<<L<<" sites sum = " << ret <<std::endl;
+  return ret;
+}
+
+template <class vobj>
+inline typename vobj::scalar_objectD sumD_gpu_repack(const vobj *lat, Integer osites)
+{
+  typedef typename vobj::vector_type  vector;
+  typedef typename vobj::scalar_type  scalar;
+
+  typedef typename vobj::scalar_typeD scalarD;
+  typedef typename vobj::scalar_objectD sobjD;
+
+  sobjD ret;
+  scalarD *ret_p = (scalarD *)&ret;
+  
+  const int nsimd = vobj::Nsimd();
+  const int words = sizeof(vobj)/sizeof(vector);
+
+  Vector<scalar> buffer(osites*nsimd);
+  scalar *buf = &buffer[0];
+  vector *dat = (vector *)lat;
+
+  for(int w=0;w<words;w++) {
+
+    accelerator_for(ss,osites,nsimd,{
+	int lane = acceleratorSIMTlane(nsimd);
+	buf[ss*nsimd+lane] = dat[ss*words+w].getlane(lane);
+    });
+    //Precision change at this point is to late to gain precision
+    ret_p[w] = svm_reduce(buf,nsimd*osites);
+  }
+  return ret;
+}
+*/

Grid/lattice/Lattice_rng.h

@@ -375,7 +375,7 @@ public:
     int osites = _grid->oSites();  // guaranteed to be <= l.Grid()->oSites() by a factor multiplicity
     int words  = sizeof(scalar_object) / sizeof(scalar_type);
 
-    auto l_v = l.View();
+    autoView(l_v, l, CpuWrite);
     thread_for( ss, osites, {
       ExtractBuffer<scalar_object> buf(Nsimd);
       for (int m = 0; m < multiplicity; m++) {  // Draw from same generator multiplicity times
@@ -424,9 +424,33 @@ public:
     // MT implementation does not implement fast discard even though
     // in principle this is possible
     ////////////////////////////////////////////////
+#if 1
+    thread_for( lidx, _grid->lSites(), {
 
+	int gidx;
+	int o_idx;
+	int i_idx;
+	int rank;
+	Coordinate pcoor;
+	Coordinate lcoor;
+	Coordinate gcoor;
+	_grid->LocalIndexToLocalCoor(lidx,lcoor);
+	pcoor=_grid->ThisProcessorCoor();
+	_grid->ProcessorCoorLocalCoorToGlobalCoor(pcoor,lcoor,gcoor);
+	_grid->GlobalCoorToGlobalIndex(gcoor,gidx);
+
+	_grid->GlobalCoorToRankIndex(rank,o_idx,i_idx,gcoor);
+
+	assert(rank == _grid->ThisRank() );
+	
+	int l_idx=generator_idx(o_idx,i_idx);
+	_generators[l_idx] = master_engine;
+	Skip(_generators[l_idx],gidx); // Skip to next RNG sequence
+    });
+#else
     // Everybody loops over global volume.
     thread_for( gidx, _grid->_gsites, {
+
 	// Where is it?
 	int rank;
 	int o_idx;
@@ -443,6 +467,7 @@ public:
 	  Skip(_generators[l_idx],gidx); // Skip to next RNG sequence
 	}
     });
+#endif
 #else 
     ////////////////////////////////////////////////////////////////
     // Machine and thread decomposition dependent seeding is efficient
@@ -461,8 +486,8 @@ public:
     }
 
     {
-      // Obtain one reseeded generator per thread
-      int Nthread = GridThread::GetThreads();
+      // Obtain one reseeded generator per thread      
+      int Nthread = 32; // Hardwire a good level or parallelism
       std::vector<RngEngine> seeders(Nthread);
       for(int t=0;t<Nthread;t++){
 	seeders[t] = Reseed(master_engine);

Grid/lattice/Lattice_trace.h

@@ -37,17 +37,19 @@ NAMESPACE_BEGIN(Grid);
 ////////////////////////////////////////////////////////////////////////////////////////////////////
 // Trace
 ////////////////////////////////////////////////////////////////////////////////////////////////////
+/*
 template<class vobj>
 inline auto trace(const Lattice<vobj> &lhs)  -> Lattice<decltype(trace(vobj()))>
 {
   Lattice<decltype(trace(vobj()))> ret(lhs.Grid());
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
+  autoView(ret_v , ret, AcceleratorWrite);
+  autoView(lhs_v , lhs, AcceleratorRead);
   accelerator_for( ss, lhs_v.size(), vobj::Nsimd(), {
     coalescedWrite(ret_v[ss], trace(lhs_v(ss)));
   });
   return ret;
 };
+*/
     
 ////////////////////////////////////////////////////////////////////////////////////////////////////
 // Trace Index level dependent operation
@@ -56,8 +58,8 @@ template<int Index,class vobj>
 inline auto TraceIndex(const Lattice<vobj> &lhs) -> Lattice<decltype(traceIndex<Index>(vobj()))>
 {
   Lattice<decltype(traceIndex<Index>(vobj()))> ret(lhs.Grid());
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
+  autoView( ret_v , ret, AcceleratorWrite);
+  autoView( lhs_v , lhs, AcceleratorRead);
   accelerator_for( ss, lhs_v.size(), vobj::Nsimd(), {
     coalescedWrite(ret_v[ss], traceIndex<Index>(lhs_v(ss)));
   });

Grid/lattice/Lattice_transpose.h

@@ -38,17 +38,19 @@ NAMESPACE_BEGIN(Grid);
 ////////////////////////////////////////////////////////////////////////////////////////////////////
 // Transpose
 ////////////////////////////////////////////////////////////////////////////////////////////////////
+/*
 template<class vobj>
 inline Lattice<vobj> transpose(const Lattice<vobj> &lhs){
   Lattice<vobj> ret(lhs.Grid());
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
+  autoView( ret_v, ret, AcceleratorWrite);
+  autoView( lhs_v, lhs, AcceleratorRead);
   accelerator_for(ss,lhs_v.size(),vobj::Nsimd(),{
     coalescedWrite(ret_v[ss], transpose(lhs_v(ss)));
   });
   return ret;
 };
-    
+*/    
+
 ////////////////////////////////////////////////////////////////////////////////////////////////////
 // Index level dependent transpose
 ////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -56,8 +58,8 @@ template<int Index,class vobj>
 inline auto TransposeIndex(const Lattice<vobj> &lhs) -> Lattice<decltype(transposeIndex<Index>(vobj()))>
 {
   Lattice<decltype(transposeIndex<Index>(vobj()))> ret(lhs.Grid());
-  auto ret_v = ret.View();
-  auto lhs_v = lhs.View();
+  autoView( ret_v, ret, AcceleratorWrite);
+  autoView( lhs_v, lhs, AcceleratorRead);
   accelerator_for(ss,lhs_v.size(),vobj::Nsimd(),{
     coalescedWrite(ret_v[ss] , transposeIndex<Index>(lhs_v(ss)));
   });

Grid/lattice/Lattice_unary.h

@@ -35,8 +35,8 @@ NAMESPACE_BEGIN(Grid);
 
 template<class obj> Lattice<obj> pow(const Lattice<obj> &rhs_i,RealD y){
   Lattice<obj> ret_i(rhs_i.Grid());
-  auto rhs = rhs_i.View();
-  auto ret = ret_i.View();
+  autoView( rhs, rhs_i, AcceleratorRead);
+  autoView( ret, ret_i, AcceleratorWrite);
   ret.Checkerboard() = rhs.Checkerboard();
   accelerator_for(ss,rhs.size(),1,{
       ret[ss]=pow(rhs[ss],y);
@@ -45,8 +45,8 @@ template<class obj> Lattice<obj> pow(const Lattice<obj> &rhs_i,RealD y){
 }
 template<class obj> Lattice<obj> mod(const Lattice<obj> &rhs_i,Integer y){
   Lattice<obj> ret_i(rhs_i.Grid());
-  auto rhs = rhs_i.View();
-  auto ret = ret_i.View();
+  autoView( rhs , rhs_i, AcceleratorRead);
+  autoView( ret , ret_i, AcceleratorWrite);
   ret.Checkerboard() = rhs.Checkerboard();
   accelerator_for(ss,rhs.size(),obj::Nsimd(),{
     coalescedWrite(ret[ss],mod(rhs(ss),y));
@@ -56,8 +56,8 @@ template<class obj> Lattice<obj> mod(const Lattice<obj> &rhs_i,Integer y){
 
 template<class obj> Lattice<obj> div(const Lattice<obj> &rhs_i,Integer y){
   Lattice<obj> ret_i(rhs_i.Grid());
-  auto ret = ret_i.View();
-  auto rhs = rhs_i.View();
+  autoView( ret , ret_i, AcceleratorWrite);
+  autoView( rhs , rhs_i, AcceleratorRead);
   ret.Checkerboard() = rhs_i.Checkerboard();
   accelerator_for(ss,rhs.size(),obj::Nsimd(),{
     coalescedWrite(ret[ss],div(rhs(ss),y));
@@ -67,8 +67,8 @@ template<class obj> Lattice<obj> div(const Lattice<obj> &rhs_i,Integer y){
 
 template<class obj> Lattice<obj> expMat(const Lattice<obj> &rhs_i, RealD alpha, Integer Nexp = DEFAULT_MAT_EXP){
   Lattice<obj> ret_i(rhs_i.Grid());
-  auto rhs = rhs_i.View();
-  auto ret = ret_i.View();
+  autoView( rhs , rhs_i, AcceleratorRead);
+  autoView( ret , ret_i, AcceleratorWrite);
   ret.Checkerboard() = rhs.Checkerboard();
   accelerator_for(ss,rhs.size(),obj::Nsimd(),{
     coalescedWrite(ret[ss],Exponentiate(rhs(ss),alpha, Nexp));

