Merge 32e6d58356 into 79ad567dd5

fallback to _POSIX_HOST_NAME_MAX if HOST_NAME_MAX is not defined

.gitignore

@@ -1,3 +1,7 @@
+# Doxygen stuff
+html/*
+latex/*
+
 # Compiled Object files #
 #########################
 *.slo

Grid/Grid_Eigen_Dense.h

@@ -34,7 +34,7 @@
 #pragma push_macro("__SYCL_DEVICE_ONLY__")
 #undef __SYCL_DEVICE_ONLY__
 #define EIGEN_DONT_VECTORIZE
-//#undef EIGEN_USE_SYCL
+#undef EIGEN_USE_SYCL
 #define __SYCL__REDEFINE__
 #endif
 

Grid/algorithms/FFT.h

@@ -29,7 +29,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #define _GRID_FFT_H_
 
 #ifdef HAVE_FFTW
-#ifdef USE_MKL
+#if defined(USE_MKL) || defined(GRID_SYCL)
 #include <fftw/fftw3.h>
 #else
 #include <fftw3.h>

Grid/algorithms/approx/Zolotarev.cc

@@ -293,7 +293,7 @@ static void sncndnFK(INTERNAL_PRECISION u, INTERNAL_PRECISION k,
  * Set type = 0 for the Zolotarev approximation, which is zero at x = 0, and
  * type = 1 for the approximation which is infinite at x = 0. */
 
-zolotarev_data* zolotarev(PRECISION epsilon, int n, int type) {
+zolotarev_data* zolotarev(ZOLO_PRECISION epsilon, int n, int type) {
   INTERNAL_PRECISION A, c, cp, kp, ksq, sn, cn, dn, Kp, Kj, z, z0, t, M, F,
     l, invlambda, xi, xisq, *tv, s, opl;
   int m, czero, ts;
@@ -375,12 +375,12 @@ zolotarev_data* zolotarev(PRECISION epsilon, int n, int type) {
   construct_partfrac(d);
   construct_contfrac(d);
 
-  /* Converting everything to PRECISION for external use only */
+  /* Converting everything to ZOLO_PRECISION for external use only */
 
   zd = (zolotarev_data*) malloc(sizeof(zolotarev_data));
-  zd -> A = (PRECISION) d -> A;
-  zd -> Delta = (PRECISION) d -> Delta;
-  zd -> epsilon = (PRECISION) d -> epsilon;
+  zd -> A = (ZOLO_PRECISION) d -> A;
+  zd -> Delta = (ZOLO_PRECISION) d -> Delta;
+  zd -> epsilon = (ZOLO_PRECISION) d -> epsilon;
   zd -> n = d -> n;
   zd -> type = d -> type;
   zd -> dn = d -> dn;
@@ -390,24 +390,24 @@ zolotarev_data* zolotarev(PRECISION epsilon, int n, int type) {
   zd -> deg_num = d -> deg_num;
   zd -> deg_denom = d -> deg_denom;
 
-  zd -> a = (PRECISION*) malloc(zd -> dn * sizeof(PRECISION));
-  for (m = 0; m < zd -> dn; m++) zd -> a[m] = (PRECISION) d -> a[m];
+  zd -> a = (ZOLO_PRECISION*) malloc(zd -> dn * sizeof(ZOLO_PRECISION));
+  for (m = 0; m < zd -> dn; m++) zd -> a[m] = (ZOLO_PRECISION) d -> a[m];
   free(d -> a);
 
-  zd -> ap = (PRECISION*) malloc(zd -> dd * sizeof(PRECISION));
-  for (m = 0; m < zd -> dd; m++) zd -> ap[m] = (PRECISION) d -> ap[m];
+  zd -> ap = (ZOLO_PRECISION*) malloc(zd -> dd * sizeof(ZOLO_PRECISION));
+  for (m = 0; m < zd -> dd; m++) zd -> ap[m] = (ZOLO_PRECISION) d -> ap[m];
   free(d -> ap);
 
-  zd -> alpha = (PRECISION*) malloc(zd -> da * sizeof(PRECISION));
-  for (m = 0; m < zd -> da; m++) zd -> alpha[m] = (PRECISION) d -> alpha[m];
+  zd -> alpha = (ZOLO_PRECISION*) malloc(zd -> da * sizeof(ZOLO_PRECISION));
+  for (m = 0; m < zd -> da; m++) zd -> alpha[m] = (ZOLO_PRECISION) d -> alpha[m];
   free(d -> alpha);
 
-  zd -> beta = (PRECISION*) malloc(zd -> db * sizeof(PRECISION));
-  for (m = 0; m < zd -> db; m++) zd -> beta[m] = (PRECISION) d -> beta[m];
+  zd -> beta = (ZOLO_PRECISION*) malloc(zd -> db * sizeof(ZOLO_PRECISION));
+  for (m = 0; m < zd -> db; m++) zd -> beta[m] = (ZOLO_PRECISION) d -> beta[m];
   free(d -> beta);
 
