Hadrons: faster A2A matrix load

This reverts commit 10fc263675.

.gitignore

@@ -83,6 +83,7 @@ ltmain.sh
 .Trashes
 ehthumbs.db
 Thumbs.db
+.dirstamp
 
 # build directory #
 ###################
@@ -97,11 +98,8 @@ build.sh
 
 # Eigen source #
 ################
-lib/Eigen/*
-
-# FFTW source #
-################
-lib/fftw/*
+Grid/Eigen
+Eigen/*
 
 # libtool macros #
 ##################
@@ -112,21 +110,7 @@ m4/libtool.m4
 ################
 gh-pages/
 
-# Buck files #
-##############
-.buck*
-buck-out
-BUCK
-make-bin-BUCK.sh
-
 # generated sources #
 #####################
-lib/qcd/spin/gamma-gen/*.h
-lib/qcd/spin/gamma-gen/*.cc
-lib/version.h
-
-# vs code editor files #
-########################
-.vscode/
-.vscode/settings.json
-settings.json
+Grid/qcd/spin/gamma-gen/*.h
+Grid/qcd/spin/gamma-gen/*.cc

.travis.yml

@@ -9,6 +9,11 @@ matrix:
     - 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`
@@ -16,9 +21,11 @@ before_install:
     - if [[ "$TRAVIS_OS_NAME" == "linux" ]] && [[ "$CC" == "clang" ]]; then export PATH="${GRIDDIR}/clang/bin:${PATH}"; fi
     - if [[ "$TRAVIS_OS_NAME" == "linux" ]] && [[ "$CC" == "clang" ]]; then export LD_LIBRARY_PATH="${GRIDDIR}/clang/lib:${LD_LIBRARY_PATH}"; fi
     - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew update; fi
-    - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew install libmpc; fi
+    - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew install libmpc openssl; fi
     
 install:
+    - export CWD=`pwd`
+    - echo $CWD
     - export CC=$CC$VERSION
     - export CXX=$CXX$VERSION
     - echo $PATH
@@ -31,17 +38,24 @@ install:
     - which $CXX
     - $CXX --version
     - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then export LDFLAGS='-L/usr/local/lib'; fi
+    - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then export EXTRACONF='--with-openssl=/usr/local/opt/openssl'; fi
     
 script:
     - ./bootstrap.sh
     - mkdir build
     - cd build
-    - ../configure --enable-precision=single --enable-simd=SSE4 --enable-comms=none
+    - mkdir lime
+    - cd lime
+    - mkdir build
+    - cd build
+    - wget http://usqcd-software.github.io/downloads/c-lime/lime-1.3.2.tar.gz
+    - tar xf lime-1.3.2.tar.gz
+    - cd lime-1.3.2
+    - ./configure --prefix=$CWD/build/lime/install
     - make -j4
-    - ./benchmarks/Benchmark_dwf --threads 1 --debug-signals
-    - echo make clean
-    - ../configure --enable-precision=double --enable-simd=SSE4 --enable-comms=none
+    - 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/GridCore.h

@@ -48,6 +48,7 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #include <Grid/serialisation/Serialisation.h>
 #include <Grid/threads/Threads.h>
 #include <Grid/util/Util.h>
+#include <Grid/util/Sha.h>
 #include <Grid/communicator/Communicator.h> 
 #include <Grid/cartesian/Cartesian.h>    
 #include <Grid/tensors/Tensors.h>      

Grid/Grid_Eigen_Dense.h

@@ -1,4 +1,9 @@
 #pragma once
+// Force Eigen to use MKL if Grid has been configured with --enable-mkl
+#ifdef USE_MKL
+#define EIGEN_USE_MKL_ALL
+#endif
+
 #if defined __GNUC__
 #pragma GCC diagnostic push
 #pragma GCC diagnostic ignored "-Wdeprecated-declarations"

Grid/Makefile.am

@@ -21,6 +21,32 @@ if BUILD_HDF5
   extra_headers+=serialisation/Hdf5Type.h
 endif
 
+all: version-cache
+
+version-cache:
+	@if [ `git status --porcelain | grep -v '??' | wc -l` -gt 0 ]; then\
+		a="uncommited changes";\
+	else\
+		a="clean";\
+	fi;\
+	echo "`git log -n 1 --format=format:"#define GITHASH \\"%H:%d $$a\\"%n" HEAD`" > vertmp;\
+	if [ -e version-cache ]; then\
+		d=`diff vertmp version-cache`;\
+		if [ "$${d}" != "" ]; then\
+			mv vertmp version-cache;\
+			rm -f Version.h;\
+		fi;\
+	else\
+		mv vertmp version-cache;\
+		rm -f Version.h;\
+	fi;\
+	rm -f vertmp
+
+Version.h:
+	cp version-cache Version.h
+
+.PHONY: version-cache
+
 #
 # Libraries
 #
@@ -30,8 +56,8 @@ include Eigen.inc
 lib_LIBRARIES = libGrid.a
 
 CCFILES += $(extra_sources)
-HFILES  += $(extra_headers)
+HFILES  += $(extra_headers) Config.h Version.h
 
 libGrid_a_SOURCES              = $(CCFILES)
-libGrid_adir                   = $(pkgincludedir)
-nobase_dist_pkginclude_HEADERS = $(HFILES) $(eigen_files) Config.h
+libGrid_adir                   = $(includedir)/Grid
+nobase_dist_pkginclude_HEADERS = $(HFILES) $(eigen_files) $(eigen_unsupp_files)

Grid/algorithms/Algorithms.h

@@ -48,6 +48,12 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/algorithms/iterative/ConjugateGradientMixedPrec.h>
 #include <Grid/algorithms/iterative/BlockConjugateGradient.h>
 #include <Grid/algorithms/iterative/ConjugateGradientReliableUpdate.h>
+#include <Grid/algorithms/iterative/MinimalResidual.h>
+#include <Grid/algorithms/iterative/GeneralisedMinimalResidual.h>
+#include <Grid/algorithms/iterative/CommunicationAvoidingGeneralisedMinimalResidual.h>
+#include <Grid/algorithms/iterative/FlexibleGeneralisedMinimalResidual.h>
+#include <Grid/algorithms/iterative/FlexibleCommunicationAvoidingGeneralisedMinimalResidual.h>
+#include <Grid/algorithms/iterative/MixedPrecisionFlexibleGeneralisedMinimalResidual.h>
 #include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
 #include <Grid/algorithms/CoarsenedMatrix.h>
 #include <Grid/algorithms/FFT.h>

Grid/algorithms/CoarsenedMatrix.h

@@ -211,6 +211,7 @@ namespace Grid {
 
       for(int b=0;b<nn;b++){
 	
+	subspace[b] = zero;
 	gaussian(RNG,noise);
 	scale = std::pow(norm2(noise),-0.5); 
 	noise=noise*scale;
@@ -296,12 +297,57 @@ namespace Grid {
     };
 
     RealD Mdag (const CoarseVector &in, CoarseVector &out){
-      return M(in,out);
+      // // corresponds to Petrov-Galerkin coarsening
+      // return M(in,out);
+
+      // corresponds to Galerkin coarsening
+      CoarseVector tmp(Grid());
+      G5C(tmp, in);
+      M(tmp, out);
+      G5C(out, out);
+      return norm2(out);
     };
 
-    // Defer support for further coarsening for now
-    void Mdiag    (const CoarseVector &in,  CoarseVector &out){};
-    void Mdir     (const CoarseVector &in,  CoarseVector &out,int dir, int disp){};
+    void Mdir(const CoarseVector &in, CoarseVector &out, int dir, int disp){
+
+      conformable(_grid,in._grid);
+      conformable(in._grid,out._grid);
+
+      SimpleCompressor<siteVector> compressor;
+      Stencil.HaloExchange(in,compressor);
+
+      auto point = [dir, disp](){
+        if(dir == 0 and disp == 0)
+          return 8;
+        else
+          return (4 * dir + 1 - disp) / 2;
+      }();
+
+      parallel_for(int ss=0;ss<Grid()->oSites();ss++){
+        siteVector res = zero;
+        siteVector nbr;
+        int ptype;
+        StencilEntry *SE;
+
+        SE=Stencil.GetEntry(ptype,point,ss);
+
+        if(SE->_is_local&&SE->_permute) {
+          permute(nbr,in._odata[SE->_offset],ptype);
+        } else if(SE->_is_local) {
+          nbr = in._odata[SE->_offset];
+        } else {
+          nbr = Stencil.CommBuf()[SE->_offset];
+        }
+
+        res = res + A[point]._odata[ss]*nbr;
+
+        vstream(out._odata[ss],res);
+      }
+    };
+
+    void Mdiag(const CoarseVector &in, CoarseVector &out){
+      Mdir(in, out, 0, 0); // use the self coupling (= last) point of the stencil
+    };
 
     CoarsenedMatrix(GridCartesian &CoarseGrid) 	: 
 
@@ -417,7 +463,7 @@ namespace Grid {
       std::cout<<GridLogMessage<<"Computed Coarse Operator"<<std::endl;
 #endif
       //      ForceHermitian();
-      AssertHermitian();
+      // AssertHermitian();
       // ForceDiagonal();
     }
     void ForceDiagonal(void) {

Grid/algorithms/LinearOperator.h

@@ -51,7 +51,7 @@ namespace Grid {
 
       virtual void Op     (const Field &in, Field &out) = 0; // Abstract base
       virtual void AdjOp  (const Field &in, Field &out) = 0; // Abstract base
-      virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2)=0;
+      virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2) = 0;
       virtual void HermOp(const Field &in, Field &out)=0;
     };
 
@@ -309,36 +309,59 @@ namespace Grid {
       class SchurStaggeredOperator :  public SchurOperatorBase<Field> {
     protected:
       Matrix &_Mat;
+      Field tmp;
+      RealD mass;
+      double tMpc;
+      double tIP;
+      double tMeo;
+      double taxpby_norm;
+      uint64_t ncall;
     public:
-      SchurStaggeredOperator (Matrix &Mat): _Mat(Mat){};
+      void Report(void)
+      {
+	std::cout << GridLogMessage << " HermOpAndNorm.Mpc "<< tMpc/ncall<<" usec "<<std::endl;
+	std::cout << GridLogMessage << " HermOpAndNorm.IP  "<< tIP /ncall<<" usec "<<std::endl;
+	std::cout << GridLogMessage << " Mpc.MeoMoe        "<< tMeo/ncall<<" usec "<<std::endl;
+	std::cout << GridLogMessage << " Mpc.axpby_norm    "<< taxpby_norm/ncall<<" usec "<<std::endl;
+      }
+      SchurStaggeredOperator (Matrix &Mat): _Mat(Mat), tmp(_Mat.RedBlackGrid()) 
+      { 
+	assert( _Mat.isTrivialEE() );
+	mass = _Mat.Mass();
+	tMpc=0;
+	tIP =0;
+        tMeo=0;
+        taxpby_norm=0;
+	ncall=0;
+      }
       virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-	GridLogIterative.TimingMode(1);
-	std::cout << GridLogIterative << " HermOpAndNorm "<<std::endl;
+	ncall++;
+	tMpc-=usecond();
 	n2 = Mpc(in,out);
-	std::cout << GridLogIterative << " HermOpAndNorm.Mpc "<<std::endl;
+	tMpc+=usecond();
+	tIP-=usecond();
 	ComplexD dot= innerProduct(in,out);
-	std::cout << GridLogIterative << " HermOpAndNorm.innerProduct "<<std::endl;
+	tIP+=usecond();
 	n1 = real(dot);
       }
       virtual void HermOp(const Field &in, Field &out){
-	std::cout << GridLogIterative << " HermOp "<<std::endl;
-	Mpc(in,out);
+	ncall++;
+	tMpc-=usecond();
+	_Mat.Meooe(in,out);
+	_Mat.Meooe(out,tmp);
+	tMpc+=usecond();
+	taxpby_norm-=usecond();
+	axpby(out,-1.0,mass*mass,tmp,in);
+	taxpby_norm+=usecond();
       }
       virtual  RealD Mpc      (const Field &in, Field &out) {
-	Field tmp(in._grid);
-	Field tmp2(in._grid);
-
-	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,tmp2);
-	std::cout << GridLogIterative << " HermOp.MeooeMeooe "<<std::endl;
-
-	RealD nn=axpy_norm(out,-1.0,tmp2,tmp);
-	std::cout << GridLogIterative << " HermOp.axpy_norm "<<std::endl;
+	_Mat.Meooe(out,tmp);
+	tMeo+=usecond();
+	taxpby_norm-=usecond();
+	RealD nn=axpby_norm(out,-1.0,mass*mass,tmp,in);
+	taxpby_norm+=usecond();
 	return nn;
       }
       virtual  RealD MpcDag   (const Field &in, Field &out){
@@ -357,6 +380,12 @@ namespace Grid {
     template<class Field> class OperatorFunction {
     public:
       virtual void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) = 0;
+      virtual void operator() (LinearOperatorBase<Field> &Linop, const std::vector<Field> &in,std::vector<Field> &out) {
+	assert(in.size()==out.size());
+	for(int k=0;k<in.size();k++){
+	  (*this)(Linop,in[k],out[k]);
+	}
+      };
     };
 
     template<class Field> class LinearFunction {

Grid/algorithms/SparseMatrix.h

@@ -55,6 +55,14 @@ namespace Grid {
     template<class Field> class CheckerBoardedSparseMatrixBase : public SparseMatrixBase<Field> {
     public:
       virtual GridBase *RedBlackGrid(void)=0;
+
+      //////////////////////////////////////////////////////////////////////
+      // Query the even even properties to make algorithmic decisions
+      //////////////////////////////////////////////////////////////////////
+      virtual RealD  Mass(void)        { return 0.0; };
+      virtual int    ConstEE(void)     { return 0; }; // Disable assumptions unless overridden
+      virtual int    isTrivialEE(void) { return 0; }; // by a derived class that knows better
+
       // half checkerboard operaions
       virtual  void Meooe    (const Field &in, Field &out)=0;
       virtual  void Mooee    (const Field &in, Field &out)=0;

Grid/algorithms/iterative/BlockConjugateGradient.h

@@ -33,7 +33,7 @@ directory
 
 namespace Grid {
 
-enum BlockCGtype { BlockCG, BlockCGrQ, CGmultiRHS };
+enum BlockCGtype { BlockCG, BlockCGrQ, CGmultiRHS, BlockCGVec, BlockCGrQVec };
 
 //////////////////////////////////////////////////////////////////////////
 // Block conjugate gradient. Dimension zero should be the block direction
@@ -42,7 +42,6 @@ template <class Field>
 class BlockConjugateGradient : public OperatorFunction<Field> {
  public:
 
-
   typedef typename Field::scalar_type scomplex;
 
   int blockDim ;
@@ -54,21 +53,15 @@ class BlockConjugateGradient : public OperatorFunction<Field> {
   RealD Tolerance;
   Integer MaxIterations;
   Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+  Integer PrintInterval; //GridLogMessages or Iterative
   
   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)
+    : Tolerance(tol), CGtype(cgtype),   blockDim(_Orthog),  MaxIterations(maxit), ErrorOnNoConverge(err_on_no_conv),PrintInterval(100)
   {};
 
 ////////////////////////////////////////////////////////////////////////////////////////////////////
 // Thin QR factorisation (google it)
 ////////////////////////////////////////////////////////////////////////////////////////////////////
-void ThinQRfact (Eigen::MatrixXcd &m_rr,
-		 Eigen::MatrixXcd &C,
-		 Eigen::MatrixXcd &Cinv,
-		 Field & Q,
-		 const Field & R)
-{
-  int Orthog = blockDim; // First dimension is block dim; this is an assumption
   ////////////////////////////////////////////////////////////////////////////////////////////////////
   //Dimensions
   // R_{ferm x Nblock} =  Q_{ferm x Nblock} x  C_{Nblock x Nblock} -> ferm x Nblock
@@ -85,22 +78,20 @@ void ThinQRfact (Eigen::MatrixXcd &m_rr,
   // Cdag C = Rdag R ; passes.
   // QdagQ  = 1      ; passes
   ////////////////////////////////////////////////////////////////////////////////////////////////////
+void ThinQRfact (Eigen::MatrixXcd &m_rr,
+		 Eigen::MatrixXcd &C,
+		 Eigen::MatrixXcd &Cinv,
+		 Field & Q,
+		 const Field & R)
+{
+  int Orthog = blockDim; // First dimension is block dim; this is an assumption
   sliceInnerProductMatrix(m_rr,R,R,Orthog);
 
   // Force manifest hermitian to avoid rounding related
   m_rr = 0.5*(m_rr+m_rr.adjoint());
 