Grid/lattice/Lattice_view.h

@@ -0,0 +1,173 @@
+#pragma once
+NAMESPACE_BEGIN(Grid);
+///////////////////////////////////////////////////////////////////
+// Base class which can be used by traits to pick up behaviour
+///////////////////////////////////////////////////////////////////
+class LatticeBase {};
+
+/////////////////////////////////////////////////////////////////////////////////////////
+// Conformable checks; same instance of Grid required
+/////////////////////////////////////////////////////////////////////////////////////////
+void accelerator_inline conformable(GridBase *lhs,GridBase *rhs)
+{
+  assert(lhs == rhs);
+}
+
+////////////////////////////////////////////////////////////////////////////
+// Minimal base class containing only data valid to access from accelerator
+// _odata will be a managed pointer in CUDA
+////////////////////////////////////////////////////////////////////////////
+// Force access to lattice through a view object.
+// prevents writing of code that will not offload to GPU, but perhaps annoyingly
+// strict since host could could in principle direct access through the lattice object
+// Need to decide programming model.
+#define LATTICE_VIEW_STRICT
+template<class vobj> class LatticeAccelerator : public LatticeBase
+{
+protected:
+  //public:
+  GridBase *_grid;
+  int checkerboard;
+  vobj     *_odata;    // A managed pointer
+  uint64_t _odata_size;    
+  ViewAdvise advise;
+public:
+  accelerator_inline LatticeAccelerator() : checkerboard(0), _odata(nullptr), _odata_size(0), _grid(nullptr), advise(AdviseDefault) { }; 
+  accelerator_inline uint64_t oSites(void) const { return _odata_size; };
+  accelerator_inline int  Checkerboard(void) const { return checkerboard; };
+  accelerator_inline int &Checkerboard(void) { return this->checkerboard; }; // can assign checkerboard on a container, not a view
+  accelerator_inline ViewAdvise Advise(void) const { return advise; };
+  accelerator_inline ViewAdvise &Advise(void) { return this->advise; }; // can assign advise on a container, not a view
+  accelerator_inline void Conformable(GridBase * &grid) const
+  { 
+    if (grid) conformable(grid, _grid);
+    else      grid = _grid;
+  };
+  // Host only
+  GridBase * getGrid(void) const { return _grid; };
+};
+
+/////////////////////////////////////////////////////////////////////////////////////////
+// A View class which provides accessor to the data.
+// This will be safe to call from accelerator_for and is trivially copy constructible
+// The copy constructor for this will need to be used by device lambda functions
+/////////////////////////////////////////////////////////////////////////////////////////
+template<class vobj> 
+class LatticeView : public LatticeAccelerator<vobj>
+{
+public:
+  // Rvalue
+  ViewMode mode;
+  void * cpu_ptr;
+#ifdef GRID_SIMT
+  accelerator_inline const typename vobj::scalar_object operator()(size_t i) const { 
+    return coalescedRead(this->_odata[i]); 
+  }
+#else 
+  accelerator_inline const vobj & operator()(size_t i) const { return this->_odata[i]; }
+#endif
+
+#if 1
+  //  accelerator_inline const vobj & operator[](size_t i) const { return this->_odata[i]; };
+  accelerator_inline vobj       & operator[](size_t i) const { return this->_odata[i]; };
+#else
+  accelerator_inline const vobj & operator[](size_t i) const { return this->_odata[i]; };
+  accelerator_inline vobj       & operator[](size_t i)       { return this->_odata[i]; };
+#endif
+  
+  accelerator_inline uint64_t begin(void) const { return 0;};
+  accelerator_inline uint64_t end(void)   const { return this->_odata_size; };
+  accelerator_inline uint64_t size(void)  const { return this->_odata_size; };
+
+  LatticeView(const LatticeAccelerator<vobj> &refer_to_me) : LatticeAccelerator<vobj> (refer_to_me){}
+  LatticeView(const LatticeView<vobj> &refer_to_me) = default; // Trivially copyable
+  LatticeView(const LatticeAccelerator<vobj> &refer_to_me,ViewMode mode) : LatticeAccelerator<vobj> (refer_to_me)
+  {
+    this->ViewOpen(mode);
+  }
+
+  // Host functions
+  void ViewOpen(ViewMode mode)
+  { // Translate the pointer, could save a copy. Could use a "Handle" and not save _odata originally in base
+    //    std::cout << "View Open"<<std::hex<<this->_odata<<std::dec <<std::endl;
+    this->cpu_ptr = (void *)this->_odata;
+    this->mode    = mode;
+    this->_odata  =(vobj *)
+      MemoryManager::ViewOpen(this->cpu_ptr,
+				this->_odata_size*sizeof(vobj),
+				mode,
+				this->advise);    
+  }
+  void ViewClose(void)
+  { // Inform the manager
+    //    std::cout << "View Close"<<std::hex<<this->cpu_ptr<<std::dec <<std::endl;
+    MemoryManager::ViewClose(this->cpu_ptr,this->mode);    
+  }
+
+};
+// Little autoscope assister
+template<class View> 
+class ViewCloser
+{
+  View v;  // Take a copy of view and call view close when I go out of scope automatically
+ public:
+  ViewCloser(View &_v) : v(_v) {};
+  ~ViewCloser() { v.ViewClose(); }
+};
+
+#define autoView(l_v,l,mode)				\
+	  auto l_v = l.View(mode);			\
+	  ViewCloser<decltype(l_v)> _autoView##l_v(l_v);
+
+/////////////////////////////////////////////////////////////////////////////////////////
+// Lattice expression types used by ET to assemble the AST
+// 
+// Need to be able to detect code paths according to the whether a lattice object or not
+// so introduce some trait type things
+/////////////////////////////////////////////////////////////////////////////////////////
+
+class LatticeExpressionBase {};
+
+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<class T, bool isLattice> struct ViewMapBase { typedef T Type; };
+template<class T>                 struct ViewMapBase<T,true> { typedef LatticeView<typename T::vector_object> Type; };
+template<class T> using ViewMap = ViewMapBase<T,std::is_base_of<LatticeBase, T>::value >;
+
+template <typename Op, typename _T1>                           
+class LatticeUnaryExpression : public  LatticeExpressionBase 
+{
+public:
+  typedef typename ViewMap<_T1>::Type T1;
+  Op op;
+  T1 arg1;
+  LatticeUnaryExpression(Op _op,const _T1 &_arg1) : op(_op), arg1(_arg1) {};
+};
+
+template <typename Op, typename _T1, typename _T2>              
+class LatticeBinaryExpression : public LatticeExpressionBase 
+{
+public:
+  typedef typename ViewMap<_T1>::Type T1;
+  typedef typename ViewMap<_T2>::Type T2;
+  Op op;
+  T1 arg1;
+  T2 arg2;
+  LatticeBinaryExpression(Op _op,const _T1 &_arg1,const _T2 &_arg2) : op(_op), arg1(_arg1), arg2(_arg2) {};
+};
+
+template <typename Op, typename _T1, typename _T2, typename _T3> 
+class LatticeTrinaryExpression : public LatticeExpressionBase 
+{
+public:
+  typedef typename ViewMap<_T1>::Type T1;
+  typedef typename ViewMap<_T2>::Type T2;
+  typedef typename ViewMap<_T3>::Type T3;
+  Op op;
+  T1 arg1;
+  T2 arg2;
+  T3 arg3;
+  LatticeTrinaryExpression(Op _op,const _T1 &_arg1,const _T2 &_arg2,const _T3 &_arg3) : op(_op), arg1(_arg1), arg2(_arg2), arg3(_arg3) {};
+};
+NAMESPACE_END(Grid);

Grid/lattice/Lattice_where.h

@@ -43,7 +43,7 @@ inline void whereWolf(Lattice<vobj> &ret,const Lattice<iobj> &predicate,Lattice<
   conformable(iftrue,predicate);
   conformable(iftrue,ret);
 
-  GridBase *grid=iftrue._grid;
+  GridBase *grid=iftrue.Grid();
 
   typedef typename vobj::scalar_object scalar_object;
   typedef typename vobj::scalar_type scalar_type;
@@ -52,22 +52,23 @@ inline void whereWolf(Lattice<vobj> &ret,const Lattice<iobj> &predicate,Lattice<
 
   const int Nsimd = grid->Nsimd();
 
-  std::vector<Integer> mask(Nsimd);
-  std::vector<scalar_object> truevals (Nsimd);
-  std::vector<scalar_object> falsevals(Nsimd);
-
-  parallel_for(int ss=0;ss<iftrue._grid->oSites(); ss++){
-
-    extract(iftrue._odata[ss]   ,truevals);
-    extract(iffalse._odata[ss]  ,falsevals);
-    extract<vInteger,Integer>(TensorRemove(predicate._odata[ss]),mask);
-
-    for(int s=0;s<Nsimd;s++){
-      if (mask[s]) falsevals[s]=truevals[s];
+  autoView(iftrue_v,iftrue,CpuRead);
+  autoView(iffalse_v,iffalse,CpuRead);
+  autoView(predicate_v,predicate,CpuRead);
+  autoView(ret_v,ret,CpuWrite);
+  Integer NN= grid->oSites();
+  thread_for(ss,NN,{
+    Integer mask;
+    scalar_object trueval;
+    scalar_object falseval;
+    for(int l=0;l<Nsimd;l++){
+      trueval =extractLane(l,iftrue_v[ss]);
+      falseval=extractLane(l,iffalse_v[ss]);
+      mask    =extractLane(l,predicate_v[ss]);
+      if (mask) falseval=trueval;
+      insertLane(l,ret_v[ss],falseval);
     }
-
-    merge(ret._odata[ss],falsevals);
-  }
+  });
 }
 
 template<class vobj,class iobj>
@@ -76,9 +77,9 @@ inline Lattice<vobj> whereWolf(const Lattice<iobj> &predicate,Lattice<vobj> &ift
   conformable(iftrue,iffalse);
   conformable(iftrue,predicate);
 