-  zd -> gamma = (PRECISION*) malloc(zd -> n * sizeof(PRECISION));
-  for (m = 0; m < zd -> n; m++) zd -> gamma[m] = (PRECISION) d -> gamma[m];
+  zd -> gamma = (ZOLO_PRECISION*) malloc(zd -> n * sizeof(ZOLO_PRECISION));
+  for (m = 0; m < zd -> n; m++) zd -> gamma[m] = (ZOLO_PRECISION) d -> gamma[m];
   free(d -> gamma);
 
   free(d);
@@ -426,7 +426,7 @@ void zolotarev_free(zolotarev_data *zdata)
 }
 
 
-zolotarev_data* higham(PRECISION epsilon, int n) {
+zolotarev_data* higham(ZOLO_PRECISION epsilon, int n) {
   INTERNAL_PRECISION A, M, c, cp, z, z0, t, epssq;
   int m, czero;
   zolotarev_data *zd;
@@ -481,9 +481,9 @@ zolotarev_data* higham(PRECISION epsilon, int n) {
   /* Converting everything to PRECISION for external use only */
 
   zd = (zolotarev_data*) malloc(sizeof(zolotarev_data));
-  zd -> A = (PRECISION) d -> A;
-  zd -> Delta = (PRECISION) d -> Delta;
-  zd -> epsilon = (PRECISION) d -> epsilon;
+  zd -> A = (ZOLO_PRECISION) d -> A;
+  zd -> Delta = (ZOLO_PRECISION) d -> Delta;
+  zd -> epsilon = (ZOLO_PRECISION) d -> epsilon;
   zd -> n = d -> n;
   zd -> type = d -> type;
   zd -> dn = d -> dn;
@@ -493,24 +493,24 @@ zolotarev_data* higham(PRECISION epsilon, int n) {
   zd -> deg_num = d -> deg_num;
   zd -> deg_denom = d -> deg_denom;
 
-  zd -> a = (PRECISION*) malloc(zd -> dn * sizeof(PRECISION));
-  for (m = 0; m < zd -> dn; m++) zd -> a[m] = (PRECISION) d -> a[m];
+  zd -> a = (ZOLO_PRECISION*) malloc(zd -> dn * sizeof(ZOLO_PRECISION));
+  for (m = 0; m < zd -> dn; m++) zd -> a[m] = (ZOLO_PRECISION) d -> a[m];
   free(d -> a);
 
-  zd -> ap = (PRECISION*) malloc(zd -> dd * sizeof(PRECISION));
-  for (m = 0; m < zd -> dd; m++) zd -> ap[m] = (PRECISION) d -> ap[m];
+  zd -> ap = (ZOLO_PRECISION*) malloc(zd -> dd * sizeof(ZOLO_PRECISION));
+  for (m = 0; m < zd -> dd; m++) zd -> ap[m] = (ZOLO_PRECISION) d -> ap[m];
   free(d -> ap);
 
-  zd -> alpha = (PRECISION*) malloc(zd -> da * sizeof(PRECISION));
-  for (m = 0; m < zd -> da; m++) zd -> alpha[m] = (PRECISION) d -> alpha[m];
+  zd -> alpha = (ZOLO_PRECISION*) malloc(zd -> da * sizeof(ZOLO_PRECISION));
+  for (m = 0; m < zd -> da; m++) zd -> alpha[m] = (ZOLO_PRECISION) d -> alpha[m];
   free(d -> alpha);
 
-  zd -> beta = (PRECISION*) malloc(zd -> db * sizeof(PRECISION));
-  for (m = 0; m < zd -> db; m++) zd -> beta[m] = (PRECISION) d -> beta[m];
+  zd -> beta = (ZOLO_PRECISION*) malloc(zd -> db * sizeof(ZOLO_PRECISION));
+  for (m = 0; m < zd -> db; m++) zd -> beta[m] = (ZOLO_PRECISION) d -> beta[m];
   free(d -> beta);
 
-  zd -> gamma = (PRECISION*) malloc(zd -> n * sizeof(PRECISION));
-  for (m = 0; m < zd -> n; m++) zd -> gamma[m] = (PRECISION) d -> gamma[m];
+  zd -> gamma = (ZOLO_PRECISION*) malloc(zd -> n * sizeof(ZOLO_PRECISION));
+  for (m = 0; m < zd -> n; m++) zd -> gamma[m] = (ZOLO_PRECISION) d -> gamma[m];
   free(d -> gamma);
 
   free(d);
@@ -523,17 +523,17 @@ NAMESPACE_END(Grid);
 #ifdef TEST
 
 #undef ZERO
-#define ZERO ((PRECISION) 0)
+#define ZERO ((ZOLO_PRECISION) 0)
 #undef ONE
-#define ONE ((PRECISION) 1)
+#define ONE ((ZOLO_PRECISION) 1)
 #undef TWO
-#define TWO ((PRECISION) 2)
+#define TWO ((ZOLO_PRECISION) 2)
 
 /* Evaluate the rational approximation R(x) using the factored form */
 
-static PRECISION zolotarev_eval(PRECISION x, zolotarev_data* rdata) {
+static ZOLO_PRECISION zolotarev_eval(ZOLO_PRECISION x, zolotarev_data* rdata) {
   int m;
-  PRECISION R;
+  ZOLO_PRECISION R;
 
   if (rdata -> type == 0) {
     R = rdata -> A * x;
@@ -551,9 +551,9 @@ static PRECISION zolotarev_eval(PRECISION x, zolotarev_data* rdata) {
 