-#if 0
-  std::cout << " Calling Cholesky  ldlt on m_rr "  << m_rr <<std::endl;
-  Eigen::MatrixXcd L_ldlt = m_rr.ldlt().matrixL(); 
-  std::cout << " Called Cholesky  ldlt on m_rr "  << L_ldlt <<std::endl;
-  auto  D_ldlt = m_rr.ldlt().vectorD(); 
-  std::cout << " Called Cholesky  ldlt on m_rr "  << D_ldlt <<std::endl;
-#endif
-
-  //  std::cout << " Calling Cholesky  llt on m_rr "  <<std::endl;
   Eigen::MatrixXcd L    = m_rr.llt().matrixL(); 
-  //  std::cout << " Called Cholesky  llt on m_rr "  << L <<std::endl;
+
   C    = L.adjoint();
   Cinv = C.inverse();
   ////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -112,6 +103,25 @@ void ThinQRfact (Eigen::MatrixXcd &m_rr,
   ////////////////////////////////////////////////////////////////////////////////////////////////////
   sliceMulMatrix(Q,Cinv,R,Orthog);
 }
+// see comments above
+void ThinQRfact (Eigen::MatrixXcd &m_rr,
+		 Eigen::MatrixXcd &C,
+		 Eigen::MatrixXcd &Cinv,
+		 std::vector<Field> & Q,
+		 const std::vector<Field> & R)
+{
+  InnerProductMatrix(m_rr,R,R);
+
+  m_rr = 0.5*(m_rr+m_rr.adjoint());
+
+  Eigen::MatrixXcd L    = m_rr.llt().matrixL(); 
+
+  C    = L.adjoint();
+  Cinv = C.inverse();
+
+  MulMatrix(Q,Cinv,R);
+}
+
 ////////////////////////////////////////////////////////////////////////////////////////////////////
 // Call one of several implementations
 ////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -119,14 +129,20 @@ void operator()(LinearOperatorBase<Field> &Linop, const Field &Src, Field &Psi)
 {
   if ( CGtype == BlockCGrQ ) {
     BlockCGrQsolve(Linop,Src,Psi);
-  } else if (CGtype == BlockCG ) {
-    BlockCGsolve(Linop,Src,Psi);
   } else if (CGtype == CGmultiRHS ) {
     CGmultiRHSsolve(Linop,Src,Psi);
   } else {
     assert(0);
   }
 }
+virtual void operator()(LinearOperatorBase<Field> &Linop, const std::vector<Field> &Src, std::vector<Field> &Psi) 
+{
+  if ( CGtype == BlockCGrQVec ) {
+    BlockCGrQsolveVec(Linop,Src,Psi);
+  } else {
+    assert(0);
+  }
+}
 
 ////////////////////////////////////////////////////////////////////////////
 // BlockCGrQ implementation:
@@ -139,7 +155,8 @@ void BlockCGrQsolve(LinearOperatorBase<Field> &Linop, const Field &B, Field &X)
 {
   int Orthog = blockDim; // First dimension is block dim; this is an assumption
   Nblock = B._grid->_fdimensions[Orthog];
-
+/* FAKE */
+  Nblock=8;
   std::cout<<GridLogMessage<<" Block Conjugate Gradient : Orthog "<<Orthog<<" Nblock "<<Nblock<<std::endl;
 
   X.checkerboard = B.checkerboard;
@@ -202,15 +219,10 @@ void BlockCGrQsolve(LinearOperatorBase<Field> &Linop, const Field &B, Field &X)
   std::cout << GridLogMessage<<"BlockCGrQ algorithm initialisation " <<std::endl;
 
   //1.  QC = R = B-AX, D = Q     ; QC => Thin QR factorisation (google it)
-
   Linop.HermOp(X, AD);
   tmp = B - AD;  
-  //std::cout << GridLogMessage << " initial tmp " << norm2(tmp)<< std::endl;
+
   ThinQRfact (m_rr, m_C, m_Cinv, Q, tmp);
-  //std::cout << GridLogMessage << " initial Q " << norm2(Q)<< std::endl;
-  //std::cout << GridLogMessage << " m_rr " << m_rr<<std::endl;
-  //std::cout << GridLogMessage << " m_C " << m_C<<std::endl;
-  //std::cout << GridLogMessage << " m_Cinv " << m_Cinv<<std::endl;
   D=Q;
 
   std::cout << GridLogMessage<<"BlockCGrQ computed initial residual and QR fact " <<std::endl;
@@ -232,14 +244,12 @@ void BlockCGrQsolve(LinearOperatorBase<Field> &Linop, const Field &B, Field &X)
     MatrixTimer.Start();
     Linop.HermOp(D, Z);      
     MatrixTimer.Stop();
-    //std::cout << GridLogMessage << " norm2 Z " <<norm2(Z)<<std::endl;
 
     //4. M  = [D^dag Z]^{-1}
     sliceInnerTimer.Start();
     sliceInnerProductMatrix(m_DZ,D,Z,Orthog);
     sliceInnerTimer.Stop();
     m_M       = m_DZ.inverse();
-    //std::cout << GridLogMessage << " m_DZ " <<m_DZ<<std::endl;
     
     //5. X  = X + D MC
     m_tmp     = m_M * m_C;
@@ -257,6 +267,7 @@ void BlockCGrQsolve(LinearOperatorBase<Field> &Linop, const Field &B, Field &X)
     
     //7. D  = Q + D S^dag
     m_tmp = m_S.adjoint();
+
     sliceMaddTimer.Start();
     sliceMaddMatrix(D,m_tmp,D,Q,Orthog);
     sliceMaddTimer.Stop();
@@ -317,152 +328,6 @@ void BlockCGrQsolve(LinearOperatorBase<Field> &Linop, const Field &B, Field &X)
   IterationsToComplete = k;
 }
 //////////////////////////////////////////////////////////////////////////
-// Block conjugate gradient; Original O'Leary Dimension zero should be the block direction
-//////////////////////////////////////////////////////////////////////////
-void BlockCGsolve(LinearOperatorBase<Field> &Linop, const Field &Src, Field &Psi) 
-{
-  int Orthog = blockDim; // First dimension is block dim; this is an assumption
-  Nblock = Src._grid->_fdimensions[Orthog];
-
-  std::cout<<GridLogMessage<<" Block Conjugate Gradient : Orthog "<<Orthog<<" Nblock "<<Nblock<<std::endl;
-
-  Psi.checkerboard = Src.checkerboard;
-  conformable(Psi, Src);
-
-  Field P(Src);
-  Field AP(Src);
-  Field R(Src);
-  
-  Eigen::MatrixXcd m_pAp    = Eigen::MatrixXcd::Identity(Nblock,Nblock);
-  Eigen::MatrixXcd m_pAp_inv= Eigen::MatrixXcd::Identity(Nblock,Nblock);
-  Eigen::MatrixXcd m_rr     = Eigen::MatrixXcd::Zero(Nblock,Nblock);
-  Eigen::MatrixXcd m_rr_inv = Eigen::MatrixXcd::Zero(Nblock,Nblock);
-
-  Eigen::MatrixXcd m_alpha      = Eigen::MatrixXcd::Zero(Nblock,Nblock);
-  Eigen::MatrixXcd m_beta   = Eigen::MatrixXcd::Zero(Nblock,Nblock);
-
-  // Initial residual computation & set up
-  std::vector<RealD> residuals(Nblock);
-  std::vector<RealD> ssq(Nblock);
-
-  sliceNorm(ssq,Src,Orthog);
-  RealD sssum=0;
-  for(int b=0;b<Nblock;b++) sssum+=ssq[b];
-
-  sliceNorm(residuals,Src,Orthog);
-  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
-
-  sliceNorm(residuals,Psi,Orthog);
-  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
-
-  // Initial search dir is guess
-  Linop.HermOp(Psi, AP);
-  
-
-  /************************************************************************
-   * Block conjugate gradient (Stephen Pickles, thesis 1995, pp 71, O Leary 1980)
-   ************************************************************************
-   * O'Leary : R = B - A X
-   * O'Leary : P = M R ; preconditioner M = 1
-   * O'Leary : alpha = PAP^{-1} RMR
-   * O'Leary : beta  = RMR^{-1}_old RMR_new
-   * O'Leary : X=X+Palpha
-   * O'Leary : R_new=R_old-AP alpha
-   * O'Leary : P=MR_new+P beta
-   */
-
-  R = Src - AP;  
-  P = R;
-  sliceInnerProductMatrix(m_rr,R,R,Orthog);
-
-  GridStopWatch sliceInnerTimer;
-  GridStopWatch sliceMaddTimer;
-  GridStopWatch MatrixTimer;
-  GridStopWatch SolverTimer;
-  SolverTimer.Start();
-
-  int k;
-  for (k = 1; k <= MaxIterations; k++) {
-
-    RealD rrsum=0;
-    for(int b=0;b<Nblock;b++) rrsum+=real(m_rr(b,b));
-
-    std::cout << GridLogIterative << "\titeration "<<k<<" rr_sum "<<rrsum<<" ssq_sum "<< sssum
-	      <<" / "<<std::sqrt(rrsum/sssum) <<std::endl;
-
-    MatrixTimer.Start();
-    Linop.HermOp(P, AP);
-    MatrixTimer.Stop();
-
-    // Alpha
-    sliceInnerTimer.Start();
-    sliceInnerProductMatrix(m_pAp,P,AP,Orthog);
-    sliceInnerTimer.Stop();
-    m_pAp_inv = m_pAp.inverse();
-    m_alpha   = m_pAp_inv * m_rr ;
-
-    // Psi, R update
-    sliceMaddTimer.Start();
-    sliceMaddMatrix(Psi,m_alpha, P,Psi,Orthog);     // add alpha *  P to psi
-    sliceMaddMatrix(R  ,m_alpha,AP,  R,Orthog,-1.0);// sub alpha * AP to resid
-    sliceMaddTimer.Stop();
-
-    // Beta
-    m_rr_inv = m_rr.inverse();
-    sliceInnerTimer.Start();
-    sliceInnerProductMatrix(m_rr,R,R,Orthog);
-    sliceInnerTimer.Stop();
-    m_beta = m_rr_inv *m_rr;
-
-    // Search update
-    sliceMaddTimer.Start();
-    sliceMaddMatrix(AP,m_beta,P,R,Orthog);
-    sliceMaddTimer.Stop();
-    P= AP;
-
-    /*********************
-     * convergence monitor
-     *********************
-     */
-    RealD max_resid=0;
-    RealD rr;
-    for(int b=0;b<Nblock;b++){
-      rr = real(m_rr(b,b))/ssq[b];
-      if ( rr > max_resid ) max_resid = rr;
-    }
-    
-    if ( max_resid < Tolerance*Tolerance ) { 
-
-      SolverTimer.Stop();
-
-      std::cout << GridLogMessage<<"BlockCG converged in "<<k<<" iterations"<<std::endl;
-      for(int b=0;b<Nblock;b++){
-	std::cout << GridLogMessage<< "\t\tblock "<<b<<" computed resid "
-		  << std::sqrt(real(m_rr(b,b))/ssq[b])<<std::endl;
-      }
-      std::cout << GridLogMessage<<"\tMax residual is "<<std::sqrt(max_resid)<<std::endl;
-
-      Linop.HermOp(Psi, AP);
-      AP = AP-Src;
-      std::cout << GridLogMessage <<"\t True residual is " << std::sqrt(norm2(AP)/norm2(Src)) <<std::endl;
-
-      std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
-      std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
-      std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed()     <<std::endl;
-      std::cout << GridLogMessage << "\tInnerProd  " << sliceInnerTimer.Elapsed() <<std::endl;
-      std::cout << GridLogMessage << "\tMaddMatrix " << sliceMaddTimer.Elapsed()  <<std::endl;
-	    
-      IterationsToComplete = k;
-      return;
-    }
-
-  }
-  std::cout << GridLogMessage << "BlockConjugateGradient did NOT converge" << std::endl;
-
-  if (ErrorOnNoConverge) assert(0);
-  IterationsToComplete = k;
-}
-//////////////////////////////////////////////////////////////////////////
 // multiRHS conjugate gradient. Dimension zero should be the block direction
 // Use this for spread out across nodes
 //////////////////////////////////////////////////////////////////////////
@@ -600,6 +465,233 @@ void CGmultiRHSsolve(LinearOperatorBase<Field> &Linop, const Field &Src, Field &
   IterationsToComplete = k;
 }
 
+void InnerProductMatrix(Eigen::MatrixXcd &m , const std::vector<Field> &X, const std::vector<Field> &Y){
+  for(int b=0;b<Nblock;b++){
+  for(int bp=0;bp<Nblock;bp++) {
+    m(b,bp) = innerProduct(X[b],Y[bp]);  
+  }}
+}
+void MaddMatrix(std::vector<Field> &AP, Eigen::MatrixXcd &m , const std::vector<Field> &X,const std::vector<Field> &Y,RealD scale=1.0){
+  // Should make this cache friendly with site outermost, parallel_for
+  // Deal with case AP aliases with either Y or X
+  std::vector<Field> tmp(Nblock,X[0]);
+  for(int b=0;b<Nblock;b++){
+    tmp[b]   = Y[b];
+    for(int bp=0;bp<Nblock;bp++) {
+      tmp[b] = tmp[b] + (scale*m(bp,b))*X[bp]; 
+    }
+  }
+  for(int b=0;b<Nblock;b++){
+    AP[b] = tmp[b];
+  }
+}
+void MulMatrix(std::vector<Field> &AP, Eigen::MatrixXcd &m , const std::vector<Field> &X){
+  // Should make this cache friendly with site outermost, parallel_for
+  for(int b=0;b<Nblock;b++){
+    AP[b] = zero;
+    for(int bp=0;bp<Nblock;bp++) {
+      AP[b] += (m(bp,b))*X[bp]; 
+    }
+  }
+}
+double normv(const std::vector<Field> &P){
+  double nn = 0.0;
+  for(int b=0;b<Nblock;b++) {
+    nn+=norm2(P[b]);
+  }
+  return nn;
+}
+
+////////////////////////////////////////////////////////////////////////////
+// BlockCGrQvec implementation:
+//--------------------------
+// X is guess/Solution
+// B is RHS
+// Solve A X_i = B_i    ;        i refers to Nblock index
+////////////////////////////////////////////////////////////////////////////
+void BlockCGrQsolveVec(LinearOperatorBase<Field> &Linop, const std::vector<Field> &B, std::vector<Field> &X) 
+{
+  Nblock = B.size();
+  assert(Nblock == X.size());
+
+  std::cout<<GridLogMessage<<" Block Conjugate Gradient Vec rQ : Nblock "<<Nblock<<std::endl;
+
+  for(int b=0;b<Nblock;b++){ 
+    X[b].checkerboard = B[b].checkerboard;
+    conformable(X[b], B[b]);
+    conformable(X[b], X[0]); 
+  }
+
+  Field Fake(B[0]);
+
+  std::vector<Field> tmp(Nblock,Fake);
+  std::vector<Field>   Q(Nblock,Fake);
+  std::vector<Field>   D(Nblock,Fake);
+  std::vector<Field>   Z(Nblock,Fake);
+  std::vector<Field>  AD(Nblock,Fake);
+
+  Eigen::MatrixXcd m_DZ     = Eigen::MatrixXcd::Identity(Nblock,Nblock);
+  Eigen::MatrixXcd m_M      = Eigen::MatrixXcd::Identity(Nblock,Nblock);
+  Eigen::MatrixXcd m_rr     = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+
+  Eigen::MatrixXcd m_C      = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+  Eigen::MatrixXcd m_Cinv   = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+  Eigen::MatrixXcd m_S      = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+  Eigen::MatrixXcd m_Sinv   = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+
+  Eigen::MatrixXcd m_tmp    = Eigen::MatrixXcd::Identity(Nblock,Nblock);
+  Eigen::MatrixXcd m_tmp1   = Eigen::MatrixXcd::Identity(Nblock,Nblock);
+
+  // Initial residual computation & set up
+  std::vector<RealD> residuals(Nblock);
+  std::vector<RealD> ssq(Nblock);
+
+  RealD sssum=0;
+  for(int b=0;b<Nblock;b++){ ssq[b] = norm2(B[b]);}
+  for(int b=0;b<Nblock;b++) sssum+=ssq[b];
+
+  for(int b=0;b<Nblock;b++){ residuals[b] = norm2(B[b]);}
+  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
+
+  for(int b=0;b<Nblock;b++){ residuals[b] = norm2(X[b]);}
+  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
+
+  /************************************************************************
+   * Block conjugate gradient rQ (Sebastien Birk Thesis, after Dubrulle 2001)
+   ************************************************************************
+   * Dimensions:
+   *
+   *   X,B==(Nferm x Nblock)
+   *   A==(Nferm x Nferm)
+   *  
+   * Nferm = Nspin x Ncolour x Ncomplex x Nlattice_site
+   * 
+   * QC = R = B-AX, D = Q     ; QC => Thin QR factorisation (google it)
+   * for k: 
+   *   Z  = AD
+   *   M  = [D^dag Z]^{-1}
+   *   X  = X + D MC
+   *   QS = Q - ZM
+   *   D  = Q + D S^dag
+   *   C  = S C
+   */
+  ///////////////////////////////////////
+  // Initial block: initial search dir is guess
+  ///////////////////////////////////////
+  std::cout << GridLogMessage<<"BlockCGrQvec algorithm initialisation " <<std::endl;
+
+  //1.  QC = R = B-AX, D = Q     ; QC => Thin QR factorisation (google it)
+  for(int b=0;b<Nblock;b++) {
+    Linop.HermOp(X[b], AD[b]);
+    tmp[b] = B[b] - AD[b];  
+  }
+
+  ThinQRfact (m_rr, m_C, m_Cinv, Q, tmp);
+
+  for(int b=0;b<Nblock;b++) D[b]=Q[b];
+
+  std::cout << GridLogMessage<<"BlockCGrQ vec computed initial residual and QR fact " <<std::endl;
+
+  ///////////////////////////////////////
+  // Timers
+  ///////////////////////////////////////
+  GridStopWatch sliceInnerTimer;
+  GridStopWatch sliceMaddTimer;
+  GridStopWatch QRTimer;
+  GridStopWatch MatrixTimer;
+  GridStopWatch SolverTimer;
+  SolverTimer.Start();
+
+  int k;
+  for (k = 1; k <= MaxIterations; k++) {
+
+    //3. Z  = AD
+    MatrixTimer.Start();
+    for(int b=0;b<Nblock;b++) Linop.HermOp(D[b], Z[b]);      
+    MatrixTimer.Stop();
+
+    //4. M  = [D^dag Z]^{-1}
+    sliceInnerTimer.Start();
+    InnerProductMatrix(m_DZ,D,Z);
+    sliceInnerTimer.Stop();
+    m_M       = m_DZ.inverse();
+    
+    //5. X  = X + D MC
+    m_tmp     = m_M * m_C;
+    sliceMaddTimer.Start();
+    MaddMatrix(X,m_tmp, D,X);     
+    sliceMaddTimer.Stop();
+
+    //6. QS = Q - ZM
+    sliceMaddTimer.Start();
+    MaddMatrix(tmp,m_M,Z,Q,-1.0);
+    sliceMaddTimer.Stop();
+    QRTimer.Start();
+    ThinQRfact (m_rr, m_S, m_Sinv, Q, tmp);
+    QRTimer.Stop();
+    
+    //7. D  = Q + D S^dag
+    m_tmp = m_S.adjoint();
+    sliceMaddTimer.Start();
+    MaddMatrix(D,m_tmp,D,Q);
+    sliceMaddTimer.Stop();
+
+    //8. C  = S C
+    m_C = m_S*m_C;
+    
+    /*********************
+     * convergence monitor
+     *********************
+     */
+    m_rr = m_C.adjoint() * m_C;
+
+    RealD max_resid=0;
+    RealD rrsum=0;
+    RealD rr;
+
+    for(int b=0;b<Nblock;b++) {
+      rrsum+=real(m_rr(b,b));
+      rr = real(m_rr(b,b))/ssq[b];
+      if ( rr > max_resid ) max_resid = rr;
+    }
+
+    std::cout << GridLogIterative << "\t Block Iteration "<<k<<" ave resid "<< sqrt(rrsum/sssum) << " max "<< sqrt(max_resid) <<std::endl;
+
+    if ( max_resid < Tolerance*Tolerance ) { 
+
+      SolverTimer.Stop();
+
+      std::cout << GridLogMessage<<"BlockCGrQ converged in "<<k<<" iterations"<<std::endl;
+
+      for(int b=0;b<Nblock;b++){
+	std::cout << GridLogMessage<< "\t\tblock "<<b<<" computed resid "<< std::sqrt(real(m_rr(b,b))/ssq[b])<<std::endl;
+      }
+      std::cout << GridLogMessage<<"\tMax residual is "<<std::sqrt(max_resid)<<std::endl;
+
+      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;
+
+      std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
+      std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tInnerProd  " << sliceInnerTimer.Elapsed() <<std::endl;
+      std::cout << GridLogMessage << "\tMaddMatrix " << sliceMaddTimer.Elapsed()  <<std::endl;
+      std::cout << GridLogMessage << "\tThinQRfact " << QRTimer.Elapsed()  <<std::endl;
+	    
+      IterationsToComplete = k;
+      return;
+    }
+
+  }
+  std::cout << GridLogMessage << "BlockConjugateGradient(rQ) did NOT converge" << std::endl;
+
+  if (ErrorOnNoConverge) assert(0);
+  IterationsToComplete = k;
+}
+
+
+
 };
 