-  Lattice<vobj> ret(iftrue._grid);
+  Lattice<vobj> ret(iftrue.Grid());
 
-  where(ret,predicate,iftrue,iffalse);
+  whereWolf(ret,predicate,iftrue,iffalse);
 
   return ret;
 }

Grid/lattice/PaddedCell.h

@@ -0,0 +1,136 @@
+/*************************************************************************************
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/lattice/PaddedCell.h
+
+    Copyright (C) 2019
+
+Author: Peter Boyle pboyle@bnl.gov
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+class PaddedCell {
+public:
+  GridCartesian * unpadded_grid;
+  int dims;
+  int depth;
+  std::vector<GridCartesian *> grids;
+  ~PaddedCell()
+  {
+    DeleteGrids();
+  }
+  PaddedCell(int _depth,GridCartesian *_grid)
+  {
+    unpadded_grid = _grid;
+    depth=_depth;
+    dims=_grid->Nd();
+    AllocateGrids();
+    Coordinate local     =unpadded_grid->LocalDimensions();
+    for(int d=0;d<dims;d++){
+      assert(local[d]>=depth);
+    }
+  }
+  void DeleteGrids(void)
+  {
+    for(int d=0;d<grids.size();d++){
+      delete grids[d];
+    }
+    grids.resize(0);
+  };
+  void AllocateGrids(void)
+  {
+    Coordinate local     =unpadded_grid->LocalDimensions();
+    Coordinate simd      =unpadded_grid->_simd_layout;
+    Coordinate processors=unpadded_grid->_processors;
+    Coordinate plocal    =unpadded_grid->LocalDimensions();
+    Coordinate global(dims);
+
+    // expand up one dim at a time
+    for(int d=0;d<dims;d++){
+
+      plocal[d] += 2*depth; 
+
+      for(int d=0;d<dims;d++){
+	global[d] = plocal[d]*processors[d];
+      }
+
+      grids.push_back(new GridCartesian(global,simd,processors));
+    }
+  };
+  template<class vobj>
+  inline Lattice<vobj> Extract(Lattice<vobj> &in)
+  {
+    Lattice<vobj> out(unpadded_grid);
+
+    Coordinate local     =unpadded_grid->LocalDimensions();
+    Coordinate fll(dims,depth); // depends on the MPI spread
+    Coordinate tll(dims,0); // depends on the MPI spread
+    localCopyRegion(in,out,fll,tll,local);
+    return out;
+  }
+  template<class vobj>
+  inline Lattice<vobj> Exchange(Lattice<vobj> &in)
+  {
+    GridBase *old_grid = in.Grid();
+    int dims = old_grid->Nd();
+    Lattice<vobj> tmp = in;
+    for(int d=0;d<dims;d++){
+      tmp = Expand(d,tmp); // rvalue && assignment
+    }
+    return tmp;
+  }
+  // expand up one dim at a time
+  template<class vobj>
+  inline Lattice<vobj> Expand(int dim,Lattice<vobj> &in)
+  {
+    GridBase *old_grid = in.Grid();
+    GridCartesian *new_grid = grids[dim];//These are new grids
+    Lattice<vobj>  padded(new_grid);
+    Lattice<vobj> shifted(old_grid);    
+    Coordinate local     =old_grid->LocalDimensions();
+    Coordinate plocal    =new_grid->LocalDimensions();
+    if(dim==0) conformable(old_grid,unpadded_grid);
+    else       conformable(old_grid,grids[dim-1]);
+
+    std::cout << " dim "<<dim<<" local "<<local << " padding to "<<plocal<<std::endl;
+    // Middle bit
+    for(int x=0;x<local[dim];x++){
+      InsertSliceLocal(in,padded,x,depth+x,dim);
+    }
+    // High bit
+    shifted = Cshift(in,dim,depth);
+    for(int x=0;x<depth;x++){
+      InsertSliceLocal(shifted,padded,local[dim]-depth+x,depth+local[dim]+x,dim);
+    }
+    // Low bit
+    shifted = Cshift(in,dim,-depth);
+    for(int x=0;x<depth;x++){
+      InsertSliceLocal(shifted,padded,x,x,dim);
+    }
+    return padded;
+  }
+
+};
+ 
+
+NAMESPACE_END(Grid);
+

Grid/log/Log.cc

@@ -65,29 +65,40 @@ GridLogger GridLogSolver (1, "Solver", GridLogColours, "NORMAL");
 GridLogger GridLogError  (1, "Error" , GridLogColours, "RED");
 GridLogger GridLogWarning(1, "Warning", GridLogColours, "YELLOW");
 GridLogger GridLogMessage(1, "Message", GridLogColours, "NORMAL");
+GridLogger GridLogMemory (1, "Memory", GridLogColours, "NORMAL");
+GridLogger GridLogTracing(1, "Tracing", GridLogColours, "NORMAL");
 GridLogger GridLogDebug  (1, "Debug", GridLogColours, "PURPLE");
 GridLogger GridLogPerformance(1, "Performance", GridLogColours, "GREEN");
+GridLogger GridLogDslash     (1, "Dslash", GridLogColours, "BLUE");
 GridLogger GridLogIterative  (1, "Iterative", GridLogColours, "BLUE");
 GridLogger GridLogIntegrator (1, "Integrator", GridLogColours, "BLUE");
+GridLogger GridLogHMC (1, "HMC", GridLogColours, "BLUE");
 
 void GridLogConfigure(std::vector<std::string> &logstreams) {
-  GridLogError.Active(0);
+  GridLogError.Active(1);
   GridLogWarning.Active(0);
   GridLogMessage.Active(1); // at least the messages should be always on
+  GridLogMemory.Active(0); 
+  GridLogTracing.Active(0); 
   GridLogIterative.Active(0);
   GridLogDebug.Active(0);
   GridLogPerformance.Active(0);
+  GridLogDslash.Active(0);
   GridLogIntegrator.Active(1);
   GridLogColours.Active(0);
+  GridLogHMC.Active(1);
 
   for (int i = 0; i < logstreams.size(); i++) {
-    if (logstreams[i] == std::string("Error"))       GridLogError.Active(1);
+    if (logstreams[i] == std::string("Tracing"))     GridLogTracing.Active(1);
+    if (logstreams[i] == std::string("Memory"))      GridLogMemory.Active(1);
     if (logstreams[i] == std::string("Warning"))     GridLogWarning.Active(1);
     if (logstreams[i] == std::string("NoMessage"))   GridLogMessage.Active(0);
     if (logstreams[i] == std::string("Iterative"))   GridLogIterative.Active(1);
     if (logstreams[i] == std::string("Debug"))       GridLogDebug.Active(1);
     if (logstreams[i] == std::string("Performance")) GridLogPerformance.Active(1);
-    if (logstreams[i] == std::string("Integrator"))  GridLogIntegrator.Active(1);
+    if (logstreams[i] == std::string("Dslash"))      GridLogDslash.Active(1);
+    if (logstreams[i] == std::string("NoIntegrator"))GridLogIntegrator.Active(0);
+    if (logstreams[i] == std::string("NoHMC"))       GridLogHMC.Active(0);
     if (logstreams[i] == std::string("Colours"))     GridLogColours.Active(1);
   }
 }

Grid/log/Log.h

@@ -130,13 +130,16 @@ public:
   friend std::ostream& operator<< (std::ostream& stream, Logger& log){
 
     if ( log.active ) {
+      std::ios_base::fmtflags f(stream.flags());
+
       stream << log.background()<<  std::left;
       if (log.topWidth > 0)
       {
         stream << std::setw(log.topWidth);
       }
       stream << log.topName << log.background()<< " : ";
-      stream << log.colour() <<  std::left;
+      //      stream << log.colour() <<  std::left;
+      stream <<  std::left;
       if (log.chanWidth > 0)
       {
         stream << std::setw(log.chanWidth);
@@ -151,7 +154,9 @@ public:
 	stream << log.evidence()
 	       << now	       << log.background() << " : " ;
       }
-      stream << log.colour();
+      //      stream << log.colour();
+      stream <<  std::right;
+      stream.flags(f);
       return stream;
     } else { 
       return devnull;
@@ -176,8 +181,12 @@ extern GridLogger GridLogWarning;
 extern GridLogger GridLogMessage;
 extern GridLogger GridLogDebug  ;
 extern GridLogger GridLogPerformance;
+extern GridLogger GridLogDslash;
 extern GridLogger GridLogIterative  ;
 extern GridLogger GridLogIntegrator  ;
+extern GridLogger GridLogHMC;
+extern GridLogger GridLogMemory;
+extern GridLogger GridLogTracing;
 extern Colours    GridLogColours;
 
 std::string demangle(const char* name) ;

Grid/parallelIO/BinaryIO.cc

@@ -1,3 +1,4 @@
 #include <Grid/GridCore.h>
 
-int Grid::BinaryIO::latticeWriteMaxRetry = -1;
+int                    Grid::BinaryIO::latticeWriteMaxRetry = -1;
+Grid::BinaryIO::IoPerf Grid::BinaryIO::lastPerf;

Grid/parallelIO/BinaryIO.h

@@ -79,6 +79,13 @@ inline void removeWhitespace(std::string &key)
 ///////////////////////////////////////////////////////////////////////////////////////////////////
 class BinaryIO {
  public:
+  struct IoPerf
+  {
+    uint64_t size{0},time{0};
+    double   mbytesPerSecond{0.};
+  };
+
+  static IoPerf lastPerf;
   static int latticeWriteMaxRetry;
 
   /////////////////////////////////////////////////////////////////////////////
@@ -341,7 +348,7 @@ class BinaryIO {
     int ieee32big = (format == std::string("IEEE32BIG"));
     int ieee32    = (format == std::string("IEEE32"));
     int ieee64big = (format == std::string("IEEE64BIG"));
-    int ieee64    = (format == std::string("IEEE64"));
+    int ieee64    = (format == std::string("IEEE64") || format == std::string("IEEE64LITTLE"));
     assert(ieee64||ieee32|ieee64big||ieee32big);
     assert((ieee64+ieee32+ieee64big+ieee32big)==1);
     //////////////////////////////////////////////////////////////////////////////
@@ -502,12 +509,15 @@ class BinaryIO {
       timer.Stop();
     }
     