 /* Evaluate the rational approximation R(x) using the partial fraction form */
 
-static PRECISION zolotarev_partfrac_eval(PRECISION x, zolotarev_data* rdata) {
+static ZOLO_PRECISION zolotarev_partfrac_eval(ZOLO_PRECISION x, zolotarev_data* rdata) {
   int m;
-  PRECISION R = rdata -> alpha[rdata -> da - 1];
+  ZOLO_PRECISION R = rdata -> alpha[rdata -> da - 1];
   for (m = 0; m < rdata -> dd; m++)
     R += rdata -> alpha[m] / (x * x - rdata -> ap[m]);
   if (rdata -> type == 1) R += rdata -> alpha[rdata -> dd] / (x * x);
@@ -568,18 +568,18 @@ static PRECISION zolotarev_partfrac_eval(PRECISION x, zolotarev_data* rdata) {
  * non-signalling overflow this will work correctly since 1/(1/0) = 1/INF = 0,
  * but with signalling overflow you will get an error message. */
 
-static PRECISION zolotarev_contfrac_eval(PRECISION x, zolotarev_data* rdata) {
+static ZOLO_PRECISION zolotarev_contfrac_eval(ZOLO_PRECISION x, zolotarev_data* rdata) {
   int m;
-  PRECISION R = rdata -> beta[0] * x;
+  ZOLO_PRECISION R = rdata -> beta[0] * x;
   for (m = 1; m < rdata -> db; m++) R = rdata -> beta[m] * x + ONE / R;
   return R;
 }    
 
 /* Evaluate the rational approximation R(x) using Cayley form */
 
-static PRECISION zolotarev_cayley_eval(PRECISION x, zolotarev_data* rdata) {
+static ZOLO_PRECISION zolotarev_cayley_eval(ZOLO_PRECISION x, zolotarev_data* rdata) {
   int m;
-  PRECISION T;
+  ZOLO_PRECISION T;
 
   T = rdata -> type == 0 ? ONE : -ONE;
   for (m = 0; m < rdata -> n; m++)
@@ -607,7 +607,7 @@ int main(int argc, char** argv) {
   int m, n, plotpts = 5000, type = 0;
   float eps, x, ypferr, ycferr, ycaylerr, maxypferr, maxycferr, maxycaylerr;
   zolotarev_data *rdata;
-  PRECISION y;
+  ZOLO_PRECISION y;
   FILE *plot_function, *plot_error, 
     *plot_partfrac, *plot_contfrac, *plot_cayley;
 
@@ -626,13 +626,13 @@ int main(int argc, char** argv) {
   }
 
   rdata = type == 2 
-    ? higham((PRECISION) eps, n) 
-    : zolotarev((PRECISION) eps, n, type);
+    ? higham((ZOLO_PRECISION) eps, n) 
+    : zolotarev((ZOLO_PRECISION) eps, n, type);
 
   printf("Zolotarev Test: R(epsilon = %g, n = %d, type = %d)\n\t" 
 	 STRINGIFY(VERSION) "\n\t" STRINGIFY(HVERSION)
 	 "\n\tINTERNAL_PRECISION = " STRINGIFY(INTERNAL_PRECISION)
-	 "\tPRECISION = " STRINGIFY(PRECISION)
+	 "\tZOLO_PRECISION = " STRINGIFY(ZOLO_PRECISION)
 	 "\n\n\tRational approximation of degree (%d,%d), %s at x = 0\n"
 	 "\tDelta = %g (maximum error)\n\n"
 	 "\tA = %g (overall factor)\n",
@@ -681,15 +681,15 @@ int main(int argc, char** argv) {
     x = 2.4 * (float) m / plotpts - 1.2;
     if (rdata -> type == 0 || fabs(x) * (float) plotpts > 1.0) {
       /* skip x = 0 for type 1, as R(0) is singular */
-      y = zolotarev_eval((PRECISION) x, rdata);
+      y = zolotarev_eval((ZOLO_PRECISION) x, rdata);
       fprintf(plot_function, "%g %g\n", x, (float) y);
       fprintf(plot_error, "%g %g\n",
 	      x, (float)((y - ((x > 0.0 ? ONE : -ONE))) / rdata -> Delta));
-      ypferr = (float)((zolotarev_partfrac_eval((PRECISION) x, rdata) - y)
+      ypferr = (float)((zolotarev_partfrac_eval((ZOLO_PRECISION) x, rdata) - y)
 		       / rdata -> Delta);
-      ycferr = (float)((zolotarev_contfrac_eval((PRECISION) x, rdata) - y)
+      ycferr = (float)((zolotarev_contfrac_eval((ZOLO_PRECISION) x, rdata) - y)
 		       / rdata -> Delta);
-      ycaylerr = (float)((zolotarev_cayley_eval((PRECISION) x, rdata) - y)
+      ycaylerr = (float)((zolotarev_cayley_eval((ZOLO_PRECISION) x, rdata) - y)
 		       / rdata -> Delta);
       if (fabs(x) < 1.0 && fabs(x) > rdata -> epsilon) {
 	maxypferr = MAX(maxypferr, fabs(ypferr));

Grid/algorithms/approx/Zolotarev.h

@@ -9,10 +9,10 @@ NAMESPACE_BEGIN(Approx);
 #define HVERSION Header Time-stamp: <14-OCT-2004 09:26:51.00 adk@MISSCONTRARY>
 