 }

Grid/algorithms/iterative/CommunicationAvoidingGeneralisedMinimalResidual.h

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

Grid/algorithms/iterative/ConjugateGradient.h

@@ -54,6 +54,7 @@ class ConjugateGradient : public OperatorFunction<Field> {
 
   void operator()(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi) {
 
+
     psi.checkerboard = src.checkerboard;
     conformable(psi, src);
 
@@ -70,7 +71,6 @@ class ConjugateGradient : public OperatorFunction<Field> {
     
     Linop.HermOpAndNorm(psi, mmp, d, b);
 
-
     r = src - mmp;
     p = r;
 
@@ -96,38 +96,44 @@ class ConjugateGradient : public OperatorFunction<Field> {
               << "ConjugateGradient: k=0 residual " << cp << " target " << rsq << std::endl;
 
     GridStopWatch LinalgTimer;
+    GridStopWatch InnerTimer;
+    GridStopWatch AxpyNormTimer;
+    GridStopWatch LinearCombTimer;
     GridStopWatch MatrixTimer;
     GridStopWatch SolverTimer;
 
     SolverTimer.Start();
     int k;
-    for (k = 1; k <= MaxIterations; k++) {
+    for (k = 1; k <= MaxIterations*1000; k++) {
       c = cp;
 
       MatrixTimer.Start();
-      Linop.HermOpAndNorm(p, mmp, d, qq);
+      Linop.HermOp(p, mmp);
       MatrixTimer.Stop();
 
       LinalgTimer.Start();
-      //  RealD    qqck = norm2(mmp);
-      //  ComplexD dck  = innerProduct(p,mmp);
 
+      InnerTimer.Start();
+      ComplexD dc  = innerProduct(p,mmp);
+      InnerTimer.Stop();
+      d = dc.real();
       a = c / d;
-      b_pred = a * (a * qq - d) / c;
 
+      AxpyNormTimer.Start();
       cp = axpy_norm(r, -a, mmp, r);
+      AxpyNormTimer.Stop();
       b = cp / c;
 
-      // Fuse these loops ; should be really easy
-      psi = a * p + psi;
-      p = p * b + r;
-
+      LinearCombTimer.Start();
+      parallel_for(int ss=0;ss<src._grid->oSites();ss++){
+	vstream(psi[ss], a      *  p[ss] + psi[ss]);
+	vstream(p  [ss], b      *  p[ss] + r[ss]);
+      }
+      LinearCombTimer.Stop();
       LinalgTimer.Stop();
 
       std::cout << GridLogIterative << "ConjugateGradient: Iteration " << k
-                << " residual " << cp << " target " << rsq << std::endl;
-      std::cout << GridLogDebug << "a = "<< a << " b_pred = "<< b_pred << "  b = "<< b << std::endl;
-      std::cout << GridLogDebug << "qq = "<< qq << " d = "<< d << "  c = "<< c << std::endl;
+                << " residual^2 " << sqrt(cp/ssq) << " target " << Tolerance << std::endl;
 
       // Stopping condition
       if (cp <= rsq) {
@@ -148,6 +154,9 @@ class ConjugateGradient : public OperatorFunction<Field> {
 	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);
 

Grid/algorithms/iterative/ConjugateGradientMultiShift.h

@@ -43,6 +43,7 @@ namespace Grid {
 public:                                                
     RealD   Tolerance;
     Integer MaxIterations;
+    Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
     int verbose;
     MultiShiftFunction shifts;
 
@@ -164,6 +165,15 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
     axpby(psi[s],0.,-bs[s]*alpha[s],src,src);
   }
  
+  ///////////////////////////////////////
+  // Timers
+  ///////////////////////////////////////
+  GridStopWatch AXPYTimer;
+  GridStopWatch ShiftTimer;
+  GridStopWatch QRTimer;
+  GridStopWatch MatrixTimer;
+  GridStopWatch SolverTimer;
+  SolverTimer.Start();
   
   // Iteration loop
   int k;
@@ -171,7 +181,9 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
   for (k=1;k<=MaxIterations;k++){
     
     a = c /cp;
+    AXPYTimer.Start();
     axpy(p,a,p,r);
+    AXPYTimer.Stop();
     
     // Note to self - direction ps is iterated seperately
     // for each shift. Does not appear to have any scope
@@ -180,6 +192,7 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
     // However SAME r is used. Could load "r" and update
     // ALL ps[s]. 2/3 Bandwidth saving
     // New Kernel: Load r, vector of coeffs, vector of pointers ps
+    AXPYTimer.Start();
     for(int s=0;s<nshift;s++){
       if ( ! converged[s] ) { 
 	if (s==0){
@@ -190,22 +203,34 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
 	}
       }
     }
+    AXPYTimer.Stop();
     
     cp=c;
+    MatrixTimer.Start();  
+    //Linop.HermOpAndNorm(p,mmp,d,qq); // d is used
+    // The below is faster on KNL
+    Linop.HermOp(p,mmp); 
+    d=real(innerProduct(p,mmp));
     
-    Linop.HermOpAndNorm(p,mmp,d,qq);
+    MatrixTimer.Stop();  
+
+    AXPYTimer.Start();
     axpy(mmp,mass[0],p,mmp);
+    AXPYTimer.Stop();
     RealD rn = norm2(p);
     d += rn*mass[0];
     
     bp=b;
     b=-cp/d;
     
+    AXPYTimer.Start();
     c=axpy_norm(r,b,mmp,r);
+    AXPYTimer.Stop();
 
     // Toggle the recurrence history
     bs[0] = b;
     iz = 1-iz;
+    ShiftTimer.Start();
     for(int s=1;s<nshift;s++){
       if((!converged[s])){
 	RealD z0 = z[s][1-iz];
@@ -215,6 +240,7 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
 	bs[s] = b*z[s][iz]/z0; // NB sign  rel to Mike
       }
     }
+    ShiftTimer.Stop();
     
     for(int s=0;s<nshift;s++){
       int ss = s;
@@ -257,6 +283,9 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
     
     if ( all_converged ){
 
+    SolverTimer.Stop();
+
+
       std::cout<<GridLogMessage<< "CGMultiShift: All shifts have converged iteration "<<k<<std::endl;
       std::cout<<GridLogMessage<< "CGMultiShift: Checking solutions"<<std::endl;
       
@@ -269,8 +298,19 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
 	RealD cn = norm2(src);
 	std::cout<<GridLogMessage<<"CGMultiShift: shift["<<s<<"] true residual "<<std::sqrt(rn/cn)<<std::endl;
       }
+
+      std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
+      std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tAXPY    " << AXPYTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tMarix    " << MatrixTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tShift    " << ShiftTimer.Elapsed()     <<std::endl;
+
+      IterationsToComplete = k;	
+
       return;
     }
+
+   
   }
   // ugly hack
   std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;

Grid/algorithms/iterative/Deflation.h

@@ -30,22 +30,23 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 namespace Grid { 
 
-struct ZeroGuesser {
+template<class Field>
+class ZeroGuesser: public LinearFunction<Field> {
 public:
-  template<class Field> 
-  void operator()(const Field &src,Field &guess) { guess = Zero(); };
+  virtual void operator()(const Field &src, Field &guess) { guess = zero; };
 };
-struct SourceGuesser {
+
+template<class Field>
+class SourceGuesser: public LinearFunction<Field> {
 public:
-  template<class Field> 
-  void operator()(const Field &src,Field &guess) { guess = src; };
+  virtual void operator()(const Field &src, Field &guess) { guess = src; };
 };
 
 ////////////////////////////////
 // Fine grid deflation
 ////////////////////////////////
 template<class Field>
-struct DeflatedGuesser {
+class DeflatedGuesser: public LinearFunction<Field> {
 private:
   const std::vector<Field> &evec;
   const std::vector<RealD> &eval;
@@ -54,7 +55,7 @@ public:
 
   DeflatedGuesser(const std::vector<Field> & _evec,const std::vector<RealD> & _eval) : evec(_evec), eval(_eval) {};
 
-  void operator()(const Field &src,Field &guess) { 
+  virtual void operator()(const Field &src,Field &guess) {
     guess = zero;
     assert(evec.size()==eval.size());
     auto N = evec.size();
@@ -62,11 +63,12 @@ public:
       const Field& tmp = evec[i];
       axpy(guess,TensorRemove(innerProduct(tmp,src)) / eval[i],tmp,guess);
     }
+    guess.checkerboard = src.checkerboard;
   }
 };
 
 template<class FineField, class CoarseField>
-class LocalCoherenceDeflatedGuesser {
+class LocalCoherenceDeflatedGuesser: public LinearFunction<FineField> {
 private:
   const std::vector<FineField>   &subspace;
   const std::vector<CoarseField> &evec_coarse;
@@ -92,6 +94,7 @@ public:
       axpy(guess_coarse,TensorRemove(innerProduct(tmp,src_coarse)) / eval_coarse[i],tmp,guess_coarse);
     }
     blockPromote(guess_coarse,guess,subspace);
+    guess.checkerboard = src.checkerboard;
   };
 };
 

Grid/algorithms/iterative/FlexibleCommunicationAvoidingGeneralisedMinimalResidual.h

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

Grid/algorithms/iterative/FlexibleGeneralisedMinimalResidual.h

@@ -0,0 +1,254 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/FlexibleGeneralisedMinimalResidual.h
+
+Copyright (C) 2015
+
+Author: Daniel Richtmann <daniel.richtmann@ur.de>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
+#define GRID_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
+
+namespace Grid {
+
+template<class Field>
+class FlexibleGeneralisedMinimalResidual : public OperatorFunction<Field> {
+ public:
+  bool ErrorOnNoConverge; // Throw an assert when FGMRES fails to converge,
+                          // defaults to true
+
+  RealD   Tolerance;
+
+  Integer MaxIterations;
+  Integer RestartLength;
+  Integer MaxNumberOfRestarts;
+  Integer IterationCount; // Number of iterations the FGMRES took to finish,
+                          // filled in upon completion
+
+  GridStopWatch MatrixTimer;
+  GridStopWatch PrecTimer;
+  GridStopWatch LinalgTimer;
+  GridStopWatch QrTimer;
+  GridStopWatch CompSolutionTimer;
+
+  Eigen::MatrixXcd H;
+
+  std::vector<std::complex<double>> y;
+  std::vector<std::complex<double>> gamma;
+  std::vector<std::complex<double>> c;
+  std::vector<std::complex<double>> s;
+
+  LinearFunction<Field> &Preconditioner;
+
+  FlexibleGeneralisedMinimalResidual(RealD   tol,
+                                     Integer maxit,
+                                     LinearFunction<Field> &Prec,
+                                     Integer restart_length,
+                                     bool    err_on_no_conv = true)
+      : Tolerance(tol)
+      , MaxIterations(maxit)
+      , RestartLength(restart_length)
+      , MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
+      , ErrorOnNoConverge(err_on_no_conv)
+      , H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
+      , y(RestartLength + 1, 0.)
+      , gamma(RestartLength + 1, 0.)
+      , c(RestartLength + 1, 0.)
+      , s(RestartLength + 1, 0.)
+      , Preconditioner(Prec) {};
+
+  void operator()(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi) {
+
+    psi.checkerboard = src.checkerboard;
+    conformable(psi, src);
+
+    RealD guess = norm2(psi);
+    assert(std::isnan(guess) == 0);
+
+    RealD cp;
+    RealD ssq = norm2(src);
+    RealD rsq = Tolerance * Tolerance * ssq;
+
+    Field r(src._grid);
+
+    std::cout << std::setprecision(4) << std::scientific;
+    std::cout << GridLogIterative << "FlexibleGeneralisedMinimalResidual: guess " << guess << std::endl;
+    std::cout << GridLogIterative << "FlexibleGeneralisedMinimalResidual:   src " << ssq   << std::endl;
+
+    PrecTimer.Reset();
+    MatrixTimer.Reset();
+    LinalgTimer.Reset();
+    QrTimer.Reset();
+    CompSolutionTimer.Reset();
+
+    GridStopWatch SolverTimer;
+    SolverTimer.Start();
+
+    IterationCount = 0;
+
+    for (int k=0; k<MaxNumberOfRestarts; k++) {
+
+      cp = outerLoopBody(LinOp, src, psi, rsq);
+
+      // Stopping condition
+      if (cp <= rsq) {
+
+        SolverTimer.Stop();
+
+        LinOp.Op(psi,r);
+        axpy(r,-1.0,src,r);
+
+        RealD srcnorm       = sqrt(ssq);
+        RealD resnorm       = sqrt(norm2(r));
+        RealD true_residual = resnorm / srcnorm;
+
+        std::cout << GridLogMessage        << "FlexibleGeneralisedMinimalResidual: Converged on iteration " << IterationCount
+                  << " computed residual " << sqrt(cp / ssq)
+                  << " true residual "     << true_residual
+                  << " target "            << Tolerance << std::endl;
+
+        std::cout << GridLogMessage << "FGMRES Time elapsed: Total   " <<       SolverTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FGMRES Time elapsed: Precon  " <<         PrecTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FGMRES Time elapsed: Matrix  " <<       MatrixTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FGMRES Time elapsed: Linalg  " <<       LinalgTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FGMRES Time elapsed: QR      " <<           QrTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "FGMRES Time elapsed: CompSol " << CompSolutionTimer.Elapsed() << std::endl;
+        return;
+      }
+    }
+
+    std::cout << GridLogMessage << "FlexibleGeneralisedMinimalResidual did NOT converge" << std::endl;
+
+    if (ErrorOnNoConverge)
+      assert(0);
+  }
+
+  RealD outerLoopBody(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi, RealD rsq) {
+
+    RealD cp = 0;
+
+    Field w(src._grid);
+    Field r(src._grid);
+
+    // these should probably be made class members so that they are only allocated once, not in every restart
+    std::vector<Field> v(RestartLength + 1, src._grid); for (auto &elem : v) elem = zero;
+    std::vector<Field> z(RestartLength + 1, src._grid); for (auto &elem : z) elem = zero;
+
+    MatrixTimer.Start();
+    LinOp.Op(psi, w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    r = src - w;
+
+    gamma[0] = sqrt(norm2(r));
+
+    v[0] = (1. / gamma[0]) * r;
+    LinalgTimer.Stop();
+
+    for (int i=0; i<RestartLength; i++) {
+
+      IterationCount++;
+
+      arnoldiStep(LinOp, v, z, w, i);
+
+      qrUpdate(i);
+
+      cp = std::norm(gamma[i+1]);
+
+      std::cout << GridLogIterative << "FlexibleGeneralisedMinimalResidual: Iteration " << IterationCount
+                << " residual " << cp << " target " << rsq << std::endl;
+
+      if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
+
+        computeSolution(z, psi, i);
+
+        return cp;
+      }
+    }
+
+    assert(0); // Never reached
+    return cp;
+  }
+
+  void arnoldiStep(LinearOperatorBase<Field> &LinOp, std::vector<Field> &v, std::vector<Field> &z, Field &w, int iter) {
+
+    PrecTimer.Start();
+    Preconditioner(v[iter], z[iter]);
+    PrecTimer.Stop();
+
+    MatrixTimer.Start();
+    LinOp.Op(z[iter], w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    for (int i = 0; i <= iter; ++i) {
+      H(iter, i) = innerProduct(v[i], w);
+      w = w - H(iter, i) * v[i];
+    }
+
+    H(iter, iter + 1) = sqrt(norm2(w));
+    v[iter + 1] = (1. / H(iter, iter + 1)) * w;
+    LinalgTimer.Stop();
+  }
+
+  void qrUpdate(int iter) {
+
+    QrTimer.Start();
+    for (int i = 0; i < iter ; ++i) {
+      auto tmp       = -s[i] * H(iter, i) + c[i] * H(iter, i + 1);
+      H(iter, i)     = std::conj(c[i]) * H(iter, i) + std::conj(s[i]) * H(iter, i + 1);
+      H(iter, i + 1) = tmp;
+    }
+
+    // Compute new Givens Rotation
+    ComplexD nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
+    c[iter]     = H(iter, iter) / nu;
+    s[iter]     = H(iter, iter + 1) / nu;
+
+    // Apply new Givens rotation
+    H(iter, iter)     = nu;
+    H(iter, iter + 1) = 0.;
+
+    gamma[iter + 1] = -s[iter] * gamma[iter];
+    gamma[iter]     = std::conj(c[iter]) * gamma[iter];
+    QrTimer.Stop();
+  }
+
+  void computeSolution(std::vector<Field> const &z, Field &psi, int iter) {
+
+    CompSolutionTimer.Start();
+    for (int i = iter; i >= 0; i--) {
+      y[i] = gamma[i];
+      for (int k = i + 1; k <= iter; k++)
+        y[i] = y[i] - H(k, i) * y[k];
+      y[i] = y[i] / H(i, i);
+    }
+
+    for (int i = 0; i <= iter; i++)
+      psi = psi + z[i] * y[i];
+    CompSolutionTimer.Stop();
+  }
+};
+}
+#endif