+    lastPerf.size            = sizeof(fobj)*iodata.size()*nrank;
+    lastPerf.time            = timer.useconds();
+    lastPerf.mbytesPerSecond = lastPerf.size/1024./1024./(lastPerf.time/1.0e6);
     std::cout<<GridLogMessage<<"IOobject: ";
     if ( control & BINARYIO_READ) std::cout << " read  ";
     else                          std::cout << " write ";
     uint64_t bytes = sizeof(fobj)*iodata.size()*nrank;
-    std::cout<< bytes <<" bytes in "<<timer.Elapsed() <<" "
-	     << (double)bytes/ (double)timer.useconds() <<" MB/s "<<std::endl;
+    std::cout<< lastPerf.size <<" bytes in "<< timer.Elapsed() <<" "
+	     << lastPerf.mbytesPerSecond <<" MB/s "<<std::endl;
 
     std::cout<<GridLogMessage<<"IOobject: endian and checksum overhead "<<bstimer.Elapsed()  <<std::endl;
 
@@ -663,10 +673,15 @@ class BinaryIO {
 	     nersc_csum,scidac_csuma,scidac_csumb);
 
     timer.Start();
-    thread_for(lidx,lsites,{
+    thread_for(lidx,lsites,{  // FIX ME, suboptimal implementation
       std::vector<RngStateType> tmp(RngStateCount);
       std::copy(iodata[lidx].begin(),iodata[lidx].end(),tmp.begin());
-      parallel_rng.SetState(tmp,lidx);
+      Coordinate lcoor;
+      grid->LocalIndexToLocalCoor(lidx, lcoor);
+      int o_idx=grid->oIndex(lcoor);
+      int i_idx=grid->iIndex(lcoor);
+      int gidx=parallel_rng.generator_idx(o_idx,i_idx);
+      parallel_rng.SetState(tmp,gidx);
       });
     timer.Stop();
 
@@ -723,7 +738,12 @@ class BinaryIO {
     std::vector<RNGstate> iodata(lsites);
     thread_for(lidx,lsites,{
       std::vector<RngStateType> tmp(RngStateCount);
-      parallel_rng.GetState(tmp,lidx);
+      Coordinate lcoor;
+      grid->LocalIndexToLocalCoor(lidx, lcoor);
+      int o_idx=grid->oIndex(lcoor);
+      int i_idx=grid->iIndex(lcoor);
+      int gidx=parallel_rng.generator_idx(o_idx,i_idx);
+      parallel_rng.GetState(tmp,gidx);
       std::copy(tmp.begin(),tmp.end(),iodata[lidx].begin());
     });
     timer.Stop();

Grid/parallelIO/IldgIO.h

@@ -31,6 +31,7 @@ directory
 #include <fstream>
 #include <iomanip>
 #include <iostream>
+#include <string>
 #include <map>
 
 #include <pwd.h>
@@ -123,7 +124,7 @@ assert(GRID_FIELD_NORM_CALC(FieldNormMetaData_, n2ck) < 1.0e-5);
  ////////////////////////////////////////////////////////////
  // Helper to fill out metadata
  ////////////////////////////////////////////////////////////
- template<class vobj> void ScidacMetaData(Lattice<vobj> & field,
+template<class vobj> void ScidacMetaData(Lattice<vobj> & field,
 					  FieldMetaData &header,
 					  scidacRecord & _scidacRecord,
 					  scidacFile   & _scidacFile) 
@@ -576,6 +577,8 @@ class ScidacReader : public GridLimeReader {
     std::string rec_name(ILDG_BINARY_DATA);
     while ( limeReaderNextRecord(LimeR) == LIME_SUCCESS ) { 
       if ( !strncmp(limeReaderType(LimeR), rec_name.c_str(),strlen(rec_name.c_str()) )  ) {
+  // in principle should do the line below, but that breaks backard compatibility with old data
+  // skipPastObjectRecord(std::string(GRID_FIELD_NORM));
 	skipPastObjectRecord(std::string(SCIDAC_CHECKSUM));
 	return;
       }
@@ -619,12 +622,12 @@ class IldgWriter : public ScidacWriter {
   // Don't require scidac records EXCEPT checksum
   // Use Grid MetaData object if present.
   ////////////////////////////////////////////////////////////////
-  template <class vsimd>
-  void writeConfiguration(Lattice<iLorentzColourMatrix<vsimd> > &Umu,int sequence,std::string LFN,std::string description) 
+  template <class stats = PeriodicGaugeStatistics>
+  void writeConfiguration(Lattice<vLorentzColourMatrixD > &Umu,int sequence,std::string LFN,std::string description) 
   {
     GridBase * grid = Umu.Grid();
-    typedef Lattice<iLorentzColourMatrix<vsimd> > GaugeField;
-    typedef iLorentzColourMatrix<vsimd> vobj;
+    typedef Lattice<vLorentzColourMatrixD> GaugeField;
+    typedef vLorentzColourMatrixD vobj;
     typedef typename vobj::scalar_object sobj;
 
     ////////////////////////////////////////
@@ -636,6 +639,9 @@ class IldgWriter : public ScidacWriter {
 
     ScidacMetaData(Umu,header,_scidacRecord,_scidacFile);
 
+    stats Stats;
+    Stats(Umu,header);
+    
     std::string format = header.floating_point;
     header.ensemble_id    = description;
     header.ensemble_label = description;
@@ -649,7 +655,8 @@ class IldgWriter : public ScidacWriter {
     // Fill ILDG header data struct
     //////////////////////////////////////////////////////
     ildgFormat ildgfmt ;
-    ildgfmt.field     = std::string("su3gauge");
+    const std::string stNC = std::to_string( Nc ) ;
+    ildgfmt.field          = std::string("su"+stNC+"gauge");
 
     if ( format == std::string("IEEE32BIG") ) { 
       ildgfmt.precision = 32;
@@ -705,10 +712,10 @@ class IldgReader : public GridLimeReader {
   // Else use ILDG MetaData object if present.
   // Else use SciDAC MetaData object if present.
   ////////////////////////////////////////////////////////////////
-  template <class vsimd>
-  void readConfiguration(Lattice<iLorentzColourMatrix<vsimd> > &Umu, FieldMetaData &FieldMetaData_) {
+  template <class stats = PeriodicGaugeStatistics>
+  void readConfiguration(Lattice<vLorentzColourMatrixD> &Umu, FieldMetaData &FieldMetaData_) {
 
-    typedef Lattice<iLorentzColourMatrix<vsimd> > GaugeField;
+    typedef Lattice<vLorentzColourMatrixD > GaugeField;
     typedef typename GaugeField::vector_object  vobj;
     typedef typename vobj::scalar_object sobj;
 
@@ -866,7 +873,8 @@ class IldgReader : public GridLimeReader {
     } else { 
 
       assert(found_ildgFormat);
-      assert ( ildgFormat_.field == std::string("su3gauge") );
+      const std::string stNC = std::to_string( Nc ) ;
+      assert ( ildgFormat_.field == std::string("su"+stNC+"gauge") );
 
       ///////////////////////////////////////////////////////////////////////////////////////
       // Populate our Grid metadata as best we can
@@ -874,7 +882,7 @@ class IldgReader : public GridLimeReader {
 
       std::ostringstream vers; vers << ildgFormat_.version;
       FieldMetaData_.hdr_version = vers.str();
-      FieldMetaData_.data_type = std::string("4D_SU3_GAUGE_3X3");
+      FieldMetaData_.data_type = std::string("4D_SU"+stNC+"_GAUGE_"+stNC+"x"+stNC);
 
       FieldMetaData_.nd=4;
       FieldMetaData_.dimension.resize(4);
@@ -921,7 +929,8 @@ class IldgReader : public GridLimeReader {
 
     if ( found_FieldMetaData || found_usqcdInfo ) {
       FieldMetaData checker;
-      GaugeStatistics(Umu,checker);
+      stats Stats;
+      Stats(Umu,checker);
       assert(fabs(checker.plaquette  - FieldMetaData_.plaquette )<1.0e-5);
       assert(fabs(checker.link_trace - FieldMetaData_.link_trace)<1.0e-5);
       std::cout << GridLogMessage<<"Plaquette and link trace match " << std::endl;

Grid/parallelIO/MetaData.h

@@ -6,8 +6,8 @@
 
     Copyright (C) 2015
 
-
     Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+    Author: Jamie Hudspith <renwick.james.hudspth@gmail.com>
 
     This program is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
@@ -128,7 +128,7 @@ inline void MachineCharacteristics(FieldMetaData &header)
   std::time_t t = std::time(nullptr);
   std::tm tm_ = *std::localtime(&t);
   std::ostringstream oss; 
-  //      oss << std::put_time(&tm_, "%c %Z");
+  oss << std::put_time(&tm_, "%c %Z");
   header.creation_date = oss.str();
   header.archive_date  = header.creation_date;
 