 #ifndef ZOLOTAREV_INTERNAL
-#ifndef PRECISION
-#define PRECISION double
+#ifndef ZOLO_PRECISION
+#define ZOLO_PRECISION double
 #endif
-#define ZPRECISION PRECISION
+#define ZPRECISION ZOLO_PRECISION
 #define ZOLOTAREV_DATA zolotarev_data
 #endif
 
@@ -77,8 +77,8 @@ typedef struct {
  * zolotarev_data structure. The arguments must satisfy the constraints that
  * epsilon > 0, n > 0, and type = 0 or 1. */
 
-ZOLOTAREV_DATA* higham(PRECISION epsilon, int n) ;
-ZOLOTAREV_DATA* zolotarev(PRECISION epsilon, int n, int type);
+ZOLOTAREV_DATA* higham(ZOLO_PRECISION epsilon, int n) ;
+ZOLOTAREV_DATA* zolotarev(ZOLO_PRECISION epsilon, int n, int type);
 void zolotarev_free(zolotarev_data *zdata);
 #endif
 
@@ -86,3 +86,4 @@ void zolotarev_free(zolotarev_data *zdata);
 NAMESPACE_END(Approx);
 NAMESPACE_END(Grid);
 #endif
+

Grid/algorithms/blas/BatchedBlas.cc

@@ -0,0 +1,34 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: BatchedBlas.h
+
+    Copyright (C) 2023
+
+Author: Peter Boyle <pboyle@bnl.gov>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/GridCore.h>
+#include <Grid/algorithms/blas/BatchedBlas.h>
+NAMESPACE_BEGIN(Grid);
+gridblasHandle_t GridBLAS::gridblasHandle;
+int              GridBLAS::gridblasInit;
+NAMESPACE_END(Grid);
+