Grid/algorithms/iterative/GeneralisedMinimalResidual.h

@@ -0,0 +1,242 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/GeneralisedMinimalResidual.h
+
+Copyright (C) 2015
+
+Author: Daniel Richtmann <daniel.richtmann@ur.de>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_GENERALISED_MINIMAL_RESIDUAL_H
+#define GRID_GENERALISED_MINIMAL_RESIDUAL_H
+
+namespace Grid {
+
+template<class Field>
+class GeneralisedMinimalResidual : public OperatorFunction<Field> {
+ public:
+  bool ErrorOnNoConverge; // Throw an assert when GMRES fails to converge,
+                          // defaults to true
+
+  RealD   Tolerance;
+
+  Integer MaxIterations;
+  Integer RestartLength;
+  Integer MaxNumberOfRestarts;
+  Integer IterationCount; // Number of iterations the GMRES took to finish,
+                          // filled in upon completion
+
+  GridStopWatch MatrixTimer;
+  GridStopWatch LinalgTimer;
+  GridStopWatch QrTimer;
+  GridStopWatch CompSolutionTimer;
+
+  Eigen::MatrixXcd H;
+
+  std::vector<std::complex<double>> y;
+  std::vector<std::complex<double>> gamma;
+  std::vector<std::complex<double>> c;
+  std::vector<std::complex<double>> s;
+
+  GeneralisedMinimalResidual(RealD   tol,
+                             Integer maxit,
+                             Integer restart_length,
+                             bool    err_on_no_conv = true)
+      : Tolerance(tol)
+      , MaxIterations(maxit)
+      , RestartLength(restart_length)
+      , MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
+      , ErrorOnNoConverge(err_on_no_conv)
+      , H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
+      , y(RestartLength + 1, 0.)
+      , gamma(RestartLength + 1, 0.)
+      , c(RestartLength + 1, 0.)
+      , s(RestartLength + 1, 0.) {};
+
+  void operator()(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi) {
+
+    psi.checkerboard = src.checkerboard;
+    conformable(psi, src);
+
+    RealD guess = norm2(psi);
+    assert(std::isnan(guess) == 0);
+
+    RealD cp;
+    RealD ssq = norm2(src);
+    RealD rsq = Tolerance * Tolerance * ssq;
+
+    Field r(src._grid);
+
+    std::cout << std::setprecision(4) << std::scientific;
+    std::cout << GridLogIterative << "GeneralisedMinimalResidual: guess " << guess << std::endl;
+    std::cout << GridLogIterative << "GeneralisedMinimalResidual:   src " << ssq   << std::endl;
+
+    MatrixTimer.Reset();
+    LinalgTimer.Reset();
+    QrTimer.Reset();
+    CompSolutionTimer.Reset();
+
+    GridStopWatch SolverTimer;
+    SolverTimer.Start();
+
+    IterationCount = 0;
+
+    for (int k=0; k<MaxNumberOfRestarts; k++) {
+
+      cp = outerLoopBody(LinOp, src, psi, rsq);
+
+      // Stopping condition
+      if (cp <= rsq) {
+
+        SolverTimer.Stop();
+
+        LinOp.Op(psi,r);
+        axpy(r,-1.0,src,r);
+
+        RealD srcnorm       = sqrt(ssq);
+        RealD resnorm       = sqrt(norm2(r));
+        RealD true_residual = resnorm / srcnorm;
+
+        std::cout << GridLogMessage        << "GeneralisedMinimalResidual: Converged on iteration " << IterationCount
+                  << " computed residual " << sqrt(cp / ssq)
+                  << " true residual "     << true_residual
+                  << " target "            << Tolerance << std::endl;
+
+        std::cout << GridLogMessage << "GMRES Time elapsed: Total   " <<       SolverTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "GMRES Time elapsed: Matrix  " <<       MatrixTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "GMRES Time elapsed: Linalg  " <<       LinalgTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "GMRES Time elapsed: QR      " <<           QrTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "GMRES Time elapsed: CompSol " << CompSolutionTimer.Elapsed() << std::endl;
+        return;
+      }
+    }
+
+    std::cout << GridLogMessage << "GeneralisedMinimalResidual did NOT converge" << std::endl;
+
+    if (ErrorOnNoConverge)
+      assert(0);
+  }
+
+  RealD outerLoopBody(LinearOperatorBase<Field> &LinOp, const Field &src, Field &psi, RealD rsq) {
+
+    RealD cp = 0;
+
+    Field w(src._grid);
+    Field r(src._grid);
+
+    // this should probably be made a class member so that it is only allocated once, not in every restart
+    std::vector<Field> v(RestartLength + 1, src._grid); for (auto &elem : v) elem = zero;
+
+    MatrixTimer.Start();
+    LinOp.Op(psi, w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    r = src - w;
+
+    gamma[0] = sqrt(norm2(r));
+
+    v[0] = (1. / gamma[0]) * r;
+    LinalgTimer.Stop();
+
+    for (int i=0; i<RestartLength; i++) {
+
+      IterationCount++;
+
+      arnoldiStep(LinOp, v, w, i);
+
+      qrUpdate(i);
+
+      cp = std::norm(gamma[i+1]);
+
+      std::cout << GridLogIterative << "GeneralisedMinimalResidual: Iteration " << IterationCount
+                << " residual " << cp << " target " << rsq << std::endl;
+
+      if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
+
+        computeSolution(v, psi, i);
+
+        return cp;
+      }
+    }
+
+    assert(0); // Never reached
+    return cp;
+  }
+
+  void arnoldiStep(LinearOperatorBase<Field> &LinOp, std::vector<Field> &v, Field &w, int iter) {
+
+    MatrixTimer.Start();
+    LinOp.Op(v[iter], w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    for (int i = 0; i <= iter; ++i) {
+      H(iter, i) = innerProduct(v[i], w);
+      w = w - H(iter, i) * v[i];
+    }
+
+    H(iter, iter + 1) = sqrt(norm2(w));
+    v[iter + 1] = (1. / H(iter, iter + 1)) * w;
+    LinalgTimer.Stop();
+  }
+
+  void qrUpdate(int iter) {
+
+    QrTimer.Start();
+    for (int i = 0; i < iter ; ++i) {
+      auto tmp       = -s[i] * H(iter, i) + c[i] * H(iter, i + 1);
+      H(iter, i)     = std::conj(c[i]) * H(iter, i) + std::conj(s[i]) * H(iter, i + 1);
+      H(iter, i + 1) = tmp;
+    }
+
+    // Compute new Givens Rotation
+    ComplexD nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
+    c[iter]     = H(iter, iter) / nu;
+    s[iter]     = H(iter, iter + 1) / nu;
+
+    // Apply new Givens rotation
+    H(iter, iter)     = nu;
+    H(iter, iter + 1) = 0.;
+
+    gamma[iter + 1] = -s[iter] * gamma[iter];
+    gamma[iter]     = std::conj(c[iter]) * gamma[iter];
+    QrTimer.Stop();
+  }
+
+  void computeSolution(std::vector<Field> const &v, Field &psi, int iter) {
+
+    CompSolutionTimer.Start();
+    for (int i = iter; i >= 0; i--) {
+      y[i] = gamma[i];
+      for (int k = i + 1; k <= iter; k++)
+        y[i] = y[i] - H(k, i) * y[k];
+      y[i] = y[i] / H(i, i);
+    }
+
+    for (int i = 0; i <= iter; i++)
+      psi = psi + v[i] * y[i];
+    CompSolutionTimer.Stop();
+  }
+};
+}
+#endif

Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h

@@ -57,7 +57,8 @@ void basisRotate(std::vector<Field> &basis,Eigen::MatrixXd& Qt,int j0, int j1, i
       
   parallel_region
   {
-    std::vector < vobj > B(Nm); // Thread private
+
+    std::vector < vobj , commAllocator<vobj> > B(Nm); // Thread private
        
     parallel_for_internal(int ss=0;ss < grid->oSites();ss++){
       for(int j=j0; j<j1; ++j) B[j]=0.;

Grid/algorithms/iterative/LocalCoherenceLanczos.h

@@ -286,8 +286,10 @@ public:
 
   void Orthogonalise(void ) {
     CoarseScalar InnerProd(_CoarseGrid);
-    blockOrthogonalise(InnerProd,subspace);std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
-    blockOrthogonalise(InnerProd,subspace);std::cout << GridLogMessage <<" Gramm-Schmidt pass 2"<<std::endl;
+    std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
+    blockOrthogonalise(InnerProd,subspace);
+    std::cout << GridLogMessage <<" Gramm-Schmidt pass 2"<<std::endl;
+    blockOrthogonalise(InnerProd,subspace);
   };
 
   template<typename T>  static RealD normalise(T& v) 
@@ -333,7 +335,7 @@ public:
     // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
     //////////////////////////////////////////////////////////////////////////////////////////////////
     Chebyshev<FineField>                          ChebySmooth(cheby_smooth);
-    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (ChebySmooth,_FineOp,_subspace);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (ChebySmooth,_FineOp,subspace);
     ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax);
 
     for(int k=0;k<evec_coarse.size();k++){
@@ -374,14 +376,14 @@ public:
 		  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);
+    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,subspace);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace);
     //////////////////////////////////////////////////////////////////////////////////////////////////
     // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
     //////////////////////////////////////////////////////////////////////////////////////////////////
 
     Chebyshev<FineField>                                           ChebySmooth(cheby_smooth);
-    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,_subspace,relax);
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax);
 
     evals_coarse.resize(Nm);
     evec_coarse.resize(Nm,_CoarseGrid);

Grid/algorithms/iterative/MinimalResidual.h

@@ -0,0 +1,156 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/MinimalResidual.h
+
+Copyright (C) 2015
+
+Author: Daniel Richtmann <daniel.richtmann@ur.de>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_MINIMAL_RESIDUAL_H
+#define GRID_MINIMAL_RESIDUAL_H
+
+namespace Grid {
+
+template<class Field> class MinimalResidual : public OperatorFunction<Field> {
+ public:
+  bool ErrorOnNoConverge; // throw an assert when the MR fails to converge.
+                          // Defaults true.
+  RealD   Tolerance;
+  Integer MaxIterations;
+  RealD   overRelaxParam;
+  Integer IterationsToComplete; // Number of iterations the MR took to finish.
+                                // Filled in upon completion
+
+  MinimalResidual(RealD tol, Integer maxit, Real ovrelparam = 1.0, bool err_on_no_conv = true)
+    : Tolerance(tol), MaxIterations(maxit), overRelaxParam(ovrelparam), ErrorOnNoConverge(err_on_no_conv){};
+
+  void operator()(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi) {
+
+    psi.checkerboard = src.checkerboard;
+    conformable(psi, src);
+
+    Complex a, c;
+    Real    d;
+
+    Field Mr(src);
+    Field r(src);
+
+    // Initial residual computation & set up
+    RealD guess = norm2(psi);
+    assert(std::isnan(guess) == 0);
+
+    RealD ssq = norm2(src);
+    RealD rsq = Tolerance * Tolerance * ssq;
+
+    Linop.Op(psi, Mr);
+
+    r = src - Mr;
+
+    RealD cp = norm2(r);
+
+    std::cout << std::setprecision(4) << std::scientific;
+    std::cout << GridLogIterative << "MinimalResidual: guess " << guess << std::endl;
+    std::cout << GridLogIterative << "MinimalResidual:   src " << ssq << std::endl;
+    std::cout << GridLogIterative << "MinimalResidual:    mp " << d << std::endl;
+    std::cout << GridLogIterative << "MinimalResidual:  cp,r " << cp << std::endl;
+
+    if (cp <= rsq) {
+      return;
+    }
+
+    std::cout << GridLogIterative << "MinimalResidual: k=0 residual " << cp << " target " << rsq << std::endl;
+
+    GridStopWatch LinalgTimer;
+    GridStopWatch MatrixTimer;
+    GridStopWatch SolverTimer;
+
+    SolverTimer.Start();
+    int k;
+    for (k = 1; k <= MaxIterations; k++) {
+
+      MatrixTimer.Start();
+      Linop.Op(r, Mr);
+      MatrixTimer.Stop();
+
+      LinalgTimer.Start();
+
+      c = innerProduct(Mr, r);
+
+      d = norm2(Mr);
+
+      a = c / d;
+
+      a = a * overRelaxParam;
+
+      psi = psi + r * a;
+
+      r = r - Mr * a;
+
+      cp = norm2(r);
+
+      LinalgTimer.Stop();
+
+      std::cout << GridLogIterative << "MinimalResidual: Iteration " << k
+                << " residual " << cp << " target " << rsq << std::endl;
+      std::cout << GridLogDebug << "a = " << a << " c = " << c << " d = " << d << std::endl;
+
+      // Stopping condition
+      if (cp <= rsq) {
+        SolverTimer.Stop();
+
+        Linop.Op(psi, Mr);
+        r = src - Mr;
+
+        RealD srcnorm       = sqrt(ssq);
+        RealD resnorm       = sqrt(norm2(r));
+        RealD true_residual = resnorm / srcnorm;
+
+        std::cout << GridLogMessage        << "MinimalResidual Converged on iteration " << k
+                  << " computed residual " << sqrt(cp / ssq)
+                  << " true residual "     << true_residual
+                  << " target "            << Tolerance << std::endl;
+
+        std::cout << GridLogMessage << "MR Time elapsed: Total   " << SolverTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MR Time elapsed: Matrix  " << MatrixTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MR Time elapsed: Linalg  " << LinalgTimer.Elapsed() << std::endl;
+
+        if (ErrorOnNoConverge)
+          assert(true_residual / Tolerance < 10000.0);
+
+        IterationsToComplete = k;
+
+        return;
+      }
+    }
+
+    std::cout << GridLogMessage << "MinimalResidual did NOT converge"
+              << std::endl;
+
+    if (ErrorOnNoConverge)
+      assert(0);
+
+    IterationsToComplete = k;
+  }
+};
+} // namespace Grid
+#endif