@@ -176,29 +176,18 @@ template<class vobj> inline void PrepareMetaData(Lattice<vobj> & field, FieldMet
   GridMetaData(grid,header); 
   MachineCharacteristics(header);
 }
-inline void GaugeStatistics(Lattice<vLorentzColourMatrixF> & data,FieldMetaData &header)
+template<class Impl>
+class GaugeStatistics
 {
-  // How to convert data precision etc...
-  header.link_trace=WilsonLoops<PeriodicGimplF>::linkTrace(data);
-  header.plaquette =WilsonLoops<PeriodicGimplF>::avgPlaquette(data);
-}
-inline void GaugeStatistics(Lattice<vLorentzColourMatrixD> & data,FieldMetaData &header)
-{
-  // How to convert data precision etc...
-  header.link_trace=WilsonLoops<PeriodicGimplD>::linkTrace(data);
-  header.plaquette =WilsonLoops<PeriodicGimplD>::avgPlaquette(data);
-}
-template<> inline void PrepareMetaData<vLorentzColourMatrixF>(Lattice<vLorentzColourMatrixF> & field, FieldMetaData &header)
-{
-   
-  GridBase *grid = field.Grid();
-  std::string format = getFormatString<vLorentzColourMatrixF>();
-  header.floating_point = format;
-  header.checksum = 0x0; // Nersc checksum unused in ILDG, Scidac
-  GridMetaData(grid,header); 
-  GaugeStatistics(field,header);
-  MachineCharacteristics(header);
-}
+public:
+  void operator()(Lattice<vLorentzColourMatrixD> & data,FieldMetaData &header)
+  {
+    header.link_trace = WilsonLoops<Impl>::linkTrace(data);
+    header.plaquette  = WilsonLoops<Impl>::avgPlaquette(data);
+  }
+};
+typedef GaugeStatistics<PeriodicGimplD> PeriodicGaugeStatistics;
+typedef GaugeStatistics<ConjugateGimplD> ConjugateGaugeStatistics;
 template<> inline void PrepareMetaData<vLorentzColourMatrixD>(Lattice<vLorentzColourMatrixD> & field, FieldMetaData &header)
 {
   GridBase *grid = field.Grid();
@@ -206,7 +195,6 @@ template<> inline void PrepareMetaData<vLorentzColourMatrixD>(Lattice<vLorentzCo
   header.floating_point = format;
   header.checksum = 0x0; // Nersc checksum unused in ILDG, Scidac
   GridMetaData(grid,header); 
-  GaugeStatistics(field,header);
   MachineCharacteristics(header);
 }
 
@@ -215,20 +203,24 @@ template<> inline void PrepareMetaData<vLorentzColourMatrixD>(Lattice<vLorentzCo
 //////////////////////////////////////////////////////////////////////
 inline void reconstruct3(LorentzColourMatrix & cm)
 {
-  const int x=0;
-  const int y=1;
-  const int z=2;
+  assert( Nc < 4 && Nc > 1 ) ;
   for(int mu=0;mu<Nd;mu++){
-    cm(mu)()(2,x) = adj(cm(mu)()(0,y)*cm(mu)()(1,z)-cm(mu)()(0,z)*cm(mu)()(1,y)); //x= yz-zy
-    cm(mu)()(2,y) = adj(cm(mu)()(0,z)*cm(mu)()(1,x)-cm(mu)()(0,x)*cm(mu)()(1,z)); //y= zx-xz
-    cm(mu)()(2,z) = adj(cm(mu)()(0,x)*cm(mu)()(1,y)-cm(mu)()(0,y)*cm(mu)()(1,x)); //z= xy-yx
+    #if Nc == 2
+      cm(mu)()(1,0) = -adj(cm(mu)()(0,y)) ;
+      cm(mu)()(1,1) =  adj(cm(mu)()(0,x)) ;
+    #else
+      const int x=0 , y=1 , z=2 ; // a little disinenuous labelling
+      cm(mu)()(2,x) = adj(cm(mu)()(0,y)*cm(mu)()(1,z)-cm(mu)()(0,z)*cm(mu)()(1,y)); //x= yz-zy
+      cm(mu)()(2,y) = adj(cm(mu)()(0,z)*cm(mu)()(1,x)-cm(mu)()(0,x)*cm(mu)()(1,z)); //y= zx-xz
+      cm(mu)()(2,z) = adj(cm(mu)()(0,x)*cm(mu)()(1,y)-cm(mu)()(0,y)*cm(mu)()(1,x)); //z= xy-yx
+    #endif
   }
 }
 
 ////////////////////////////////////////////////////////////////////////////////
 // Some data types for intermediate storage
 ////////////////////////////////////////////////////////////////////////////////
-template<typename vtype> using iLorentzColour2x3 = iVector<iVector<iVector<vtype, Nc>, 2>, Nd >;
+template<typename vtype> using iLorentzColour2x3 = iVector<iVector<iVector<vtype, Nc>, Nc-1>, Nd >;
 
 typedef iLorentzColour2x3<Complex>  LorentzColour2x3;
 typedef iLorentzColour2x3<ComplexF> LorentzColour2x3F;
@@ -290,7 +282,6 @@ struct GaugeSimpleMunger{
 
 template <class fobj, class sobj>
 struct GaugeSimpleUnmunger {
-
   void operator()(sobj &in, fobj &out) {
     for (int mu = 0; mu < Nd; mu++) {
       for (int i = 0; i < Nc; i++) {
@@ -301,12 +292,36 @@ struct GaugeSimpleUnmunger {
   };
 };
 
+template<class fobj,class sobj>
+struct GaugeDoubleStoredMunger{
+  void operator()(fobj &in, sobj &out) {
+    for (int mu = 0; mu < Nds; mu++) {
+      for (int i = 0; i < Nc; i++) {
+        for (int j = 0; j < Nc; j++) {
+          out(mu)()(i, j) = in(mu)()(i, j);
+        }}
+    }
+  };
+};
+
+template <class fobj, class sobj>
+struct GaugeDoubleStoredUnmunger {
+  void operator()(sobj &in, fobj &out) {
+    for (int mu = 0; mu < Nds; mu++) {
+      for (int i = 0; i < Nc; i++) {
+        for (int j = 0; j < Nc; j++) {
+          out(mu)()(i, j) = in(mu)()(i, j);
+        }}
+    }
+  };
+};
+
 template<class fobj,class sobj>
 struct Gauge3x2munger{
   void operator() (fobj &in,sobj &out){
     for(int mu=0;mu<Nd;mu++){
-      for(int i=0;i<2;i++){
-	for(int j=0;j<3;j++){
+      for(int i=0;i<Nc-1;i++){
+	for(int j=0;j<Nc;j++){
 	  out(mu)()(i,j) = in(mu)(i)(j);
 	}}
     }
@@ -318,8 +333,8 @@ template<class fobj,class sobj>
 struct Gauge3x2unmunger{
   void operator() (sobj &in,fobj &out){
     for(int mu=0;mu<Nd;mu++){
-      for(int i=0;i<2;i++){
-	for(int j=0;j<3;j++){
+      for(int i=0;i<Nc-1;i++){
+	for(int j=0;j<Nc;j++){
 	  out(mu)(i)(j) = in(mu)()(i,j);
 	}}
     }

Grid/parallelIO/NerscIO.h

@@ -9,6 +9,7 @@
     Author: Matt Spraggs <matthew.spraggs@gmail.com>
     Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     Author: paboyle <paboyle@ph.ed.ac.uk>
+    Author: Jamie Hudspith <renwick.james.hudspth@gmail.com>
 
     This program is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
@@ -30,6 +31,8 @@
 #ifndef GRID_NERSC_IO_H
 #define GRID_NERSC_IO_H
 
+#include <string>
+
 NAMESPACE_BEGIN(Grid);
 
 using namespace Grid;
@@ -39,6 +42,10 @@ using namespace Grid;
 ////////////////////////////////////////////////////////////////////////////////
 class NerscIO : public BinaryIO { 
 public:
+  typedef Lattice<vLorentzColourMatrixD> GaugeField;
+
+  // Enable/disable exiting if the plaquette in the header does not match the value computed (default true)
+  static bool & exitOnReadPlaquetteMismatch(){ static bool v=true; return v; }
 
   static inline void truncate(std::string file){
     std::ofstream fout(file,std::ios::out);
@@ -129,12 +136,12 @@ public:
   // Now the meat: the object readers
   /////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
 
-  template<class vsimd>
-  static inline void readConfiguration(Lattice<iLorentzColourMatrix<vsimd> > &Umu,
+  template<class GaugeStats=PeriodicGaugeStatistics>
+  static inline void readConfiguration(GaugeField &Umu,
 				       FieldMetaData& header,
-				       std::string file)
+				       std::string file,
+				       GaugeStats GaugeStatisticsCalculator=GaugeStats())
   {
-    typedef Lattice<iLorentzColourMatrix<vsimd> > GaugeField;
 
     GridBase *grid = Umu.Grid();
     uint64_t offset = readHeader(file,Umu.Grid(),header);
@@ -143,33 +150,35 @@ public:
 
     std::string format(header.floating_point);
 
-    int ieee32big = (format == std::string("IEEE32BIG"));
-    int ieee32    = (format == std::string("IEEE32"));
-    int ieee64big = (format == std::string("IEEE64BIG"));
-    int ieee64    = (format == std::string("IEEE64"));
+    const int ieee32big = (format == std::string("IEEE32BIG"));
+    const int ieee32    = (format == std::string("IEEE32"));
+    const int ieee64big = (format == std::string("IEEE64BIG"));
+    const int ieee64    = (format == std::string("IEEE64") || \
+			   format == std::string("IEEE64LITTLE"));
 