Grid/algorithms/blas/BatchedBlas.h

@@ -0,0 +1,727 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: BatchedBlas.h
+
+    Copyright (C) 2023
+
+Author: Peter Boyle <pboyle@bnl.gov>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+#ifdef GRID_HIP
+#include <hipblas/hipblas.h>
+#endif
+#ifdef GRID_CUDA
+#include <cublas_v2.h>
+#endif
+#ifdef GRID_SYCL
+#include <oneapi/mkl.hpp>
+#endif
+#if 0
+#define GRID_ONE_MKL
+#endif
+#ifdef GRID_ONE_MKL
+#include <oneapi/mkl.hpp>
+#endif
+///////////////////////////////////////////////////////////////////////	  
+// Need to rearrange lattice data to be in the right format for a
+// batched multiply. Might as well make these static, dense packed
+///////////////////////////////////////////////////////////////////////
+NAMESPACE_BEGIN(Grid);
+#ifdef GRID_HIP
+  typedef hipblasHandle_t gridblasHandle_t;
+#endif
+#ifdef GRID_CUDA
+  typedef cublasHandle_t gridblasHandle_t;
+#endif
+#ifdef GRID_SYCL
+  typedef cl::sycl::queue *gridblasHandle_t;
+#endif
+#ifdef GRID_ONE_MKL
+  typedef cl::sycl::queue *gridblasHandle_t;
+#endif
+#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP) && !defined(GRID_ONE_MKL)
+  typedef int32_t gridblasHandle_t;
+#endif
+
+enum GridBLASOperation_t { GridBLAS_OP_N, GridBLAS_OP_T, GridBLAS_OP_C } ;
+
+class GridBLAS {
+public:
+
+  
+  static gridblasHandle_t gridblasHandle;
+  static int            gridblasInit;
+  
+  static void Init(void)
+  {
+    if ( ! gridblasInit ) {
+#ifdef GRID_CUDA
+      std::cout << "cublasCreate"<<std::endl;
+      cublasCreate(&gridblasHandle);
+      cublasSetPointerMode(gridblasHandle, CUBLAS_POINTER_MODE_DEVICE);
+#endif
+#ifdef GRID_HIP
+      std::cout << "hipblasCreate"<<std::endl;
+      hipblasCreate(&gridblasHandle);
+#endif
+#ifdef GRID_SYCL
+      gridblasHandle = theGridAccelerator;
+#endif
+#ifdef GRID_ONE_MKL
+      cl::sycl::cpu_selector selector;
+      cl::sycl::device selectedDevice { selector };
+      gridblasHandle =new sycl::queue (selectedDevice);
+#endif
+      gridblasInit=1;
+    }
+  }
+  
+  // Force construct once
+  GridBLAS() { Init(); };
+  ~GridBLAS() { };
+  
+  /////////////////////////////////////////////////////////////////////////////////////
+  // BLAS GEMM conventions:
+  /////////////////////////////////////////////////////////////////////////////////////
+  // - C = alpha A * B + beta C
+  // Dimensions:
+  // - C_m.n
+  // - A_m.k
+  // - B_k.n
+  // - Flops = 8 M N K
+  // - Bytes = 2*sizeof(word) * (MN+MK+KN)
+  // M=60, N=12
+  // Flop/Byte = 8 . 60.60.12 / (60.12+60.60+60.12)/16 = 4 so expect about 4 TF/s on a GCD
+  /////////////////////////////////////////////////////////////////////////////////////
+  void synchronise(void)
+  {
+#ifdef GRID_HIP
+    auto err = hipDeviceSynchronize();
+    assert(err==hipSuccess);
+#endif
+#ifdef GRID_CUDA
+    auto err = cudaDeviceSynchronize();
+    assert(err==cudaSuccess);
+#endif
+#ifdef GRID_SYCL
+    accelerator_barrier();
+#endif
+#ifdef GRID_ONE_MKL
+    gridblasHandle->wait();
+#endif
+  }
+  
+  void gemmBatched(int m,int n, int k,
+		   ComplexD alpha,
+		   deviceVector<ComplexD*> &Amk,  // pointer list to matrices
+		   deviceVector<ComplexD*> &Bkn,
+		   ComplexD beta,
+		   deviceVector<ComplexD*> &Cmn)
+  {
+    gemmBatched(GridBLAS_OP_N,GridBLAS_OP_N,
+		m,n,k,
+		alpha,
+		Amk,
+		Bkn,
+		beta,
+		Cmn);
+  }
+  void gemmBatched(int m,int n, int k,
+		   ComplexF alpha,
+		   deviceVector<ComplexF*> &Amk,  // pointer list to matrices
+		   deviceVector<ComplexF*> &Bkn,
+		   ComplexF beta,
+		   deviceVector<ComplexF*> &Cmn)
+  {
+    gemmBatched(GridBLAS_OP_N,GridBLAS_OP_N,
+		m,n,k,
+		alpha,
+		Amk,
+		Bkn,
+		beta,
+		Cmn);
+  }
+  void gemmBatched(int m,int n, int k,
+		   RealD alpha,
+		   deviceVector<RealD*> &Amk,  // pointer list to matrices
+		   deviceVector<RealD*> &Bkn,
+		   RealD beta,
+		   deviceVector<RealD*> &Cmn)
+  {
+    gemmBatched(GridBLAS_OP_N,GridBLAS_OP_N,
+		m,n,k,
+		alpha,
+		Amk,
+		Bkn,
+		beta,
+		Cmn);
+  }
+  void gemmBatched(int m,int n, int k,
+		   RealF alpha,
+		   deviceVector<RealF*> &Amk,  // pointer list to matrices
+		   deviceVector<RealF*> &Bkn,
+		   RealF beta,
+		   deviceVector<RealF*> &Cmn)
+  {
+    gemmBatched(GridBLAS_OP_N,GridBLAS_OP_N,
+		m,n,k,