Grid/algorithms/iterative/MixedPrecisionFlexibleGeneralisedMinimalResidual.h

@@ -0,0 +1,273 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/algorithms/iterative/MixedPrecisionFlexibleGeneralisedMinimalResidual.h
+
+Copyright (C) 2015
+
+Author: Daniel Richtmann <daniel.richtmann@ur.de>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_MIXED_PRECISION_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
+#define GRID_MIXED_PRECISION_FLEXIBLE_GENERALISED_MINIMAL_RESIDUAL_H
+
+namespace Grid {
+
+template<class FieldD, class FieldF, typename std::enable_if<getPrecision<FieldD>::value == 2, int>::type = 0, typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0>
+class MixedPrecisionFlexibleGeneralisedMinimalResidual : public OperatorFunction<FieldD> {
+ public:
+  bool ErrorOnNoConverge; // Throw an assert when MPFGMRES fails to converge,
+                          // defaults to true
+
+  RealD   Tolerance;
+
+  Integer MaxIterations;
+  Integer RestartLength;
+  Integer MaxNumberOfRestarts;
+  Integer IterationCount; // Number of iterations the MPFGMRES took to finish,
+                          // filled in upon completion
+
+  GridStopWatch MatrixTimer;
+  GridStopWatch PrecTimer;
+  GridStopWatch LinalgTimer;
+  GridStopWatch QrTimer;
+  GridStopWatch CompSolutionTimer;
+  GridStopWatch ChangePrecTimer;
+
+  Eigen::MatrixXcd H;
+
+  std::vector<std::complex<double>> y;
+  std::vector<std::complex<double>> gamma;
+  std::vector<std::complex<double>> c;
+  std::vector<std::complex<double>> s;
+
+  GridBase* SinglePrecGrid;
+
+  LinearFunction<FieldF> &Preconditioner;
+
+  MixedPrecisionFlexibleGeneralisedMinimalResidual(RealD   tol,
+                                                   Integer maxit,
+                                                   GridBase * sp_grid,
+                                                   LinearFunction<FieldF> &Prec,
+                                                   Integer restart_length,
+                                                   bool    err_on_no_conv = true)
+      : Tolerance(tol)
+      , MaxIterations(maxit)
+      , RestartLength(restart_length)
+      , MaxNumberOfRestarts(MaxIterations/RestartLength + ((MaxIterations%RestartLength == 0) ? 0 : 1))
+      , ErrorOnNoConverge(err_on_no_conv)
+      , H(Eigen::MatrixXcd::Zero(RestartLength, RestartLength + 1)) // sizes taken from DD-αAMG code base
+      , y(RestartLength + 1, 0.)
+      , gamma(RestartLength + 1, 0.)
+      , c(RestartLength + 1, 0.)
+      , s(RestartLength + 1, 0.)
+      , SinglePrecGrid(sp_grid)
+      , Preconditioner(Prec) {};
+
+  void operator()(LinearOperatorBase<FieldD> &LinOp, const FieldD &src, FieldD &psi) {
+
+    psi.checkerboard = src.checkerboard;
+    conformable(psi, src);
+
+    RealD guess = norm2(psi);
+    assert(std::isnan(guess) == 0);
+
+    RealD cp;
+    RealD ssq = norm2(src);
+    RealD rsq = Tolerance * Tolerance * ssq;
+
+    FieldD r(src._grid);
+
+    std::cout << std::setprecision(4) << std::scientific;
+    std::cout << GridLogIterative << "MPFGMRES: guess " << guess << std::endl;
+    std::cout << GridLogIterative << "MPFGMRES:   src " << ssq   << std::endl;
+
+    PrecTimer.Reset();
+    MatrixTimer.Reset();
+    LinalgTimer.Reset();
+    QrTimer.Reset();
+    CompSolutionTimer.Reset();
+    ChangePrecTimer.Reset();
+
+    GridStopWatch SolverTimer;
+    SolverTimer.Start();
+
+    IterationCount = 0;
+
+    for (int k=0; k<MaxNumberOfRestarts; k++) {
+
+      cp = outerLoopBody(LinOp, src, psi, rsq);
+
+      // Stopping condition
+      if (cp <= rsq) {
+
+        SolverTimer.Stop();
+
+        LinOp.Op(psi,r);
+        axpy(r,-1.0,src,r);
+
+        RealD srcnorm       = sqrt(ssq);
+        RealD resnorm       = sqrt(norm2(r));
+        RealD true_residual = resnorm / srcnorm;
+
+        std::cout << GridLogMessage        << "MPFGMRES: Converged on iteration " << IterationCount
+                  << " computed residual " << sqrt(cp / ssq)
+                  << " true residual "     << true_residual
+                  << " target "            << Tolerance << std::endl;
+
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: Total      " <<       SolverTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: Precon     " <<         PrecTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: Matrix     " <<       MatrixTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: Linalg     " <<       LinalgTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: QR         " <<           QrTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: CompSol    " << CompSolutionTimer.Elapsed() << std::endl;
+        std::cout << GridLogMessage << "MPFGMRES Time elapsed: PrecChange " <<   ChangePrecTimer.Elapsed() << std::endl;
+        return;
+      }
+    }
+
+    std::cout << GridLogMessage << "MPFGMRES did NOT converge" << std::endl;
+
+    if (ErrorOnNoConverge)
+      assert(0);
+  }
+
+  RealD outerLoopBody(LinearOperatorBase<FieldD> &LinOp, const FieldD &src, FieldD &psi, RealD rsq) {
+
+    RealD cp = 0;
+
+    FieldD w(src._grid);
+    FieldD r(src._grid);
+
+    // these should probably be made class members so that they are only allocated once, not in every restart
+    std::vector<FieldD> v(RestartLength + 1, src._grid); for (auto &elem : v) elem = zero;
+    std::vector<FieldD> z(RestartLength + 1, src._grid); for (auto &elem : z) elem = zero;
+
+    MatrixTimer.Start();
+    LinOp.Op(psi, w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    r = src - w;
+
+    gamma[0] = sqrt(norm2(r));
+
+    v[0] = (1. / gamma[0]) * r;
+    LinalgTimer.Stop();
+
+    for (int i=0; i<RestartLength; i++) {
+
+      IterationCount++;
+
+      arnoldiStep(LinOp, v, z, w, i);
+
+      qrUpdate(i);
+
+      cp = std::norm(gamma[i+1]);
+
+      std::cout << GridLogIterative << "MPFGMRES: Iteration " << IterationCount
+                << " residual " << cp << " target " << rsq << std::endl;
+
+      if ((i == RestartLength - 1) || (IterationCount == MaxIterations) || (cp <= rsq)) {
+
+        computeSolution(z, psi, i);
+
+        return cp;
+      }
+    }
+
+    assert(0); // Never reached
+    return cp;
+  }
+
+  void arnoldiStep(LinearOperatorBase<FieldD> &LinOp, std::vector<FieldD> &v, std::vector<FieldD> &z, FieldD &w, int iter) {
+
+    FieldF v_f(SinglePrecGrid);
+    FieldF z_f(SinglePrecGrid);
+
+    ChangePrecTimer.Start();
+    precisionChange(v_f, v[iter]);
+    precisionChange(z_f, z[iter]);
+    ChangePrecTimer.Stop();
+
+    PrecTimer.Start();
+    Preconditioner(v_f, z_f);
+    PrecTimer.Stop();
+
+    ChangePrecTimer.Start();
+    precisionChange(z[iter], z_f);
+    ChangePrecTimer.Stop();
+
+    MatrixTimer.Start();
+    LinOp.Op(z[iter], w);
+    MatrixTimer.Stop();
+
+    LinalgTimer.Start();
+    for (int i = 0; i <= iter; ++i) {
+      H(iter, i) = innerProduct(v[i], w);
+      w = w - H(iter, i) * v[i];
+    }
+
+    H(iter, iter + 1) = sqrt(norm2(w));
+    v[iter + 1] = (1. / H(iter, iter + 1)) * w;
+    LinalgTimer.Stop();
+  }
+
+  void qrUpdate(int iter) {
+
+    QrTimer.Start();
+    for (int i = 0; i < iter ; ++i) {
+      auto tmp       = -s[i] * H(iter, i) + c[i] * H(iter, i + 1);
+      H(iter, i)     = std::conj(c[i]) * H(iter, i) + std::conj(s[i]) * H(iter, i + 1);
+      H(iter, i + 1) = tmp;
+    }
+
+    // Compute new Givens Rotation
+    ComplexD nu = sqrt(std::norm(H(iter, iter)) + std::norm(H(iter, iter + 1)));
+    c[iter]     = H(iter, iter) / nu;
+    s[iter]     = H(iter, iter + 1) / nu;
+
+    // Apply new Givens rotation
+    H(iter, iter)     = nu;
+    H(iter, iter + 1) = 0.;
+
+    gamma[iter + 1] = -s[iter] * gamma[iter];
+    gamma[iter]     = std::conj(c[iter]) * gamma[iter];
+    QrTimer.Stop();
+  }
+
+  void computeSolution(std::vector<FieldD> const &z, FieldD &psi, int iter) {
+
+    CompSolutionTimer.Start();
+    for (int i = iter; i >= 0; i--) {
+      y[i] = gamma[i];
+      for (int k = i + 1; k <= iter; k++)
+        y[i] = y[i] - H(k, i) * y[k];
+      y[i] = y[i] / H(i, i);
+    }
+
+    for (int i = 0; i <= iter; i++)
+      psi = psi + z[i] * y[i];
+    CompSolutionTimer.Stop();
+  }
+};
+}
+#endif

Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h

@@ -139,7 +139,10 @@ namespace Grid {
       MatTimer.Start();
       Linop.HermOpAndNorm(psi,Az,zAz,zAAz); 
       MatTimer.Stop();
+
+      LinalgTimer.Start();
       r=src-Az;
+      LinalgTimer.Stop();
 
       /////////////////////
       // p = Prec(r)
@@ -152,8 +155,10 @@ namespace Grid {
       Linop.HermOp(z,tmp); 
       MatTimer.Stop();
 
+      LinalgTimer.Start();
       ttmp=tmp;
       tmp=tmp-r;
+      LinalgTimer.Stop();
 
       /*
       std::cout<<GridLogMessage<<r<<std::endl;
@@ -166,12 +171,14 @@ namespace Grid {
       Linop.HermOpAndNorm(z,Az,zAz,zAAz); 
       MatTimer.Stop();
 
+      LinalgTimer.Start();
       //p[0],q[0],qq[0] 
       p[0]= z;
       q[0]= Az;
       qq[0]= zAAz;
 
       cp =norm2(r);
+      LinalgTimer.Stop();
 
       for(int k=0;k<nstep;k++){
 
@@ -181,12 +188,14 @@ namespace Grid {
 	int peri_k = k %mmax;
 	int peri_kp= kp%mmax;
 
+        LinalgTimer.Start();
 	rq= real(innerProduct(r,q[peri_k])); // what if rAr not real?
 	a = rq/qq[peri_k];
 
 	axpy(psi,a,p[peri_k],psi);         
 
 	cp = axpy_norm(r,-a,q[peri_k],r);
+        LinalgTimer.Stop();
 
 	if((k==nstep-1)||(cp<rsq)){
 	  return cp;
@@ -202,6 +211,8 @@ namespace Grid {
 	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; 
 
@@ -219,9 +230,9 @@ namespace Grid {
 
 	}
 	qq[peri_kp]=norm2(q[peri_kp]); // could use axpy_norm
-
-
+        LinalgTimer.Stop();
       }
+
       assert(0); // never reached
       return cp;
     }