     uint32_t nersc_csum,scidac_csuma,scidac_csumb;
     // depending on datatype, set up munger;
     // munger is a function of <floating point, Real, data_type>
-    if ( header.data_type == std::string("4D_SU3_GAUGE") ) {
+    const std::string stNC = std::to_string( Nc ) ;
+    if ( header.data_type == std::string("4D_SU"+stNC+"_GAUGE") ) {
       if ( ieee32 || ieee32big ) {
-	BinaryIO::readLatticeObject<iLorentzColourMatrix<vsimd>, LorentzColour2x3F> 
+	BinaryIO::readLatticeObject<vLorentzColourMatrixD, LorentzColour2x3F> 
 	  (Umu,file,Gauge3x2munger<LorentzColour2x3F,LorentzColourMatrix>(), offset,format,
 	   nersc_csum,scidac_csuma,scidac_csumb);
       }
       if ( ieee64 || ieee64big ) {
-	BinaryIO::readLatticeObject<iLorentzColourMatrix<vsimd>, LorentzColour2x3D> 
+	BinaryIO::readLatticeObject<vLorentzColourMatrixD, LorentzColour2x3D> 
 	  (Umu,file,Gauge3x2munger<LorentzColour2x3D,LorentzColourMatrix>(),offset,format,
 	   nersc_csum,scidac_csuma,scidac_csumb);
       }
-    } else if ( header.data_type == std::string("4D_SU3_GAUGE_3x3") ) {
+    } else if ( header.data_type == std::string("4D_SU"+stNC+"_GAUGE_"+stNC+"x"+stNC) ) {
       if ( ieee32 || ieee32big ) {
-	BinaryIO::readLatticeObject<iLorentzColourMatrix<vsimd>,LorentzColourMatrixF>
+	BinaryIO::readLatticeObject<vLorentzColourMatrixD,LorentzColourMatrixF>
 	  (Umu,file,GaugeSimpleMunger<LorentzColourMatrixF,LorentzColourMatrix>(),offset,format,
 	   nersc_csum,scidac_csuma,scidac_csumb);
       }
       if ( ieee64 || ieee64big ) {
-	BinaryIO::readLatticeObject<iLorentzColourMatrix<vsimd>,LorentzColourMatrixD>
+	BinaryIO::readLatticeObject<vLorentzColourMatrixD,LorentzColourMatrixD>
 	  (Umu,file,GaugeSimpleMunger<LorentzColourMatrixD,LorentzColourMatrix>(),offset,format,
 	   nersc_csum,scidac_csuma,scidac_csumb);
       }
@@ -177,7 +186,7 @@ public:
       assert(0);
     }
 
-    GaugeStatistics(Umu,clone);
+    GaugeStats Stats; Stats(Umu,clone);
 
     std::cout<<GridLogMessage <<"NERSC Configuration "<<file<<" checksum "<<std::hex<<nersc_csum<< std::dec
 	     <<" header   "<<std::hex<<header.checksum<<std::dec <<std::endl;
@@ -196,31 +205,40 @@ public:
       std::cerr << " nersc_csum  " <<std::hex<< nersc_csum << " " << header.checksum<< std::dec<< std::endl;
       exit(0);
     }
-    assert(fabs(clone.plaquette -header.plaquette ) < 1.0e-5 );
+    if(exitOnReadPlaquetteMismatch()) assert(fabs(clone.plaquette -header.plaquette ) < 1.0e-5 );
     assert(fabs(clone.link_trace-header.link_trace) < 1.0e-6 );
     assert(nersc_csum == header.checksum );
       
     std::cout<<GridLogMessage <<"NERSC Configuration "<<file<< " and plaquette, link trace, and checksum agree"<<std::endl;
   }
 
-  template<class vsimd>
-  static inline void writeConfiguration(Lattice<iLorentzColourMatrix<vsimd> > &Umu,
+  // Preferred interface
+  template<class GaugeStats=PeriodicGaugeStatistics>
+  static inline void writeConfiguration(Lattice<vLorentzColourMatrixD > &Umu,
+					std::string file, 
+					std::string ens_label = std::string("DWF"),
+					std::string ens_id = std::string("UKQCD"),
+					unsigned int sequence_number = 1)
+  {
+    writeConfiguration(Umu,file,0,1,ens_label,ens_id,sequence_number);
+  }
+  template<class GaugeStats=PeriodicGaugeStatistics>
+  static inline void writeConfiguration(Lattice<vLorentzColourMatrixD > &Umu,
 					std::string file, 
 					int two_row,
-					int bits32)
+					int bits32,
+					std::string ens_label = std::string("DWF"),
+					std::string ens_id = std::string("UKQCD"),
+					unsigned int sequence_number = 1)
   {
-    typedef Lattice<iLorentzColourMatrix<vsimd> > GaugeField;
-
-    typedef iLorentzColourMatrix<vsimd> vobj;
+    typedef vLorentzColourMatrixD vobj;
     typedef typename vobj::scalar_object sobj;
 
     FieldMetaData header;
-    ///////////////////////////////////////////
-    // Following should become arguments
-    ///////////////////////////////////////////
-    header.sequence_number = 1;
-    header.ensemble_id     = "UKQCD";
-    header.ensemble_label  = "DWF";
+    header.sequence_number = sequence_number;
+    header.ensemble_id     = ens_id;
+    header.ensemble_label  = ens_label;
+    header.hdr_version     = "1.0" ;
 
     typedef LorentzColourMatrixD fobj3D;
     typedef LorentzColour2x3D    fobj2D;
@@ -229,28 +247,39 @@ public:
 
     GridMetaData(grid,header);
     assert(header.nd==4);
-    GaugeStatistics(Umu,header);
+    GaugeStats Stats; Stats(Umu,header);
     MachineCharacteristics(header);
 
-	uint64_t offset;
+    uint64_t offset;
 
-    // Sod it -- always write 3x3 double
-    header.floating_point = std::string("IEEE64BIG");
-    header.data_type      = std::string("4D_SU3_GAUGE_3x3");
-    GaugeSimpleUnmunger<fobj3D,sobj> munge;
-	if ( grid->IsBoss() ) { 
-	  truncate(file);
-    offset = writeHeader(header,file);
-	}
-	grid->Broadcast(0,(void *)&offset,sizeof(offset));
+    // Sod it -- always write NcxNc double
+    header.floating_point  = std::string("IEEE64BIG");
+    const std::string stNC = std::to_string( Nc ) ;
+    if( two_row ) {
+      header.data_type = std::string("4D_SU" + stNC + "_GAUGE" );
+    } else {
+      header.data_type = std::string("4D_SU" + stNC + "_GAUGE_" + stNC + "x" + stNC );
+    }
+    if ( grid->IsBoss() ) { 
+      truncate(file);
+      offset = writeHeader(header,file);
+    }
+    grid->Broadcast(0,(void *)&offset,sizeof(offset));
 
     uint32_t nersc_csum,scidac_csuma,scidac_csumb;
-    BinaryIO::writeLatticeObject<vobj,fobj3D>(Umu,file,munge,offset,header.floating_point,
-					      nersc_csum,scidac_csuma,scidac_csumb);
+    if( two_row ) {
+      Gauge3x2unmunger<fobj2D,sobj> munge;
+      BinaryIO::writeLatticeObject<vobj,fobj2D>(Umu,file,munge,offset,header.floating_point,
+						nersc_csum,scidac_csuma,scidac_csumb);
+    } else {
+      GaugeSimpleUnmunger<fobj3D,sobj> munge;
+      BinaryIO::writeLatticeObject<vobj,fobj3D>(Umu,file,munge,offset,header.floating_point,
+						nersc_csum,scidac_csuma,scidac_csumb);
+    }
     header.checksum = nersc_csum;
-	if ( grid->IsBoss() ) { 
-    writeHeader(header,file);
-	}
+    if ( grid->IsBoss() ) { 
+      writeHeader(header,file);
+    }
 
     std::cout<<GridLogMessage <<"Written NERSC Configuration on "<< file << " checksum "
 	     <<std::hex<<header.checksum
@@ -278,8 +307,7 @@ public:
     header.plaquette=0.0;
     MachineCharacteristics(header);
 
-	uint64_t offset;
-  
+    uint64_t offset;
 #ifdef RNG_RANLUX
     header.floating_point = std::string("UINT64");
     header.data_type      = std::string("RANLUX48");
@@ -319,7 +347,7 @@ public:
 
     GridBase *grid = parallel.Grid();
 
-	uint64_t offset = readHeader(file,grid,header);
+    uint64_t offset = readHeader(file,grid,header);
 
     FieldMetaData clone(header);
 
@@ -354,6 +382,6 @@ public:
   }
 };
 
-NAMESPACE_END(QCD);
+NAMESPACE_END(Grid);
 