+		alpha,
+		Amk,
+		Bkn,
+		beta,
+		Cmn);
+  }
+
+  void gemmBatched(GridBLASOperation_t OpA,
+		   GridBLASOperation_t OpB,
+		   int m,int n, int k,
+		   ComplexD alpha,
+		   deviceVector<ComplexD*> &Amk,  // pointer list to matrices
+		   deviceVector<ComplexD*> &Bkn,
+		   ComplexD beta,
+		   deviceVector<ComplexD*> &Cmn)
+  {
+    RealD t2=usecond();
+    int32_t batchCount = Amk.size();
+    assert(Bkn.size()==batchCount);
+    assert(Cmn.size()==batchCount);
+
+    int lda = m; // m x k column major
+    int ldb = k; // k x n column major
+    int ldc = m; // m x b column major
+    if(OpA!=GridBLAS_OP_N)
+      lda = k;
+    if(OpB!=GridBLAS_OP_N)
+      ldb = n;
+    
+    static deviceVector<ComplexD> alpha_p(1);
+    static deviceVector<ComplexD> beta_p(1);
+    // can prestore the 1 and the zero on device
+    acceleratorCopyToDevice((void *)&alpha,(void *)&alpha_p[0],sizeof(ComplexD));
+    acceleratorCopyToDevice((void *)&beta ,(void *)&beta_p[0],sizeof(ComplexD));
+    RealD t0=usecond();
+    //    std::cout << "ZgemmBatched mnk  "<<m<<","<<n<<","<<k<<" count "<<batchCount<<std::endl;
+#ifdef GRID_HIP
+    hipblasOperation_t hOpA;
+    hipblasOperation_t hOpB;
+    if ( OpA == GridBLAS_OP_N ) hOpA = HIPBLAS_OP_N;
+    if ( OpA == GridBLAS_OP_T ) hOpA = HIPBLAS_OP_T;
+    if ( OpA == GridBLAS_OP_C ) hOpA = HIPBLAS_OP_C;
+    if ( OpB == GridBLAS_OP_N ) hOpB = HIPBLAS_OP_N;
+    if ( OpB == GridBLAS_OP_T ) hOpB = HIPBLAS_OP_T;
+    if ( OpB == GridBLAS_OP_C ) hOpB = HIPBLAS_OP_C;
+    auto err = hipblasZgemmBatched(gridblasHandle,
+				   hOpA,
+				   hOpB,
+				   m,n,k,
+				   (hipblasDoubleComplex *) &alpha_p[0],
+				   (hipblasDoubleComplex **)&Amk[0], lda,
+				   (hipblasDoubleComplex **)&Bkn[0], ldb,
+				   (hipblasDoubleComplex *) &beta_p[0],
+				   (hipblasDoubleComplex **)&Cmn[0], ldc,
+				   batchCount);
+    //	 std::cout << " hipblas return code " <<(int)err<<std::endl;
+    assert(err==HIPBLAS_STATUS_SUCCESS);
+#endif
+#ifdef GRID_CUDA
+    cublasOperation_t hOpA;
+    cublasOperation_t hOpB;
+    if ( OpA == GridBLAS_OP_N ) hOpA = CUBLAS_OP_N;
+    if ( OpA == GridBLAS_OP_T ) hOpA = CUBLAS_OP_T;
+    if ( OpA == GridBLAS_OP_C ) hOpA = CUBLAS_OP_C;
+    if ( OpB == GridBLAS_OP_N ) hOpB = CUBLAS_OP_N;
+    if ( OpB == GridBLAS_OP_T ) hOpB = CUBLAS_OP_T;
+    if ( OpB == GridBLAS_OP_C ) hOpB = CUBLAS_OP_C;
+    auto err = cublasZgemmBatched(gridblasHandle,
+				  hOpA,
+				  hOpB,
+				  m,n,k,
+				  (cuDoubleComplex *) &alpha_p[0],
+				  (cuDoubleComplex **)&Amk[0], lda,
+				  (cuDoubleComplex **)&Bkn[0], ldb,
+				  (cuDoubleComplex *) &beta_p[0],
+				  (cuDoubleComplex **)&Cmn[0], ldc,
+				  batchCount);
+    assert(err==CUBLAS_STATUS_SUCCESS);
+#endif
+#ifdef GRID_SYCL
+    //MKL’s cblas_<T>gemm_batch & OneAPI
+#warning "oneMKL implementation not built "
+#endif
+#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP)
+    // Need a default/reference implementation
+    int sda = lda*k;
+    int sdb = ldb*k;
+    int sdc = ldc*n;
+    for (int p = 0; p < batchCount; ++p) {
+      for (int mm = 0; mm < m; ++mm) {
+	for (int nn = 0; nn < n; ++nn) {
+	  ComplexD c_mn(0.0);
+	  for (int kk = 0; kk < k; ++kk)
+	    c_mn += Amk[p][mm + kk*lda ] * Bkn[p][kk + nn*ldb];
+	  Cmn[p][mm + nn*ldc] =  (alpha)*c_mn + (beta)*Cmn[p][mm + nn*ldc ];
+	}
+      }
+    }
+#endif
+    //    synchronise();
+     RealD t1=usecond();
+     RealD flops = 8.0*m*n*k*batchCount;
+     RealD bytes = 1.0*sizeof(ComplexD)*(m*k+k*n+m*n)*batchCount;
+     //     std::cout <<GridLogMessage<< " batched Blas copy "<<(t0-t2)/1.e3 <<" ms "<<std::endl;
+     //     std::cout <<GridLogMessage<< " batched Blas zGemm call "<<m<<","<<n<<","<<k<<" "<< flops/(t1-t0)/1.e3 <<" GF/s "<<(t1-t0)/1.e3<<" ms "<<std::endl;
+     //     std::cout <<GridLogMessage<< " batched Blas zGemm call "<<m<<","<<n<<","<<k<<" "<< bytes/(t1-t0)/1.e3 <<" GB/s "<<(t1-t0)/1.e3<<" ms "<<std::endl;
+  }
+
+  void gemmBatched(GridBLASOperation_t OpA,
+		   GridBLASOperation_t OpB,
+		   int m,int n, int k,
+		   ComplexF alpha,
+		   deviceVector<ComplexF*> &Amk,  // pointer list to matrices
+		   deviceVector<ComplexF*> &Bkn,
+		   ComplexF beta,
+		   deviceVector<ComplexF*> &Cmn)
+  {
+    RealD t2=usecond();