Grid/algorithms/iterative/SchurRedBlack.h

@@ -0,0 +1,473 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/SchurRedBlack.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef GRID_SCHUR_RED_BLACK_H
+#define GRID_SCHUR_RED_BLACK_H
+
+
+  /*
+   * Red black Schur decomposition
+   *
+   *  M = (Mee Meo) =  (1             0 )   (Mee   0               )  (1 Mee^{-1} Meo)
+   *      (Moe Moo)    (Moe Mee^-1    1 )   (0   Moo-Moe Mee^-1 Meo)  (0   1         )
+   *                =         L                     D                     U
+   *
+   * L^-1 = (1              0 )
+   *        (-MoeMee^{-1}   1 )   
+   * L^{dag} = ( 1       Mee^{-dag} Moe^{dag} )
+   *           ( 0       1                    )
+   * L^{-d}  = ( 1      -Mee^{-dag} Moe^{dag} )
+   *           ( 0       1                    )
+   *
+   * U^-1 = (1   -Mee^{-1} Meo)
+   *        (0    1           )
+   * U^{dag} = ( 1                 0)
+   *           (Meo^dag Mee^{-dag} 1)
+   * U^{-dag} = (  1                 0)
+   *            (-Meo^dag Mee^{-dag} 1)
+   ***********************
+   *     M psi = eta
+   ***********************
+   *Odd
+   * i)                 D_oo psi_o =  L^{-1}  eta_o
+   *                        eta_o' = (D_oo)^dag (eta_o - Moe Mee^{-1} eta_e)
+   *
+   * Wilson:
+   *      (D_oo)^{\dag} D_oo psi_o = (D_oo)^dag L^{-1}  eta_o
+   * Stag:
+   *      D_oo psi_o = L^{-1}  eta =    (eta_o - Moe Mee^{-1} eta_e)
+   *
+   * L^-1 eta_o= (1              0 ) (e
+   *             (-MoeMee^{-1}   1 )   
+   *
+   *Even
+   * ii)  Mee psi_e + Meo psi_o = src_e
+   *
+   *   => sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
+   *
+   * 
+   * TODO: Other options:
+   * 
+   * a) change checkerboards for Schur e<->o
+   *
+   * Left precon by Moo^-1
+   * b) Doo^{dag} M_oo^-dag Moo^-1 Doo psi_0 =  (D_oo)^dag M_oo^-dag Moo^-1 L^{-1}  eta_o
+   *                              eta_o'     = (D_oo)^dag  M_oo^-dag Moo^-1 (eta_o - Moe Mee^{-1} eta_e)
+   *
+   * Right precon by Moo^-1
+   * c) M_oo^-dag Doo^{dag} Doo Moo^-1 phi_0 = M_oo^-dag (D_oo)^dag L^{-1}  eta_o
+   *                              eta_o'     = M_oo^-dag (D_oo)^dag (eta_o - Moe Mee^{-1} eta_e)
+   *                              psi_o = M_oo^-1 phi_o
+   * TODO: Deflation 
+   */
+namespace Grid {
+
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Use base class to share code
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Take a matrix and form a Red Black solver calling a Herm solver
+  // Use of RB info prevents making SchurRedBlackSolve conform to standard interface
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  template<class Field> class SchurRedBlackBase {
+  protected:
+    typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
+    OperatorFunction<Field> & _HermitianRBSolver;
+    int CBfactorise;
+    bool subGuess;
+  public:
+
+    SchurRedBlackBase(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false)  :
+    _HermitianRBSolver(HermitianRBSolver) 
+    { 
+      CBfactorise = 0;
+      subtractGuess(initSubGuess);
+    };
+    void subtractGuess(const bool initSubGuess)
+    {
+      subGuess = initSubGuess;
+    }
+    bool isSubtractGuess(void)
+    {
+      return subGuess;
+    }
+
+    /////////////////////////////////////////////////////////////
+    // Shared code
+    /////////////////////////////////////////////////////////////
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser<Field> guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    void operator()(Matrix &_Matrix, const std::vector<Field> &in, std::vector<Field> &out) 
+    {
+      ZeroGuesser<Field> guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+
+    template<class Guesser>
+    void operator()(Matrix &_Matrix, const std::vector<Field> &in, std::vector<Field> &out,Guesser &guess) 
+    {
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+      int nblock = in.size();
+
+      std::vector<Field> src_o(nblock,grid);
+      std::vector<Field> sol_o(nblock,grid);
+      
+      std::vector<Field> guess_save;
+
+      Field resid(fgrid);
+      Field tmp(grid);
+
+      ////////////////////////////////////////////////
+      // Prepare RedBlack source
+      ////////////////////////////////////////////////
+      for(int b=0;b<nblock;b++){
+	RedBlackSource(_Matrix,in[b],tmp,src_o[b]);
+      }
+      ////////////////////////////////////////////////
+      // Make the guesses
+      ////////////////////////////////////////////////
+      if ( subGuess ) guess_save.resize(nblock,grid);
+
+      for(int b=0;b<nblock;b++){
+	guess(src_o[b],sol_o[b]); 
+
+	if ( subGuess ) { 
+	  guess_save[b] = sol_o[b];
+	}
+      }
+      //////////////////////////////////////////////////////////////
+      // Call the block solver
+      //////////////////////////////////////////////////////////////
+      std::cout<<GridLogMessage << "SchurRedBlackBase calling the solver for "<<nblock<<" RHS" <<std::endl;
+      RedBlackSolve(_Matrix,src_o,sol_o);
+
+      ////////////////////////////////////////////////
+      // A2A boolean behavioural control & reconstruct other checkerboard
+      ////////////////////////////////////////////////
+      for(int b=0;b<nblock;b++) {
+
+	if (subGuess)   sol_o[b] = sol_o[b] - guess_save[b];
+
+	///////// Needs even source //////////////
+	pickCheckerboard(Even,tmp,in[b]);
+	RedBlackSolution(_Matrix,sol_o[b],tmp,out[b]);
+
+	/////////////////////////////////////////////////
+	// Check unprec residual if possible
+	/////////////////////////////////////////////////
+	if ( ! subGuess ) {
+	  _Matrix.M(out[b],resid); 
+	  resid = resid-in[b];
+	  RealD ns = norm2(in[b]);
+	  RealD nr = norm2(resid);
+	
+	  std::cout<<GridLogMessage<< "SchurRedBlackBase solver true unprec resid["<<b<<"] "<<std::sqrt(nr/ns) << std::endl;
+	} else {
+	  std::cout<<GridLogMessage<< "SchurRedBlackBase Guess subtracted after solve["<<b<<"] " << std::endl;
+	}
+
+      }
+    }
+    template<class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out,Guesser &guess){
+
+      // FIXME CGdiagonalMee not implemented virtual function
+      // FIXME use CBfactorise to control schur decomp
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      Field resid(fgrid);
+      Field src_o(grid);
+      Field src_e(grid);
+      Field sol_o(grid);
+
+      ////////////////////////////////////////////////
+      // RedBlack source
+      ////////////////////////////////////////////////
+      RedBlackSource(_Matrix,in,src_e,src_o);
+
+      ////////////////////////////////
+      // Construct the guess
+      ////////////////////////////////
+      Field   tmp(grid);
+      guess(src_o,sol_o);
+
+      Field  guess_save(grid);
+      guess_save = sol_o;
+
+      //////////////////////////////////////////////////////////////
+      // Call the red-black solver
+      //////////////////////////////////////////////////////////////
+      RedBlackSolve(_Matrix,src_o,sol_o);
+
+      ////////////////////////////////////////////////
+      // Fionn A2A boolean behavioural control
+      ////////////////////////////////////////////////
+      if (subGuess)      sol_o= sol_o-guess_save;
+
+      ///////////////////////////////////////////////////
+      // RedBlack solution needs the even source
+      ///////////////////////////////////////////////////
+      RedBlackSolution(_Matrix,sol_o,src_e,out);
+
+      // Verify the unprec residual
+      if ( ! subGuess ) {
+        _Matrix.M(out,resid); 
+        resid = resid-in;
+        RealD ns = norm2(in);
+        RealD nr = norm2(resid);
+
+        std::cout<<GridLogMessage << "SchurRedBlackBase solver true unprec resid "<< std::sqrt(nr/ns) << std::endl;
+      } else {
+        std::cout << GridLogMessage << "SchurRedBlackBase Guess subtracted after solve." << std::endl;
+      }
+    }     
+    
+    /////////////////////////////////////////////////////////////
+    // Override in derived. Not virtual as template methods
+    /////////////////////////////////////////////////////////////
+    virtual void RedBlackSource  (Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)                =0;
+    virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)          =0;
+    virtual void RedBlackSolve   (Matrix & _Matrix,const Field &src_o, Field &sol_o)                           =0;
+    virtual void RedBlackSolve   (Matrix & _Matrix,const std::vector<Field> &src_o,  std::vector<Field> &sol_o)=0;
+
+  };
+
+  template<class Field> class SchurRedBlackStaggeredSolve : public SchurRedBlackBase<Field> {
+  public:
+    typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
+
+    SchurRedBlackStaggeredSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false) 
+      :    SchurRedBlackBase<Field> (HermitianRBSolver,initSubGuess) 
+    {
+    }
+
+    //////////////////////////////////////////////////////
+    // 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 = (source_o - Moe MeeInv source_e)
+      /////////////////////////////////////////////////////
+      _Matrix.MooeeInv(src_e,tmp);     assert(  tmp.checkerboard ==Even);
+      _Matrix.Meooe   (tmp,Mtmp);      assert( Mtmp.checkerboard ==Odd);     
+      tmp=src_o-Mtmp;                  assert(  tmp.checkerboard ==Odd);     
+
+      _Matrix.Mooee(tmp,src_o); // Extra factor of "m" in source from dumb choice of matrix norm.
+    }
+    virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e_c,Field &sol)
+    {
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      Field   tmp(grid);
+      Field   sol_e(grid);
+      Field   src_e(grid);
+
+      src_e = src_e_c; // Const correctness
+
+      ///////////////////////////////////////////////////
+      // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
+      ///////////////////////////////////////////////////
+      _Matrix.Meooe(sol_o,tmp);        assert(  tmp.checkerboard   ==Even);
+      src_e = src_e-tmp;               assert(  src_e.checkerboard ==Even);
+      _Matrix.MooeeInv(src_e,sol_e);   assert(  sol_e.checkerboard ==Even);
+     
+      setCheckerboard(sol,sol_e); assert(  sol_e.checkerboard ==Even);
+      setCheckerboard(sol,sol_o); assert(  sol_o.checkerboard ==Odd );
+    }
+    virtual void RedBlackSolve   (Matrix & _Matrix,const Field &src_o, Field &sol_o)
+    {
+      SchurStaggeredOperator<Matrix,Field> _HermOpEO(_Matrix);
+      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
+    };
+    virtual void RedBlackSolve   (Matrix & _Matrix,const std::vector<Field> &src_o,  std::vector<Field> &sol_o)
+    {
+      SchurStaggeredOperator<Matrix,Field> _HermOpEO(_Matrix);
+      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o); 
+    }
+  };
+  template<class Field> using SchurRedBlackStagSolve = SchurRedBlackStaggeredSolve<Field>;
+
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Site diagonal has Mooee on it.
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  template<class Field> class SchurRedBlackDiagMooeeSolve : public SchurRedBlackBase<Field> {
+  public:
+    typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
+
+    SchurRedBlackDiagMooeeSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false)  
+      : SchurRedBlackBase<Field> (HermitianRBSolver,initSubGuess) {};
+
+
+    //////////////////////////////////////////////////////
+    // 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);     
+      tmp=src_o-Mtmp;                  assert(  tmp.checkerboard ==Odd);     
+
+      // get the right MpcDag
+      SchurDiagMooeeOperator<Matrix,Field> _HermOpEO(_Matrix);
+      _HermOpEO.MpcDag(tmp,src_o);     assert(src_o.checkerboard ==Odd);       
+
+    }
+    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)
+    {
+      SchurDiagMooeeOperator<Matrix,Field> _HermOpEO(_Matrix);
+      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
+    };
+    virtual void RedBlackSolve   (Matrix & _Matrix,const std::vector<Field> &src_o,  std::vector<Field> &sol_o)
+    {
+      SchurDiagMooeeOperator<Matrix,Field> _HermOpEO(_Matrix);
+      this->_HermitianRBSolver(_HermOpEO,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
+  //=> psi = MeeInv phi
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  template<class Field> class SchurRedBlackDiagTwoSolve : public SchurRedBlackBase<Field> {
+  public:
+    typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
+
+    /////////////////////////////////////////////////////
+    // Wrap the usual normal equations Schur trick
+    /////////////////////////////////////////////////////
+  SchurRedBlackDiagTwoSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false)  
+    : SchurRedBlackBase<Field>(HermitianRBSolver,initSubGuess) {};
+
+    virtual void RedBlackSource(Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)
+    {
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      SchurDiagTwoOperator<Matrix,Field> _HermOpEO(_Matrix);
+      
+      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);     
+      tmp=src_o-Mtmp;                  assert(  tmp.checkerboard ==Odd);     
+
+      // get the right MpcDag
+      _HermOpEO.MpcDag(tmp,src_o);     assert(src_o.checkerboard ==Odd);       
+    }
+
+    virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)
+    {
+      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)
+    {
+      SchurDiagTwoOperator<Matrix,Field> _HermOpEO(_Matrix);
+      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);
+    };
+    virtual void RedBlackSolve   (Matrix & _Matrix,const std::vector<Field> &src_o,  std::vector<Field> &sol_o)
+    {
+      SchurDiagTwoOperator<Matrix,Field> _HermOpEO(_Matrix);
+      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o); 
+    }
+  };
+}
+#endif

Grid/communicator/Communicator_mpi3.cc

@@ -50,8 +50,6 @@ void CartesianCommunicator::Init(int *argc, char ***argv)
       assert(0);
   }
 
-  Grid_quiesce_nodes();
-
   // Never clean up as done once.
   MPI_Comm_dup (MPI_COMM_WORLD,&communicator_world);
 
@@ -124,10 +122,8 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,
   // split the communicator
   //////////////////////////////////////////////////////////////////////////////////////////////////////
   //  int Nparent = parent._processors ; 
-  //  std::cout << " splitting from communicator "<<parent.communicator <<std::endl;
   int Nparent;
   MPI_Comm_size(parent.communicator,&Nparent);
-  //  std::cout << " Parent size  "<<Nparent <<std::endl;
 
   int childsize=1;
   for(int d=0;d<processors.size();d++) {
@@ -136,8 +132,6 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,
   int Nchild = Nparent/childsize;
   assert (childsize * Nchild == Nparent);
 
-  //  std::cout << " child size  "<<childsize <<std::endl;
-
   std::vector<int> ccoor(_ndimension); // coor within subcommunicator
   std::vector<int> scoor(_ndimension); // coor of split within parent
   std::vector<int> ssize(_ndimension); // coor of split within parent

Grid/communicator/SharedMemoryMPI.cc

@@ -114,19 +114,150 @@ void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
   assert(WorldNode!=-1);
   _ShmSetup=1;
 }
-
-void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,Grid_MPI_Comm & optimal_comm)
+// Gray encode support 
+int BinaryToGray (int  binary) {
+  int gray = (binary>>1)^binary;
+  return gray;
+}
+int Log2Size(int TwoToPower,int MAXLOG2)
 {
-  ////////////////////////////////////////////////////////////////
-  // Assert power of two shm_size.
-  ////////////////////////////////////////////////////////////////
   int log2size = -1;
-  for(int i=0;i<=MAXLOG2RANKSPERNODE;i++){  
-    if ( (0x1<<i) == WorldShmSize ) {
+  for(int i=0;i<=MAXLOG2;i++){
+    if ( (0x1<<i) == TwoToPower ) {
       log2size = i;
       break;
     }
   }
+  return log2size;
+}
+void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,Grid_MPI_Comm & optimal_comm)
+{
+#ifdef HYPERCUBE
+  ////////////////////////////////////////////////////////////////
+  // Assert power of two shm_size.
+  ////////////////////////////////////////////////////////////////
+  int log2size = Log2Size(WorldShmSize,MAXLOG2RANKSPERNODE);
+  assert(log2size != -1);
+
+  ////////////////////////////////////////////////////////////////
+  // Identify the hypercube coordinate of this node using hostname
+  ////////////////////////////////////////////////////////////////
+  // n runs 0...7 9...16 18...25 27...34     (8*4)  5 bits
+  // i runs 0..7                                    3 bits
+  // r runs 0..3                                    2 bits
+  // 2^10 = 1024 nodes
+  const int maxhdim = 10; 
+  std::vector<int> HyperCubeCoords(maxhdim,0);
+  std::vector<int> RootHyperCubeCoords(maxhdim,0);
+  int R;
+  int I;
+  int N;
+  const int namelen = _POSIX_HOST_NAME_MAX;
+  char name[namelen];
+
+  // Parse ICE-XA hostname to get hypercube location
+  gethostname(name,namelen);
+  int nscan = sscanf(name,"r%di%dn%d",&R,&I,&N) ;
+  assert(nscan==3);
+
+  int nlo = N%9;
+  int nhi = N/9;
+  uint32_t hypercoor = (R<<8)|(I<<5)|(nhi<<3)|nlo ;
+  uint32_t rootcoor  = hypercoor;
+
+  //////////////////////////////////////////////////////////////////
+  // Print debug info
+  //////////////////////////////////////////////////////////////////
+  for(int d=0;d<maxhdim;d++){
+    HyperCubeCoords[d] = (hypercoor>>d)&0x1;
+  }
+
+  std::string hname(name);
+  std::cout << "hostname "<<hname<<std::endl;
+  std::cout << "R " << R << " I " << I << " N "<< N
+            << " hypercoor 0x"<<std::hex<<hypercoor<<std::dec<<std::endl;
+
+  //////////////////////////////////////////////////////////////////
+  // broadcast node 0's base coordinate for this partition.
+  //////////////////////////////////////////////////////////////////
+  MPI_Bcast(&rootcoor, sizeof(rootcoor), MPI_BYTE, 0, WorldComm); 
+  hypercoor=hypercoor-rootcoor;
+  assert(hypercoor<WorldSize);
+  assert(hypercoor>=0);
+
+  //////////////////////////////////////
+  // Printing
+  //////////////////////////////////////
+  for(int d=0;d<maxhdim;d++){
+    HyperCubeCoords[d] = (hypercoor>>d)&0x1;
+  }
+
+  ////////////////////////////////////////////////////////////////
+  // Identify subblock of ranks on node spreading across dims
+  // in a maximally symmetrical way
+  ////////////////////////////////////////////////////////////////
+  int ndimension              = processors.size();
+  std::vector<int> processor_coor(ndimension);
+  std::vector<int> WorldDims = processors;   std::vector<int> ShmDims  (ndimension,1);  std::vector<int> NodeDims (ndimension);
+  std::vector<int> ShmCoor  (ndimension);    std::vector<int> NodeCoor (ndimension);    std::vector<int> WorldCoor(ndimension);
+  std::vector<int> HyperCoor(ndimension);
+  int dim = 0;
+  for(int l2=0;l2<log2size;l2++){
+    while ( (WorldDims[dim] / ShmDims[dim]) <= 1 ) dim=(dim+1)%ndimension;
+    ShmDims[dim]*=2;
+    dim=(dim+1)%ndimension;
+  }
+
+  ////////////////////////////////////////////////////////////////
+  // Establish torus of processes and nodes with sub-blockings
+  ////////////////////////////////////////////////////////////////
+  for(int d=0;d<ndimension;d++){
+    NodeDims[d] = WorldDims[d]/ShmDims[d];
+  }
+  ////////////////////////////////////////////////////////////////
+  // Map Hcube according to physical lattice 
+  // must partition. Loop over dims and find out who would join.
+  ////////////////////////////////////////////////////////////////
+  int hcoor = hypercoor;
+  for(int d=0;d<ndimension;d++){
+     int bits = Log2Size(NodeDims[d],MAXLOG2RANKSPERNODE);
+     int msk  = (0x1<<bits)-1;
+     HyperCoor[d]=hcoor & msk;  
+     HyperCoor[d]=BinaryToGray(HyperCoor[d]); // Space filling curve magic
+     hcoor = hcoor >> bits;
+  } 
+  ////////////////////////////////////////////////////////////////
+  // Check processor counts match
+  ////////////////////////////////////////////////////////////////
+  int Nprocessors=1;
+  for(int i=0;i<ndimension;i++){
+    Nprocessors*=processors[i];
+  }
+  assert(WorldSize==Nprocessors);
+
+  ////////////////////////////////////////////////////////////////
+  // Establish mapping between lexico physics coord and WorldRank
+  ////////////////////////////////////////////////////////////////
+  int rank;
+
+  Lexicographic::CoorFromIndexReversed(NodeCoor,WorldNode   ,NodeDims);
+
+  for(int d=0;d<ndimension;d++) NodeCoor[d]=HyperCoor[d];
+
+  Lexicographic::CoorFromIndexReversed(ShmCoor ,WorldShmRank,ShmDims);
+  for(int d=0;d<ndimension;d++) WorldCoor[d] = NodeCoor[d]*ShmDims[d]+ShmCoor[d];
+  Lexicographic::IndexFromCoorReversed(WorldCoor,rank,WorldDims);
+
+  /////////////////////////////////////////////////////////////////
+  // Build the new communicator
+  /////////////////////////////////////////////////////////////////
+  int ierr= MPI_Comm_split(WorldComm,0,rank,&optimal_comm);
+  assert(ierr==0);
+#else 
+  ////////////////////////////////////////////////////////////////
+  // Assert power of two shm_size.
+  ////////////////////////////////////////////////////////////////
+  int log2size = Log2Size(WorldShmSize,MAXLOG2RANKSPERNODE);
   assert(log2size != -1);
 