 #endif

Grid/parallelIO/OpenQcdIO.h

@@ -0,0 +1,224 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/parallelIO/OpenQcdIO.h
+
+Copyright (C) 2015 - 2020
+
+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 */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+struct OpenQcdHeader : Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(OpenQcdHeader,
+                                  int,    Nt,
+                                  int,    Nx,
+                                  int,    Ny,
+                                  int,    Nz,
+                                  double, plaq);
+};
+
+class OpenQcdIO : public BinaryIO {
+public:
+  static constexpr double normalisationFactor = Nc; // normalisation difference: grid 18, openqcd 6
+
+  static inline int readHeader(std::string file, GridBase* grid, FieldMetaData& field) {
+    OpenQcdHeader header;
+
+    {
+      std::ifstream fin(file, std::ios::in | std::ios::binary);
+      fin.read(reinterpret_cast<char*>(&header), sizeof(OpenQcdHeader));
+      assert(!fin.fail());
+      field.data_start = fin.tellg();
+      fin.close();
+    }
+
+    header.plaq /= normalisationFactor;
+
+    // sanity check (should trigger on endian issues)
+    assert(0 < header.Nt && header.Nt <= 1024);
+    assert(0 < header.Nx && header.Nx <= 1024);
+    assert(0 < header.Ny && header.Ny <= 1024);
+    assert(0 < header.Nz && header.Nz <= 1024);
+
+    field.dimension[0] = header.Nx;
+    field.dimension[1] = header.Ny;
+    field.dimension[2] = header.Nz;
+    field.dimension[3] = header.Nt;
+
+    std::cout << GridLogDebug << "header: " << header << std::endl;
+    std::cout << GridLogDebug << "grid dimensions: " << grid->_fdimensions << std::endl;
+    std::cout << GridLogDebug << "file dimensions: " << field.dimension << std::endl;
+
+    assert(grid->_ndimension == Nd);
+    for(int d = 0; d < Nd; d++)
+      assert(grid->_fdimensions[d] == field.dimension[d]);
+
+    field.plaquette = header.plaq;
+
+    return field.data_start;
+  }
+
+  template<class vsimd>
+  static inline void readConfiguration(Lattice<iLorentzColourMatrix<vsimd>>& Umu,
+                                       FieldMetaData&                        header,
+                                       std::string                           file) {
+    typedef Lattice<iDoubleStoredColourMatrix<vsimd>> DoubleStoredGaugeField;
+
+    assert(Ns == 4 and Nd == 4 and Nc == 3);
+
+    auto grid = dynamic_cast<GridCartesian*>(Umu.Grid());
+    assert(grid != nullptr); assert(grid->_ndimension == Nd);
+
+    uint64_t offset = readHeader(file, Umu.Grid(), header);
+
+    FieldMetaData clone(header);
+
+    std::string format("IEEE64"); // they always store little endian double precsision
+    uint32_t    nersc_csum, scidac_csuma, scidac_csumb;
+
+    GridCartesian*         grid_openqcd = createOpenQcdGrid(grid);
+    GridRedBlackCartesian* grid_rb      = SpaceTimeGrid::makeFourDimRedBlackGrid(grid);
+
+    typedef DoubleStoredColourMatrixD                                              fobj;
+    typedef typename DoubleStoredGaugeField::vector_object::scalar_object          sobj;
+    typedef typename DoubleStoredGaugeField::vector_object::Realified::scalar_type word;
+
+    word w = 0;
+
+    std::vector<fobj> iodata(grid_openqcd->lSites()); // Munge, checksum, byte order in here
+    std::vector<sobj> scalardata(grid->lSites());
+
+    IOobject(w, grid_openqcd, iodata, file, offset, format, BINARYIO_READ | BINARYIO_LEXICOGRAPHIC,
+             nersc_csum, scidac_csuma, scidac_csumb);
+
+    GridStopWatch timer;
+    timer.Start();
+
+    DoubleStoredGaugeField Umu_ds(grid);
+
+    auto munge = GaugeDoubleStoredMunger<DoubleStoredColourMatrixD, DoubleStoredColourMatrix>();
+
+    Coordinate ldim = grid->LocalDimensions();
+    thread_for(idx_g, grid->lSites(), {
+        Coordinate coor;
+        grid->LocalIndexToLocalCoor(idx_g, coor);
+
+        bool isOdd = grid_rb->CheckerBoard(coor) == Odd;
+
+        if(!isOdd) continue;
+
+        int idx_o = (coor[Tdir] * ldim[Xdir] * ldim[Ydir] * ldim[Zdir]
+                  +  coor[Xdir] * ldim[Ydir] * ldim[Zdir]
+                  +  coor[Ydir] * ldim[Zdir]
+                  +  coor[Zdir])/2;
+
+        munge(iodata[idx_o], scalardata[idx_g]);
+    });
+
+    grid->Barrier(); timer.Stop();
+    std::cout << Grid::GridLogMessage << "OpenQcdIO::readConfiguration: munge overhead " << timer.Elapsed() << std::endl;
+
+    timer.Reset(); timer.Start();
+
+    vectorizeFromLexOrdArray(scalardata, Umu_ds);
+
+    grid->Barrier(); timer.Stop();
+    std::cout << Grid::GridLogMessage << "OpenQcdIO::readConfiguration: vectorize overhead " << timer.Elapsed() << std::endl;
+
+    timer.Reset(); timer.Start();
+
+    undoDoubleStore(Umu, Umu_ds);
+
+    grid->Barrier(); timer.Stop();
+    std::cout << Grid::GridLogMessage << "OpenQcdIO::readConfiguration: redistribute overhead " << timer.Elapsed() << std::endl;
+
+    PeriodicGaugeStatistics Stats; Stats(Umu, clone);
+
+    RealD plaq_diff = fabs(clone.plaquette - header.plaquette);
+
+    // clang-format off
+    std::cout << GridLogMessage << "OpenQcd Configuration " << file
+              << " plaquette " << clone.plaquette
+              << " header " << header.plaquette
+              << " difference " << plaq_diff
+              << std::endl;
+    // clang-format on
+
+    RealD precTol = (getPrecision<vsimd>::value == 1) ? 2e-7 : 2e-15;
+    RealD tol     = precTol * std::sqrt(grid->_Nprocessors); // taken from RQCD chroma code
+
+    if(plaq_diff >= tol)
+      std::cout << " Plaquette mismatch (diff = " << plaq_diff << ", tol = " << tol << ")" << std::endl;
+    assert(plaq_diff < tol);
+
+    std::cout << GridLogMessage << "OpenQcd Configuration " << file << " and plaquette agree" << std::endl;
+  }
+
+  template<class vsimd>
+  static inline void writeConfiguration(Lattice<iLorentzColourMatrix<vsimd>>& Umu,
+                                        std::string                           file) {
+    std::cout << GridLogError << "Writing to openQCD file format is not implemented" << std::endl;
+    exit(EXIT_FAILURE);
+  }
+
+private:
+  static inline GridCartesian* createOpenQcdGrid(GridCartesian* grid) {
+    // exploit GridCartesian to be able to still use IOobject
+    Coordinate gdim  = grid->GlobalDimensions();
+    Coordinate ldim  = grid->LocalDimensions();
+    Coordinate pcoor = grid->ThisProcessorCoor();
+
+    // openqcd does rb on the z direction
+    gdim[Zdir] /= 2;
+    ldim[Zdir] /= 2;
+
+    // and has the order T X Y Z (from slowest to fastest)
+    std::swap(gdim[Xdir], gdim[Zdir]);
+    std::swap(ldim[Xdir], ldim[Zdir]);
+    std::swap(pcoor[Xdir], pcoor[Zdir]);
+
+    GridCartesian* ret   = SpaceTimeGrid::makeFourDimGrid(gdim, grid->_simd_layout, grid->ProcessorGrid());
+    ret->_ldimensions    = ldim;
+    ret->_processor_coor = pcoor;
+    return ret;
+  }
+
+  template<class vsimd>
+  static inline void undoDoubleStore(Lattice<iLorentzColourMatrix<vsimd>>&            Umu,
+                                     Lattice<iDoubleStoredColourMatrix<vsimd>> const& Umu_ds) {
+    conformable(Umu.Grid(), Umu_ds.Grid());
+    Lattice<iColourMatrix<vsimd>> U(Umu.Grid());
+
+    // they store T+, T-, X+, X-, Y+, Y-, Z+, Z-
+    for(int mu_g = 0; mu_g < Nd; ++mu_g) {
+      int mu_o = (mu_g + 1) % Nd;
+      U        = PeekIndex<LorentzIndex>(Umu_ds, 2 * mu_o)
+               + Cshift(PeekIndex<LorentzIndex>(Umu_ds, 2 * mu_o + 1), mu_g, +1);
+      PokeIndex<LorentzIndex>(Umu, U, mu_g);
+    }
+  }
+};
+
+NAMESPACE_END(Grid);