+    int32_t batchCount = Amk.size();
+
+    int lda = m; // m x k column major
+    int ldb = k; // k x n column major
+    int ldc = m; // m x b column major
+    if(OpA!=GridBLAS_OP_N)
+      lda = k;
+    if(OpB!=GridBLAS_OP_N)
+      ldb = n;
+    static deviceVector<ComplexF> alpha_p(1);
+    static deviceVector<ComplexF> beta_p(1);
+    // can prestore the 1 and the zero on device
+    acceleratorCopyToDevice((void *)&alpha,(void *)&alpha_p[0],sizeof(ComplexF));
+    acceleratorCopyToDevice((void *)&beta ,(void *)&beta_p[0],sizeof(ComplexF));
+    RealD t0=usecond();
+
+    assert(Bkn.size()==batchCount);
+    assert(Cmn.size()==batchCount);
+#ifdef GRID_HIP
+    hipblasOperation_t hOpA;
+    hipblasOperation_t hOpB;
+    if ( OpA == GridBLAS_OP_N ) hOpA = HIPBLAS_OP_N;
+    if ( OpA == GridBLAS_OP_T ) hOpA = HIPBLAS_OP_T;
+    if ( OpA == GridBLAS_OP_C ) hOpA = HIPBLAS_OP_C;
+    if ( OpB == GridBLAS_OP_N ) hOpB = HIPBLAS_OP_N;
+    if ( OpB == GridBLAS_OP_T ) hOpB = HIPBLAS_OP_T;
+    if ( OpB == GridBLAS_OP_C ) hOpB = HIPBLAS_OP_C;
+    auto err = hipblasCgemmBatched(gridblasHandle,
+				   hOpA,
+				   hOpB,
+				   m,n,k,
+				   (hipblasComplex *) &alpha_p[0],
+				   (hipblasComplex **)&Amk[0], lda,
+				   (hipblasComplex **)&Bkn[0], ldb,
+				   (hipblasComplex *) &beta_p[0],
+				   (hipblasComplex **)&Cmn[0], ldc,
+				   batchCount);
+
+    assert(err==HIPBLAS_STATUS_SUCCESS);
+#endif
+#ifdef GRID_CUDA
+    cublasOperation_t hOpA;
+    cublasOperation_t hOpB;
+    if ( OpA == GridBLAS_OP_N ) hOpA = CUBLAS_OP_N;
+    if ( OpA == GridBLAS_OP_T ) hOpA = CUBLAS_OP_T;
+    if ( OpA == GridBLAS_OP_C ) hOpA = CUBLAS_OP_C;
+    if ( OpB == GridBLAS_OP_N ) hOpB = CUBLAS_OP_N;
+    if ( OpB == GridBLAS_OP_T ) hOpB = CUBLAS_OP_T;
+    if ( OpB == GridBLAS_OP_C ) hOpB = CUBLAS_OP_C;
+    auto err = cublasCgemmBatched(gridblasHandle,
+				  hOpA,
+				  hOpB,
+				  m,n,k,
+				  (cuComplex *) &alpha_p[0],
+				  (cuComplex **)&Amk[0], lda,
+				  (cuComplex **)&Bkn[0], ldb,
+				  (cuComplex *) &beta_p[0],
+				  (cuComplex **)&Cmn[0], ldc,
+				  batchCount);
+    assert(err==CUBLAS_STATUS_SUCCESS);
+#endif
+#ifdef GRID_SYCL
+    //MKL’s cblas_<T>gemm_batch & OneAPI
+#warning "oneMKL implementation not built "
+#endif
+#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP)
+    int sda = lda*k;
+    int sdb = ldb*k;
+    int sdc = ldc*n;
+    ComplexF alphaf(real(alpha),imag(alpha));
+    ComplexF betaf(real(beta),imag(beta));
+    // Need a default/reference implementation
+    for (int p = 0; p < batchCount; ++p) {
+      for (int mm = 0; mm < m; ++mm) {
+	for (int nn = 0; nn < n; ++nn) {
+	  ComplexF c_mn(0.0);
+	  for (int kk = 0; kk < k; ++kk)
+	    c_mn += Amk[p][mm + kk*lda ] * Bkn[p][kk + nn*ldb];
+	  Cmn[p][mm + nn*ldc] =  (alphaf)*c_mn + (betaf)*Cmn[p][mm + nn*ldc ];
+	}
+      }
+    }
+#endif
+     RealD t1=usecond();
+     RealD flops = 8.0*m*n*k*batchCount;
+     RealD bytes = 1.0*sizeof(ComplexF)*(m*k+k*n+m*n)*batchCount;
+  }
+  
+  ///////////////////////////////////////////////////////////////////////////
+  // Single precision real GEMM
+  ///////////////////////////////////////////////////////////////////////////
+
+  void gemmBatched(GridBLASOperation_t OpA,
+		   GridBLASOperation_t OpB,
+		   int m,int n, int k,
+		   RealF alpha,
+		   deviceVector<RealF*> &Amk,  // pointer list to matrices
+		   deviceVector<RealF*> &Bkn,
+		   RealF beta,
+		   deviceVector<RealF*> &Cmn)
+  {
+    RealD t2=usecond();
+    int32_t batchCount = Amk.size();
+
+    int lda = m; // m x k column major
+    int ldb = k; // k x n column major
+    int ldc = m; // m x b column major
+    if(OpA!=GridBLAS_OP_N)
+      lda = k;
+    if(OpB!=GridBLAS_OP_N)
+      ldb = n;
+    static deviceVector<RealF> alpha_p(1);
+    static deviceVector<RealF> beta_p(1);
+    // can prestore the 1 and the zero on device
+    acceleratorCopyToDevice((void *)&alpha,(void *)&alpha_p[0],sizeof(RealF));
+    acceleratorCopyToDevice((void *)&beta ,(void *)&beta_p[0],sizeof(RealF));
+    RealD t0=usecond();
+
+    assert(Bkn.size()==batchCount);
+    assert(Cmn.size()==batchCount);
+#ifdef GRID_HIP
+    hipblasOperation_t hOpA;
+    hipblasOperation_t hOpB;
+    if ( OpA == GridBLAS_OP_N ) hOpA = HIPBLAS_OP_N;