   ////////////////////////////////////////////////////////////////
@@ -175,7 +306,69 @@ void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,
   /////////////////////////////////////////////////////////////////
   int ierr= MPI_Comm_split(WorldComm,0,rank,&optimal_comm);
   assert(ierr==0);
+#endif
 }
+////////////////////////////////////////////////////////////////////////////////////////////
+// SHMGET
+////////////////////////////////////////////////////////////////////////////////////////////
+#ifdef GRID_MPI3_SHMGET
+void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
+{
+  std::cout << "SharedMemoryAllocate "<< bytes<< " shmget implementation "<<std::endl;
+  assert(_ShmSetup==1);
+  assert(_ShmAlloc==0);
+
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // allocate the shared windows for our group
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  MPI_Barrier(WorldShmComm);
+  WorldShmCommBufs.resize(WorldShmSize);
+  std::vector<int> shmids(WorldShmSize);
+
+  if ( WorldShmRank == 0 ) {
+    for(int r=0;r<WorldShmSize;r++){
+      size_t size = bytes;
+      key_t key   = IPC_PRIVATE;
+      int flags = IPC_CREAT | SHM_R | SHM_W;
+#ifdef SHM_HUGETLB
+      if (Hugepages) flags|=SHM_HUGETLB;
+#endif
+      if ((shmids[r]= shmget(key,size, flags)) ==-1) {
+        int errsv = errno;
+        printf("Errno %d\n",errsv);
+        printf("key   %d\n",key);
+        printf("size  %lld\n",size);
+        printf("flags %d\n",flags);
+        perror("shmget");
+        exit(1);
+      }
+    }
+  }
+  MPI_Barrier(WorldShmComm);
+  MPI_Bcast(&shmids[0],WorldShmSize*sizeof(int),MPI_BYTE,0,WorldShmComm);
+  MPI_Barrier(WorldShmComm);
+
+  for(int r=0;r<WorldShmSize;r++){
+    WorldShmCommBufs[r] = (uint64_t *)shmat(shmids[r], NULL,0);
+    if (WorldShmCommBufs[r] == (uint64_t *)-1) {
+      perror("Shared memory attach failure");
+      shmctl(shmids[r], IPC_RMID, NULL);
+      exit(2);
+    }
+  }
+  MPI_Barrier(WorldShmComm);
+  ///////////////////////////////////
+  // Mark for clean up
+  ///////////////////////////////////
+  for(int r=0;r<WorldShmSize;r++){
+    shmctl(shmids[r], IPC_RMID,(struct shmid_ds *)NULL);
+  }
+  MPI_Barrier(WorldShmComm);
+
+  _ShmAlloc=1;
+  _ShmAllocBytes  = bytes;
+}
+#endif
  
 ////////////////////////////////////////////////////////////////////////////////////////////
 // Hugetlbfs mapping intended
@@ -183,7 +376,7 @@ void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,
 #ifdef GRID_MPI3_SHMMMAP
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<<std::endl;
+  std::cout << "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<< GRID_SHM_PATH <<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
   //////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -193,7 +386,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
   WorldShmCommBufs.resize(WorldShmSize);
   
   ////////////////////////////////////////////////////////////////////////////////////////////
-  // Hugetlbf and others map filesystems as mappable huge pages
+  // Hugetlbfs and others map filesystems as mappable huge pages
   ////////////////////////////////////////////////////////////////////////////////////////////
   char shm_name [NAME_MAX];
   for(int r=0;r<WorldShmSize;r++){
@@ -220,7 +413,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     assert(((uint64_t)ptr&0x3F)==0);
     close(fd);
     WorldShmCommBufs[r] =ptr;
-    std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
+    //    std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
   }
   _ShmAlloc=1;
   _ShmAllocBytes  = bytes;
@@ -262,7 +455,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     assert(((uint64_t)ptr&0x3F)==0);
     close(fd);
     WorldShmCommBufs[r] =ptr;
-    std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
+    //    std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
   }
   _ShmAlloc=1;
   _ShmAllocBytes  = bytes;
@@ -306,7 +499,7 @@ 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;
+      //      std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< size<< "bytes)"<<std::endl;
       if ( ptr == (void * )MAP_FAILED ) {       
 	perror("failed mmap");     
 	assert(0);    
@@ -344,6 +537,9 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 }
 #endif
 
+
+
+
   ////////////////////////////////////////////////////////
   // Global shared functionality finished
   // Now move to per communicator functionality

Grid/lattice/Lattice_arith.h

@@ -244,19 +244,11 @@ namespace Grid {
 
   template<class sobj,class vobj> strong_inline
   RealD axpy_norm(Lattice<vobj> &ret,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &y){
-    ret.checkerboard = x.checkerboard;
-    conformable(ret,x);
-    conformable(x,y);
-    axpy(ret,a,x,y);
-    return norm2(ret);
+    return axpy_norm_fast(ret,a,x,y);
   }
   template<class sobj,class vobj> strong_inline
   RealD axpby_norm(Lattice<vobj> &ret,sobj a,sobj b,const Lattice<vobj> &x,const Lattice<vobj> &y){
-    ret.checkerboard = x.checkerboard;
-    conformable(ret,x);
-    conformable(x,y);
-    axpby(ret,a,b,x,y);
-    return norm2(ret); // FIXME implement parallel norm in ss loop
+    return axpby_norm_fast(ret,a,b,x,y);
   }
 
 }

Grid/lattice/Lattice_reduction.h

@@ -33,7 +33,7 @@ namespace Grid {
   // Deterministic Reduction operations
   ////////////////////////////////////////////////////////////////////////////////////////////////////
 template<class vobj> inline RealD norm2(const Lattice<vobj> &arg){
-  ComplexD nrm = innerProduct(arg,arg);
+  auto nrm = innerProduct(arg,arg);
   return std::real(nrm); 
 }
 
@@ -43,32 +43,85 @@ inline ComplexD innerProduct(const Lattice<vobj> &left,const Lattice<vobj> &righ
 {
   typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_typeD vector_type;
-  scalar_type  nrm;
-  
   GridBase *grid = left._grid;
+  const int pad = 8;
 
-  std::vector<vector_type,alignedAllocator<vector_type> > sumarray(grid->SumArraySize());
+  ComplexD  inner;
+  Vector<ComplexD> sumarray(grid->SumArraySize()*pad);
 
   parallel_for(int thr=0;thr<grid->SumArraySize();thr++){
     int nwork, mywork, myoff;
     GridThread::GetWork(left._grid->oSites(),thr,mywork,myoff);
     
-    decltype(innerProductD(left._odata[0],right._odata[0])) vnrm=zero; // private to thread; sub summation
+    decltype(innerProductD(left._odata[0],right._odata[0])) vinner=zero; // private to thread; sub summation
     for(int ss=myoff;ss<mywork+myoff; ss++){
-      vnrm = vnrm + innerProductD(left._odata[ss],right._odata[ss]);
+      vinner = vinner + innerProductD(left._odata[ss],right._odata[ss]);
     }
-    sumarray[thr]=TensorRemove(vnrm) ;
+    // All threads sum across SIMD; reduce serial work at end
+    // one write per cacheline with streaming store
+    ComplexD tmp = Reduce(TensorRemove(vinner)) ;
+    vstream(sumarray[thr*pad],tmp);
   }
   
-  vector_type vvnrm; vvnrm=zero;  // sum across threads
+  inner=0.0;
   for(int i=0;i<grid->SumArraySize();i++){
-    vvnrm = vvnrm+sumarray[i];
+    inner = inner+sumarray[i*pad];
   } 
-  nrm = Reduce(vvnrm);// sum across simd
-  right._grid->GlobalSum(nrm);
+  right._grid->GlobalSum(inner);
+  return inner;
+}
+
+/////////////////////////
+// Fast axpby_norm
+// z = a x + b y
+// return norm z
+/////////////////////////
+template<class sobj,class vobj> strong_inline RealD 
+axpy_norm_fast(Lattice<vobj> &z,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &y) 
+{
+  sobj one(1.0);
+  return axpby_norm_fast(z,a,one,x,y);
+}
+
+template<class sobj,class vobj> strong_inline RealD 
+axpby_norm_fast(Lattice<vobj> &z,sobj a,sobj b,const Lattice<vobj> &x,const Lattice<vobj> &y) 
+{
+  const int pad = 8;
+  z.checkerboard = x.checkerboard;
+  conformable(z,x);
+  conformable(x,y);
+
+  typedef typename vobj::scalar_type scalar_type;
+  typedef typename vobj::vector_typeD vector_type;
+  RealD  nrm;
+  
+  GridBase *grid = x._grid;
+  
+  Vector<RealD> sumarray(grid->SumArraySize()*pad);
+  
+  parallel_for(int thr=0;thr<grid->SumArraySize();thr++){
+    int nwork, mywork, myoff;
+    GridThread::GetWork(x._grid->oSites(),thr,mywork,myoff);
+    
+    // private to thread; sub summation
+    decltype(innerProductD(z._odata[0],z._odata[0])) vnrm=zero; 
+    for(int ss=myoff;ss<mywork+myoff; ss++){
+      vobj tmp = a*x._odata[ss]+b*y._odata[ss];
+      vnrm = vnrm + innerProductD(tmp,tmp);
+      vstream(z._odata[ss],tmp);
+    }
+    vstream(sumarray[thr*pad],real(Reduce(TensorRemove(vnrm)))) ;
+  }
+  
+  nrm = 0.0; // sum across threads; linear in thread count but fast
+  for(int i=0;i<grid->SumArraySize();i++){
+    nrm = nrm+sumarray[i*pad];
+  } 
+  z._grid->GlobalSum(nrm);
   return nrm; 
 }
 
+ 
 template<class Op,class T1>
 inline auto sum(const LatticeUnaryExpression<Op,T1> & expr)
   ->typename decltype(expr.first.func(eval(0,std::get<0>(expr.second))))::scalar_object
@@ -221,6 +274,115 @@ template<class vobj> inline void sliceSum(const Lattice<vobj> &Data,std::vector<
   }
 }
 
+template<class vobj>
+static void mySliceInnerProductVector( std::vector<ComplexD> & result, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int orthogdim)
+{
+  // std::cout << GridLogMessage << "Start mySliceInnerProductVector" << std::endl;
+
+  typedef typename vobj::scalar_type scalar_type;
+  std::vector<scalar_type> lsSum;
+  localSliceInnerProductVector(result, lhs, rhs, lsSum, orthogdim);
+  globalSliceInnerProductVector(result, lhs, lsSum, orthogdim);
+  // std::cout << GridLogMessage << "End mySliceInnerProductVector" << std::endl;
+}
+
+template <class vobj>
+static void localSliceInnerProductVector(std::vector<ComplexD> &result, const Lattice<vobj> &lhs, const Lattice<vobj> &rhs, std::vector<typename vobj::scalar_type> &lsSum, int orthogdim)
+{
+  // std::cout << GridLogMessage << "Start prep" << std::endl;
+  typedef typename vobj::vector_type   vector_type;
+  typedef typename vobj::scalar_type   scalar_type;
+  GridBase  *grid = lhs._grid;
+  assert(grid!=NULL);
+  conformable(grid,rhs._grid);
+
+  const int    Nd = grid->_ndimension;
+  const int Nsimd = grid->Nsimd();
+
+  assert(orthogdim >= 0);
+  assert(orthogdim < Nd);
+
+  int fd=grid->_fdimensions[orthogdim];
+  int ld=grid->_ldimensions[orthogdim];
+  int rd=grid->_rdimensions[orthogdim];
+  // std::cout << GridLogMessage << "Start alloc" << std::endl;
+
+  std::vector<vector_type,alignedAllocator<vector_type> > lvSum(rd); // will locally sum vectors first
+  lsSum.resize(ld,scalar_type(0.0));                    // sum across these down to scalars
+  std::vector<iScalar<scalar_type>> extracted(Nsimd);   // splitting the SIMD  
+  // std::cout << GridLogMessage << "End alloc" << std::endl;
+
+  result.resize(fd); // And then global sum to return the same vector to every node for IO to file
+  for(int r=0;r<rd;r++){
+    lvSum[r]=zero;
+  }
+
+  int e1=    grid->_slice_nblock[orthogdim];
+  int e2=    grid->_slice_block [orthogdim];
+  int stride=grid->_slice_stride[orthogdim];
+  // std::cout << GridLogMessage << "End prep" << std::endl;
+  // std::cout << GridLogMessage << "Start parallel inner product, _rd = " << rd << std::endl;
+  vector_type vv;
+  parallel_for(int r=0;r<rd;r++)
+  {
+
+    int so=r*grid->_ostride[orthogdim]; // base offset for start of plane 
+
+    for(int n=0;n<e1;n++){
+      for(int b=0;b<e2;b++){
+        int ss = so + n * stride + b;
+        vv = TensorRemove(innerProduct(lhs._odata[ss], rhs._odata[ss]));
+        lvSum[r] = lvSum[r] + vv;
+      }
+    }
+  }
+  // std::cout << GridLogMessage << "End parallel inner product" << std::endl;
+
+  // Sum across simd lanes in the plane, breaking out orthog dir.
+  std::vector<int> icoor(Nd);
+  for(int rt=0;rt<rd;rt++){
+
+    iScalar<vector_type> temp; 
+    temp._internal = lvSum[rt];
+    extract(temp,extracted);
+
+    for(int idx=0;idx<Nsimd;idx++){
+
+      grid->iCoorFromIindex(icoor,idx);
+
+      int ldx =rt+icoor[orthogdim]*rd;
+
+      lsSum[ldx]=lsSum[ldx]+extracted[idx]._internal;
+
+    }
+  }
+  // std::cout << GridLogMessage << "End sum over simd lanes" << std::endl;
+}
+template <class vobj>
+static void globalSliceInnerProductVector(std::vector<ComplexD> &result, const Lattice<vobj> &lhs, std::vector<typename vobj::scalar_type> &lsSum, int orthogdim)
+{
+  typedef typename vobj::scalar_type scalar_type;
+  GridBase *grid = lhs._grid;
+  int fd = result.size();
+  int ld = lsSum.size();
+  // sum over nodes.
+  std::vector<scalar_type> gsum;
+  gsum.resize(fd, scalar_type(0.0));
+  // std::cout << GridLogMessage << "Start of gsum[t] creation:" << std::endl;
+  for(int t=0;t<fd;t++){
+    int pt = t/ld; // processor plane
+    int lt = t%ld;
+    if ( pt == grid->_processor_coor[orthogdim] ) {
+      gsum[t]=lsSum[lt];
+    }
+  }
+  // std::cout << GridLogMessage << "End of gsum[t] creation:" << std::endl;
+  // std::cout << GridLogMessage << "Start of GlobalSumVector:" << std::endl;
+  grid->GlobalSumVector(&gsum[0], fd);
+  // std::cout << GridLogMessage << "End of GlobalSumVector:" << std::endl;
+
+  result = gsum;
+}
 template<class vobj>
 static void sliceInnerProductVector( std::vector<ComplexD> & result, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int orthogdim) 
 {

Grid/lattice/Lattice_rng.h

@@ -158,10 +158,19 @@ namespace Grid {
       // tens of seconds per trajectory so this is clean in all reasonable cases,
       // and margin of safety is orders of magnitude.
       // We could hack Sitmo to skip in the higher order words of state if necessary
+      //
+      // Replace with 2^30 ; avoid problem on large volumes
+      //
       /////////////////////////////////////////////////////////////////////////////////////
       //      uint64_t skip = site+1;  //   Old init Skipped then drew.  Checked compat with faster init
+      const int shift = 30;
+
       uint64_t skip = site;
-      skip = skip<<40;
+
+      skip = skip<<shift;
+
+      assert((skip >> shift)==site); // check for overflow
+
       eng.discard(skip);
       //      std::cout << " Engine  " <<site << " state " <<eng<<std::endl;
     } 
@@ -308,6 +317,19 @@ namespace Grid {
       std::seed_seq src(seeds.begin(),seeds.end());
       Seed(src,0);
     }
+
+    void SeedUniqueString(const std::string &s){
+      std::vector<int> seeds;
+      std::stringstream sha;
+      seeds = GridChecksum::sha256_seeds(s);
+      for(int i=0;i<seeds.size();i++) { 
+        sha << std::hex << seeds[i];
+      }
+      std::cout << GridLogMessage << "Intialising serial RNG with unique string '" 
+                << s << "'" << std::endl;
+      std::cout << GridLogMessage << "Seed SHA256: " << sha.str() << std::endl;
+      SeedFixedIntegers(seeds);
+    }
   };
 
   class GridParallelRNG : public GridRNGbase {
@@ -368,6 +390,14 @@ namespace Grid {
       _time_counter += usecond()- inner_time_counter;
     };
 
+    void SeedUniqueString(const std::string &s){
+      std::vector<int> seeds;
+      seeds = GridChecksum::sha256_seeds(s);
+      std::cout << GridLogMessage << "Intialising parallel RNG with unique string '" 
+                << s << "'" << std::endl;
+      std::cout << GridLogMessage << "Seed SHA256: " << GridChecksum::sha256_string(seeds) << std::endl;
+      SeedFixedIntegers(seeds);
+    }
     void SeedFixedIntegers(const std::vector<int> &seeds){
 
       // Everyone generates the same seed_seq based on input seeds

Grid/lattice/Lattice_transfer.h

@@ -464,9 +464,11 @@ void InsertSliceLocal(const Lattice<vobj> &lowDim, Lattice<vobj> & higherDim,int
   assert(orthog>=0);
 
   for(int d=0;d<nh;d++){
+    if ( d!=orthog ) {
       assert(lg->_processors[d]  == hg->_processors[d]);
       assert(lg->_ldimensions[d] == hg->_ldimensions[d]);
     }
+  }
 