Grid/parallelIO/OpenQcdIOChromaReference.h

@@ -0,0 +1,281 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/parallelIO/OpenQcdIOChromaReference.h
+
+Copyright (C) 2015 - 2020
+
+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 */
+#pragma once
+
+#include <ios>
+#include <iostream>
+#include <limits>
+#include <iomanip>
+#include <mpi.h>
+#include <ostream>
+#include <string>
+
+#define CHECK {std::cerr << __FILE__ << " @l " << __LINE__ << ": CHECK" << grid->ThisRank() << std::endl;}
+#define CHECK_VAR(a)   { std::cerr << __FILE__ << "@l" << __LINE__ << " on "<< grid->ThisRank() << ": " << __func__ << " " << #a << "=" << (a) << std::endl; }
+// #undef CHECK
+// #define CHECK
+
+NAMESPACE_BEGIN(Grid);
+
+class ParRdr {
+private:
+  bool const swap;
+
+  MPI_Status status;
+  MPI_File   fp;
+
+  int err;
+
+  MPI_Datatype oddSiteType;
+  MPI_Datatype fileViewType;
+
+  GridBase* grid;
+
+public:
+  ParRdr(MPI_Comm comm, std::string const& filename, GridBase* gridPtr)
+    : swap(false)
+    , grid(gridPtr) {
+    err = MPI_File_open(comm, const_cast<char*>(filename.c_str()), MPI_MODE_RDONLY, MPI_INFO_NULL, &fp);
+    assert(err == MPI_SUCCESS);
+  }
+
+  virtual ~ParRdr() { MPI_File_close(&fp); }
+
+  inline void errInfo(int const err, std::string const& func) {
+    static char estring[MPI_MAX_ERROR_STRING];
+    int         eclass = -1, len = 0;
+    MPI_Error_class(err, &eclass);
+    MPI_Error_string(err, estring, &len);
+    std::cerr << func << " - Error " << eclass << ": " << estring << std::endl;
+  }
+
+  int readHeader(FieldMetaData& field) {
+    assert((grid->_ndimension == Nd) && (Nd == 4));
+    assert(Nc == 3);
+
+    OpenQcdHeader header;
+
+    readBlock(reinterpret_cast<char*>(&header), 0, sizeof(OpenQcdHeader), MPI_CHAR);
+
+    header.plaq /= 3.; // TODO change this into normalizationfactor
+
+    // sanity check (should trigger on endian issues) TODO remove?
+    assert(0 < header.Nt && header.Nt <= 1024);
+    assert(0 < header.Nx && header.Nx <= 1024);
+    assert(0 < header.Ny && header.Ny <= 1024);
+    assert(0 < header.Nz && header.Nz <= 1024);
+
+    field.dimension[0] = header.Nx;
+    field.dimension[1] = header.Ny;
+    field.dimension[2] = header.Nz;
+    field.dimension[3] = header.Nt;
+
+    for(int d = 0; d < Nd; d++)
+      assert(grid->FullDimensions()[d] == field.dimension[d]);
+
+    field.plaquette = header.plaq;
+
+    field.data_start = sizeof(OpenQcdHeader);
+
+    return field.data_start;
+  }
+
+  void readBlock(void* const dest, uint64_t const pos, uint64_t const nbytes, MPI_Datatype const datatype) {
+    err = MPI_File_read_at_all(fp, pos, dest, nbytes, datatype, &status);
+    errInfo(err, "MPI_File_read_at_all");
+    // CHECK_VAR(err)
+
+    int read = -1;
+    MPI_Get_count(&status, datatype, &read);
+    // CHECK_VAR(read)
+    assert(nbytes == (uint64_t)read);
+    assert(err == MPI_SUCCESS);
+  }
+
+  void createTypes() {
+    constexpr int elem_size = Nd * 2 * 2 * Nc * Nc * sizeof(double); // 2_complex 2_fwdbwd
+
+    err = MPI_Type_contiguous(elem_size, MPI_BYTE, &oddSiteType); assert(err == MPI_SUCCESS);
+    err = MPI_Type_commit(&oddSiteType); assert(err == MPI_SUCCESS);
+
+    Coordinate const L = grid->GlobalDimensions();
+    Coordinate const l = grid->LocalDimensions();
+    Coordinate const i = grid->ThisProcessorCoor();
+
+    Coordinate sizes({L[2] / 2, L[1], L[0], L[3]});
+    Coordinate subsizes({l[2] / 2, l[1], l[0], l[3]});
+    Coordinate starts({i[2] * l[2] / 2, i[1] * l[1], i[0] * l[0], i[3] * l[3]});
+
+    err = MPI_Type_create_subarray(grid->_ndimension, &sizes[0], &subsizes[0], &starts[0], MPI_ORDER_FORTRAN, oddSiteType, &fileViewType); assert(err == MPI_SUCCESS);
+    err = MPI_Type_commit(&fileViewType); assert(err == MPI_SUCCESS);
+  }
+
+  void freeTypes() {
+    err = MPI_Type_free(&fileViewType); assert(err == MPI_SUCCESS);
+    err = MPI_Type_free(&oddSiteType); assert(err == MPI_SUCCESS);
+  }
+
+  bool readGauge(std::vector<ColourMatrixD>& domain_buff, FieldMetaData& meta) {
+    auto hdr_offset = readHeader(meta);
+    CHECK
+    createTypes();
+    err = MPI_File_set_view(fp, hdr_offset, oddSiteType, fileViewType, "native", MPI_INFO_NULL); errInfo(err, "MPI_File_set_view0"); assert(err == MPI_SUCCESS);
+    CHECK
+    int const domainSites = grid->lSites();
+    domain_buff.resize(Nd * domainSites); // 2_fwdbwd * 4_Nd * domainSites / 2_onlyodd
+
+    // the actual READ
+    constexpr uint64_t cm_size   = 2 * Nc * Nc * sizeof(double);    // 2_complex
+    constexpr uint64_t os_size   = Nd * 2 * cm_size;                // 2_fwdbwd
+    constexpr uint64_t max_elems = std::numeric_limits<int>::max(); // int adressable elems: floor is fine
+    uint64_t const     n_os      = domainSites / 2;
+
+    for(uint64_t os_idx = 0; os_idx < n_os;) {
+      uint64_t const read_os = os_idx + max_elems <= n_os ? max_elems : n_os - os_idx;
+      uint64_t const cm      = os_idx * Nd * 2;
+      readBlock(&(domain_buff[cm]), os_idx, read_os, oddSiteType);
+      os_idx += read_os;
+    }
+
+    CHECK
+    err = MPI_File_set_view(fp, 0, MPI_BYTE, MPI_BYTE, "native", MPI_INFO_NULL);
+  errInfo(err, "MPI_File_set_view1");
+    assert(err == MPI_SUCCESS);
+    freeTypes();
+
+    std::cout << GridLogMessage << "read sum: " << n_os * os_size << " bytes" << std::endl;
+    return true;
+  }
+};
+
+class OpenQcdIOChromaReference : public BinaryIO {
+public:
+  template<class vsimd>
+  static inline void readConfiguration(Lattice<iLorentzColourMatrix<vsimd>>& Umu,
+                                       Grid::FieldMetaData&                  header,
+                                       std::string                           file) {
+    typedef Lattice<iDoubleStoredColourMatrix<vsimd>> DoubledGaugeField;
+
+    assert(Ns == 4 and Nd == 4 and Nc == 3);
+
+    auto grid = Umu.Grid();
+
+    typedef ColourMatrixD fobj;
+
+    std::vector<fobj> iodata(
+      Nd * grid->lSites()); // actual size = 2*Nd*lsites but have only lsites/2 sites in file
+
+    {
+      ParRdr rdr(MPI_COMM_WORLD, file, grid);
+      rdr.readGauge(iodata, header);
+    } // equivalent to using binaryio
+
+    std::vector<iDoubleStoredColourMatrix<typename vsimd::scalar_type>> Umu_ds_scalar(grid->lSites());
+
+    copyToLatticeObject(Umu_ds_scalar, iodata, grid); // equivalent to munging
+
+    DoubledGaugeField Umu_ds(grid);
+
+    vectorizeFromLexOrdArray(Umu_ds_scalar, Umu_ds);
+
+    redistribute(Umu, Umu_ds); // equivalent to undoDoublestore
+
+    FieldMetaData clone(header);
+
+    PeriodicGaugeStatistics Stats; Stats(Umu, clone);
+
+    RealD plaq_diff = fabs(clone.plaquette - header.plaquette);
+
+    // clang-format off
+    std::cout << GridLogMessage << "OpenQcd Configuration " << file
+              << " plaquette " << clone.plaquette
+              << " header " << header.plaquette
+              << " difference " << plaq_diff
+              << std::endl;
+    // clang-format on
+
+    RealD precTol = (getPrecision<vsimd>::value == 1) ? 2e-7 : 2e-15;
+    RealD tol     = precTol * std::sqrt(grid->_Nprocessors); // taken from RQCD chroma code
+
+    if(plaq_diff >= tol)
+      std::cout << " Plaquette mismatch (diff = " << plaq_diff << ", tol = " << tol << ")" << std::endl;
+    assert(plaq_diff < tol);
+
+    std::cout << GridLogMessage << "OpenQcd Configuration " << file << " and plaquette agree" << std::endl;
+  }
+
+private:
+  template<class vsimd>
+  static inline void redistribute(Lattice<iLorentzColourMatrix<vsimd>>&            Umu,
+                                  Lattice<iDoubleStoredColourMatrix<vsimd>> const& Umu_ds) {
+    Grid::conformable(Umu.Grid(), Umu_ds.Grid());
+    Lattice<iColourMatrix<vsimd>> U(Umu.Grid());
+
+    U = PeekIndex<LorentzIndex>(Umu_ds, 2) + Cshift(PeekIndex<LorentzIndex>(Umu_ds, 3), 0, +1); PokeIndex<LorentzIndex>(Umu, U, 0);
+    U = PeekIndex<LorentzIndex>(Umu_ds, 4) + Cshift(PeekIndex<LorentzIndex>(Umu_ds, 5), 1, +1); PokeIndex<LorentzIndex>(Umu, U, 1);
+    U = PeekIndex<LorentzIndex>(Umu_ds, 6) + Cshift(PeekIndex<LorentzIndex>(Umu_ds, 7), 2, +1); PokeIndex<LorentzIndex>(Umu, U, 2);
+    U = PeekIndex<LorentzIndex>(Umu_ds, 0) + Cshift(PeekIndex<LorentzIndex>(Umu_ds, 1), 3, +1); PokeIndex<LorentzIndex>(Umu, U, 3);
+  }
+
+  static inline void copyToLatticeObject(std::vector<DoubleStoredColourMatrix>& u_fb,
+                                         std::vector<ColourMatrixD> const&      node_buff,
+                                         GridBase*                              grid) {
+    assert(node_buff.size() == Nd * grid->lSites());
+
+    Coordinate const& l = grid->LocalDimensions();
+
+    Coordinate coord(Nd);
+    int&       x = coord[0];
+    int&       y = coord[1];
+    int&       z = coord[2];
+    int&       t = coord[3];
+
+    int buff_idx = 0;
+    for(t = 0; t < l[3]; ++t) // IMPORTANT: openQCD file ordering
+      for(x = 0; x < l[0]; ++x)
+        for(y = 0; y < l[1]; ++y)
+          for(z = 0; z < l[2]; ++z) {
+            if((t + z + y + x) % 2 == 0) continue;
+
+            int local_idx;
+            Lexicographic::IndexFromCoor(coord, local_idx, grid->LocalDimensions());
+            for(int mu = 0; mu < 2 * Nd; ++mu)
+              for(int c1 = 0; c1 < Nc; ++c1) {
+                for(int c2 = 0; c2 < Nc; ++c2) {
+                  u_fb[local_idx](mu)()(c1,c2) = node_buff[mu+buff_idx]()()(c1,c2);
+                }
+              }
+            buff_idx += 2 * Nd;
+          }
+
+    assert(node_buff.size() == buff_idx);
+  }
+};
+
+NAMESPACE_END(Grid);

Grid/perfmon/PerfCount.cc

@@ -27,10 +27,13 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 /*  END LEGAL */
 
 #include <Grid/GridCore.h>
-#include <Grid/perfmon/PerfCount.h>
 
+#include <Grid/perfmon/Timer.h>
+#include <Grid/perfmon/PerfCount.h>
 NAMESPACE_BEGIN(Grid);
 
+GridTimePoint theProgramStart = GridClock::now();
+
 #define CacheControl(L,O,R) ((PERF_COUNT_HW_CACHE_##L)|(PERF_COUNT_HW_CACHE_OP_##O<<8)| (PERF_COUNT_HW_CACHE_RESULT_##R<<16))
 #define RawConfig(A,B) (A<<8|B)
 const PerformanceCounter::PerformanceCounterConfig PerformanceCounter::PerformanceCounterConfigs [] = {