   // the above should guarantee that the operations are local
   parallel_for(int idx=0;idx<lg->lSites();idx++){
@@ -485,7 +487,7 @@ void InsertSliceLocal(const Lattice<vobj> &lowDim, Lattice<vobj> & higherDim,int
 
 
 template<class vobj>
-void ExtractSliceLocal(Lattice<vobj> &lowDim, Lattice<vobj> & higherDim,int slice_lo,int slice_hi, int orthog)
+void ExtractSliceLocal(Lattice<vobj> &lowDim,const Lattice<vobj> & higherDim,int slice_lo,int slice_hi, int orthog)
 {
   typedef typename vobj::scalar_object sobj;
 
@@ -499,9 +501,11 @@ void ExtractSliceLocal(Lattice<vobj> &lowDim, Lattice<vobj> & higherDim,int slic
   assert(orthog>=0);
 
   for(int d=0;d<nh;d++){
+    if ( d!=orthog ) {
       assert(lg->_processors[d]  == hg->_processors[d]);
       assert(lg->_ldimensions[d] == hg->_ldimensions[d]);
     }
+  }
 
   // the above should guarantee that the operations are local
   parallel_for(int idx=0;idx<lg->lSites();idx++){

Grid/log/Log.cc

@@ -59,6 +59,7 @@ void GridLogTimestamp(int on){
 }
 
 Colours GridLogColours(0);
+GridLogger GridLogMG     (1, "MG"    , GridLogColours, "NORMAL");
 GridLogger GridLogIRL    (1, "IRL"   , GridLogColours, "NORMAL");
 GridLogger GridLogSolver (1, "Solver", GridLogColours, "NORMAL");
 GridLogger GridLogError  (1, "Error" , GridLogColours, "RED");

Grid/log/Log.h

@@ -86,7 +86,7 @@ protected:
   Colours &Painter;
   int active;
   int timing_mode;
-  int topWidth{-1};
+  int topWidth{-1}, chanWidth{-1};
   static int timestamp;
   std::string name, topName;
   std::string COLOUR;
@@ -126,6 +126,7 @@ public:
     }
   }
   void setTopWidth(const int w) {topWidth = w;}
+  void setChanWidth(const int w) {chanWidth = w;}
 
   friend std::ostream& operator<< (std::ostream& stream, Logger& log){
 
@@ -136,13 +137,20 @@ public:
         stream << std::setw(log.topWidth);
       }
       stream << log.topName << log.background()<< " : ";
-      stream << log.colour() <<  std::left << log.name << log.background() << " : ";
+      stream << log.colour() <<  std::left;
+      if (log.chanWidth > 0)
+      {
+        stream << std::setw(log.chanWidth);
+      }
+      stream << log.name << log.background() << " : ";
       if ( log.timestamp ) {
 	log.StopWatch->Stop();
 	GridTime now = log.StopWatch->Elapsed();
+	
 	if ( log.timing_mode==1 ) log.StopWatch->Reset();
 	log.StopWatch->Start();
-	stream << log.evidence()<< std::setw(6)<<now << log.background() << " : " ;
+	stream << log.evidence()
+	       << now	       << log.background() << " : " ;
       }
       stream << log.colour();
       return stream;
@@ -161,6 +169,7 @@ public:
 
 void GridLogConfigure(std::vector<std::string> &logstreams);
 
+extern GridLogger GridLogMG;
 extern GridLogger GridLogIRL;
 extern GridLogger GridLogSolver;
 extern GridLogger GridLogError;

Grid/parallelIO/BinaryIO.cc

@@ -0,0 +1,3 @@
+#include <Grid/GridCore.h>
+
+int Grid::BinaryIO::latticeWriteMaxRetry = -1;

Grid/parallelIO/BinaryIO.h

@@ -81,6 +81,7 @@ inline void removeWhitespace(std::string &key)
 ///////////////////////////////////////////////////////////////////////////////////////////////////
 class BinaryIO {
  public:
+  static int latticeWriteMaxRetry;
 
   /////////////////////////////////////////////////////////////////////////////
   // more byte manipulation helpers
@@ -263,7 +264,7 @@ PARALLEL_CRITICAL
 			      GridBase *grid,
 			      std::vector<fobj> &iodata,
 			      std::string file,
-			      uint64_t offset,
+			      uint64_t& offset,
 			      const std::string &format, int control,
 			      uint32_t &nersc_csum,
 			      uint32_t &scidac_csuma,
@@ -370,7 +371,7 @@ PARALLEL_CRITICAL
 #endif
       } else {
 	std::cout << GridLogMessage <<"IOobject: C++ read I/O " << file << " : "
-                  << iodata.size() * sizeof(fobj) << " bytes" << std::endl;
+                  << iodata.size() * sizeof(fobj) << " bytes and offset " << offset << std::endl;
         std::ifstream fin;
 	fin.open(file, std::ios::binary | std::ios::in);
         if (control & BINARYIO_MASTER_APPEND)
@@ -431,14 +432,20 @@ PARALLEL_CRITICAL
           MPI_Abort(MPI_COMM_WORLD, 1); //assert(ierr == 0);
         }
 
-        std::cout << GridLogDebug << "MPI read I/O set view " << file << std::endl;
+        std::cout << GridLogDebug << "MPI write I/O set view " << file << std::endl;
         ierr = MPI_File_set_view(fh, disp, mpiObject, fileArray, "native", MPI_INFO_NULL);
         assert(ierr == 0);
 
-        std::cout << GridLogDebug << "MPI read I/O write all " << file << std::endl;
+        std::cout << GridLogDebug << "MPI write I/O write all " << file << std::endl;
         ierr = MPI_File_write_all(fh, &iodata[0], 1, localArray, &status);
         assert(ierr == 0);
 
+        MPI_Offset os;
+        MPI_File_get_position(fh, &os);
+        MPI_File_get_byte_offset(fh, os, &disp);
+        offset = disp;
+
+
         MPI_File_close(&fh);
         MPI_Type_free(&fileArray);
         MPI_Type_free(&localArray);
@@ -448,7 +455,7 @@ PARALLEL_CRITICAL
       } else { 
 
         std::cout << GridLogMessage << "IOobject: C++ write I/O " << file << " : "
-                  << iodata.size() * sizeof(fobj) << " bytes" << std::endl;
+                  << iodata.size() * sizeof(fobj) << " bytes and offset " << offset << std::endl;
         
 	std::ofstream fout; 
 	fout.exceptions ( std::fstream::failbit | std::fstream::badbit );
@@ -495,6 +502,7 @@ PARALLEL_CRITICAL
 	  exit(1);
 #endif
 	}
+  offset  = fout.tellp();
 	fout.close();
       }
       timer.Stop();
@@ -575,7 +583,9 @@ PARALLEL_CRITICAL
     typedef typename vobj::scalar_object sobj;
     typedef typename vobj::Realified::scalar_type word;    word w=0;
     GridBase *grid = Umu._grid;
-    uint64_t lsites = grid->lSites();
+    uint64_t lsites = grid->lSites(), offsetCopy = offset;
+    int attemptsLeft = std::max(0, BinaryIO::latticeWriteMaxRetry);
+    bool checkWrite = (BinaryIO::latticeWriteMaxRetry >= 0);
 
     std::vector<sobj> scalardata(lsites); 
     std::vector<fobj>     iodata(lsites); // Munge, checksum, byte order in here
@@ -590,9 +600,35 @@ PARALLEL_CRITICAL
 
     grid->Barrier();
     timer.Stop();
-
+    while (attemptsLeft >= 0)
+    {
+      grid->Barrier();
       IOobject(w,grid,iodata,file,offset,format,BINARYIO_WRITE|BINARYIO_LEXICOGRAPHIC,
 	             nersc_csum,scidac_csuma,scidac_csumb);
+      if (checkWrite)
+      {
+        std::vector<fobj> ckiodata(lsites);
+        uint32_t          cknersc_csum, ckscidac_csuma, ckscidac_csumb;
+        uint64_t          ckoffset = offsetCopy;
+
+        std::cout << GridLogMessage << "writeLatticeObject: read back object" << std::endl;
+        grid->Barrier();
+        IOobject(w,grid,ckiodata,file,ckoffset,format,BINARYIO_READ|BINARYIO_LEXICOGRAPHIC,
+	               cknersc_csum,ckscidac_csuma,ckscidac_csumb);
+        if ((cknersc_csum != nersc_csum) or (ckscidac_csuma != scidac_csuma) or (ckscidac_csumb != scidac_csumb))
+        {
+          std::cout << GridLogMessage << "writeLatticeObject: read test checksum failure, re-writing (" << attemptsLeft << " attempt(s) remaining)" << std::endl;
+          offset = offsetCopy;
+        }
+        else
+        {
+          std::cout << GridLogMessage << "writeLatticeObject: read test checksum correct" << std::endl;
+          break;
+        }
+      }
+      attemptsLeft--;
+    }
+    
 
     std::cout<<GridLogMessage<<"writeLatticeObject: unvectorize overhead "<<timer.Elapsed()  <<std::endl;
   }
@@ -699,7 +735,6 @@ PARALLEL_CRITICAL
 
     IOobject(w,grid,iodata,file,offset,format,BINARYIO_WRITE|BINARYIO_LEXICOGRAPHIC,
 	     nersc_csum,scidac_csuma,scidac_csumb);
-
     iodata.resize(1);
     {
       std::vector<RngStateType> tmp(RngStateCount);
@@ -719,5 +754,6 @@ PARALLEL_CRITICAL
     std::cout << GridLogMessage << "RNG state overhead " << timer.Elapsed() << std::endl;
   }
 };
+
 }
 #endif

Grid/parallelIO/IldgIO.h

@@ -182,6 +182,11 @@ class GridLimeReader : public BinaryIO {
    {
      filename= _filename;
      File = fopen(filename.c_str(), "r");
+     if (File == nullptr)
+     {
+       std::cerr << "cannot open file '" << filename << "'" << std::endl;
+       abort();
+     }
      LimeR = limeCreateReader(File);
    }
    /////////////////////////////////////////////
@@ -228,7 +233,8 @@ class GridLimeReader : public BinaryIO {
 	//	std::cout << " ReadLatticeObject from offset "<<offset << std::endl;
 	BinarySimpleMunger<sobj,sobj> munge;
 	BinaryIO::readLatticeObject< vobj, sobj >(field, filename, munge, offset, format,nersc_csum,scidac_csuma,scidac_csumb);
-
+  std::cout << GridLogMessage << "SciDAC checksum A " << std::hex << scidac_csuma << std::dec << std::endl;
+  std::cout << GridLogMessage << "SciDAC checksum B " << std::hex << scidac_csumb << std::dec << std::endl;
 	/////////////////////////////////////////////
 	// Insist checksum is next record
 	/////////////////////////////////////////////
@@ -245,8 +251,7 @@ class GridLimeReader : public BinaryIO {
   ////////////////////////////////////////////
   // Read a generic serialisable object
   ////////////////////////////////////////////
-  template<class serialisable_object>
-  void readLimeObject(serialisable_object &object,std::string object_name,std::string record_name)
+  void readLimeObject(std::string &xmlstring,std::string record_name)
   {
     // should this be a do while; can we miss a first record??
     while ( limeReaderNextRecord(LimeR) == LIME_SUCCESS ) { 
@@ -261,15 +266,23 @@ class GridLimeReader : public BinaryIO {
 	limeReaderReadData((void *)&xmlc[0], &nbytes, LimeR);    
 	//	std::cout << GridLogMessage<< " readLimeObject matches XML " << &xmlc[0] <<std::endl;
 
-  std::string xmlstring(&xmlc[0]);
-	XmlReader RD(xmlstring, true, "");
-	read(RD,object_name,object);
+   xmlstring = std::string(&xmlc[0]);
 	return;
       }
 
     }  
     assert(0);
   }
+
+  template<class serialisable_object>
+  void readLimeObject(serialisable_object &object,std::string object_name,std::string record_name)
+  {
+    std::string xmlstring;
+
+    readLimeObject(xmlstring, record_name);
+	  XmlReader RD(xmlstring, true, "");
+	  read(RD,object_name,object);
+  }
 };
 
 class GridLimeWriter : public BinaryIO 
@@ -320,16 +333,11 @@ class GridLimeWriter : public BinaryIO
   ////////////////////////////////////////////
   // Write a generic serialisable object
   ////////////////////////////////////////////
-  template<class serialisable_object>
-  void writeLimeObject(int MB,int ME,serialisable_object &object,std::string object_name,std::string record_name)
+  void writeLimeObject(int MB,int ME,XmlWriter &writer,std::string object_name,std::string record_name)
   {
     if ( boss_node ) {
-      std::string xmlstring;
-      {
-	XmlWriter WR("","");
-	write(WR,object_name,object);
-	xmlstring = WR.XmlString();
-      }
+      std::string xmlstring = writer.docString();
+
       //    std::cout << "WriteLimeObject" << record_name <<std::endl;
       uint64_t nbytes = xmlstring.size();
       //    std::cout << " xmlstring "<< nbytes<< " " << xmlstring <<std::endl;
@@ -343,6 +351,20 @@ class GridLimeWriter : public BinaryIO
       limeDestroyHeader(h);
     }
   }
+
+  template<class serialisable_object>
+  void writeLimeObject(int MB,int ME,serialisable_object &object,std::string object_name,std::string record_name, const unsigned int scientificPrec = 0)
+  {
+    XmlWriter WR("","");
+
+    if (scientificPrec)
+    {
+      WR.scientificFormat(true);
+      WR.setPrecision(scientificPrec);
+    }
+    write(WR,object_name,object);
+    writeLimeObject(MB, ME, WR, object_name, record_name);
+  }
   ////////////////////////////////////////////////////
   // Write a generic lattice field and csum
   // This routine is Collectively called by all nodes
@@ -449,7 +471,8 @@ class ScidacWriter : public GridLimeWriter {
   // Write generic lattice field in scidac format
   ////////////////////////////////////////////////
   template <class vobj, class userRecord>
-  void writeScidacFieldRecord(Lattice<vobj> &field,userRecord _userRecord) 
+  void writeScidacFieldRecord(Lattice<vobj> &field,userRecord _userRecord,
+                              const unsigned int recordScientificPrec = 0) 
   {
     GridBase * grid = field._grid;
 
@@ -467,7 +490,7 @@ class ScidacWriter : public GridLimeWriter {
     //////////////////////////////////////////////
     if ( this->boss_node ) {
       writeLimeObject(1,0,header ,std::string("FieldMetaData"),std::string(GRID_FORMAT)); // Open message 
-      writeLimeObject(0,0,_userRecord,_userRecord.SerialisableClassName(),std::string(SCIDAC_RECORD_XML));
+      writeLimeObject(0,0,_userRecord,_userRecord.SerialisableClassName(),std::string(SCIDAC_RECORD_XML), recordScientificPrec);
       writeLimeObject(0,0,_scidacRecord,_scidacRecord.SerialisableClassName(),std::string(SCIDAC_PRIVATE_RECORD_XML));
     }
     // Collective call

Grid/perfmon/Timer.h

@@ -49,14 +49,38 @@ inline double usecond(void) {
 
 typedef  std::chrono::system_clock          GridClock;
 typedef  std::chrono::time_point<GridClock> GridTimePoint;
-typedef  std::chrono::milliseconds          GridTime;
-typedef  std::chrono::microseconds          GridUsecs;
 
-inline std::ostream& operator<< (std::ostream & stream, const std::chrono::milliseconds & time)
+typedef  std::chrono::seconds               GridSecs;
+typedef  std::chrono::milliseconds          GridMillisecs;
+typedef  std::chrono::microseconds          GridUsecs;
+typedef  std::chrono::microseconds          GridTime;
+
+inline std::ostream& operator<< (std::ostream & stream, const GridSecs & time)
 {
-  stream << time.count()<<" ms";
+  stream << time.count()<<" s";
   return stream;
 }
+inline std::ostream& operator<< (std::ostream & stream, const GridMillisecs & now)
+{
+  GridSecs second(1);
+  auto     secs       = now/second ; 
+  auto     subseconds = now%second ;
+  auto     fill       = stream.fill();
+  stream << secs<<"."<<std::setw(3)<<std::setfill('0')<<subseconds.count()<<" s";
+  stream.fill(fill);
+  return stream;
+}
+inline std::ostream& operator<< (std::ostream & stream, const GridUsecs & now)
+{
+  GridSecs second(1);
+  auto     seconds    = now/second ; 
+  auto     subseconds = now%second ;
+  auto     fill       = stream.fill();
+  stream << seconds<<"."<<std::setw(6)<<std::setfill('0')<<subseconds.count()<<" s";
+  stream.fill(fill);
+  return stream;
+}
+
 
 class GridStopWatch {
 private:
@@ -96,6 +120,9 @@ public:
     assert(running == false);
     return (uint64_t) accumulator.count();
   }
+  bool isRunning(void){
+    return running;
+  }
 };
 
 }