+    if ( OpA == GridBLAS_OP_T ) hOpA = HIPBLAS_OP_T;
+    if ( OpA == GridBLAS_OP_C ) hOpA = HIPBLAS_OP_C;
+    if ( OpB == GridBLAS_OP_N ) hOpB = HIPBLAS_OP_N;
+    if ( OpB == GridBLAS_OP_T ) hOpB = HIPBLAS_OP_T;
+    if ( OpB == GridBLAS_OP_C ) hOpB = HIPBLAS_OP_C;
+    auto err = hipblasSgemmBatched(gridblasHandle,
+				   hOpA,
+				   hOpB,
+				   m,n,k,
+				   (float *) &alpha_p[0],
+				   (float **)&Amk[0], lda,
+				   (float **)&Bkn[0], ldb,
+				   (float *) &beta_p[0],
+				   (float **)&Cmn[0], ldc,
+				   batchCount);
+    assert(err==HIPBLAS_STATUS_SUCCESS);
+#endif
+#ifdef GRID_CUDA
+    cublasOperation_t hOpA;
+    cublasOperation_t hOpB;
+    if ( OpA == GridBLAS_OP_N ) hOpA = CUBLAS_OP_N;
+    if ( OpA == GridBLAS_OP_T ) hOpA = CUBLAS_OP_T;
+    if ( OpA == GridBLAS_OP_C ) hOpA = CUBLAS_OP_C;
+    if ( OpB == GridBLAS_OP_N ) hOpB = CUBLAS_OP_N;
+    if ( OpB == GridBLAS_OP_T ) hOpB = CUBLAS_OP_T;
+    if ( OpB == GridBLAS_OP_C ) hOpB = CUBLAS_OP_C;
+    auto err = cublasSgemmBatched(gridblasHandle,
+				  hOpA,
+				  hOpB,
+				  m,n,k,
+				  (float *) &alpha_p[0],
+				  (float **)&Amk[0], lda,
+				  (float **)&Bkn[0], ldb,
+				  (float *) &beta_p[0],
+				  (float **)&Cmn[0], ldc,
+				  batchCount);
+    assert(err==CUBLAS_STATUS_SUCCESS);
+#endif
+#ifdef GRID_SYCL
+    //MKL’s cblas_<T>gemm_batch & OneAPI
+#warning "oneMKL implementation not built "
+#endif
+#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP)
+    int sda = lda*k;
+    int sdb = ldb*k;
+    int sdc = ldc*n;
+    // Need a default/reference implementation
+    for (int p = 0; p < batchCount; ++p) {
+      for (int mm = 0; mm < m; ++mm) {
+	for (int nn = 0; nn < n; ++nn) {
+	  RealD c_mn(0.0);
+	  for (int kk = 0; kk < k; ++kk)
+	    c_mn += Amk[p][mm + kk*lda ] * Bkn[p][kk + nn*ldb];
+	  Cmn[p][mm + nn*ldc] =  (alpha)*c_mn + (beta)*Cmn[p][mm + nn*ldc ];
+	}
+      }
+    }
+#endif
+     RealD t1=usecond();
+     RealD flops = 2.0*m*n*k*batchCount;
+     RealD bytes = 1.0*sizeof(RealF)*(m*k+k*n+m*n)*batchCount;
+  }
+  
+  
+  ///////////////////////////////////////////////////////////////////////////
+  // Double precision real GEMM
+  ///////////////////////////////////////////////////////////////////////////
+
+  void gemmBatched(GridBLASOperation_t OpA,
+		   GridBLASOperation_t OpB,
+		   int m,int n, int k,
+		   RealD alpha,
+		   deviceVector<RealD*> &Amk,  // pointer list to matrices
+		   deviceVector<RealD*> &Bkn,
+		   RealD beta,
+		   deviceVector<RealD*> &Cmn)
+  {
+    RealD t2=usecond();
+    int32_t batchCount = Amk.size();
+
+    int lda = m; // m x k column major
+    int ldb = k; // k x n column major
+    int ldc = m; // m x b column major
+    if(OpA!=GridBLAS_OP_N)
+      lda = k;
+    if(OpB!=GridBLAS_OP_N)
+      ldb = n;
+    
+    static deviceVector<RealD> alpha_p(1);
+    static deviceVector<RealD> beta_p(1);
+    // can prestore the 1 and the zero on device
+    acceleratorCopyToDevice((void *)&alpha,(void *)&alpha_p[0],sizeof(RealD));
+    acceleratorCopyToDevice((void *)&beta ,(void *)&beta_p[0],sizeof(RealD));
+    RealD t0=usecond();
+
+    assert(Bkn.size()==batchCount);
+    assert(Cmn.size()==batchCount);
+#ifdef GRID_HIP
+    hipblasOperation_t hOpA;
+    hipblasOperation_t hOpB;
+    if ( OpA == GridBLAS_OP_N ) hOpA = HIPBLAS_OP_N;
+    if ( OpA == GridBLAS_OP_T ) hOpA = HIPBLAS_OP_T;
+    if ( OpA == GridBLAS_OP_C ) hOpA = HIPBLAS_OP_C;
+    if ( OpB == GridBLAS_OP_N ) hOpB = HIPBLAS_OP_N;
+    if ( OpB == GridBLAS_OP_T ) hOpB = HIPBLAS_OP_T;
+    if ( OpB == GridBLAS_OP_C ) hOpB = HIPBLAS_OP_C;
+    auto err = hipblasDgemmBatched(gridblasHandle,
+				   HIPBLAS_OP_N,
+				   HIPBLAS_OP_N,
+				   m,n,k,
+				   (double *) &alpha_p[0],
+				   (double **)&Amk[0], lda,
+				   (double **)&Bkn[0], ldb,
+				   (double *) &beta_p[0],
+				   (double **)&Cmn[0], ldc,
+				   batchCount);
+    assert(err==HIPBLAS_STATUS_SUCCESS);
+#endif
+#ifdef GRID_CUDA
+    cublasOperation_t hOpA;
+    cublasOperation_t hOpB;
+    if ( OpA == GridBLAS_OP_N ) hOpA = CUBLAS_OP_N;
+    if ( OpA == GridBLAS_OP_T ) hOpA = CUBLAS_OP_T;
+    if ( OpA == GridBLAS_OP_C ) hOpA = CUBLAS_OP_C;
+    if ( OpB == GridBLAS_OP_N ) hOpB = CUBLAS_OP_N;
+    if ( OpB == GridBLAS_OP_T ) hOpB = CUBLAS_OP_T;
+    if ( OpB == GridBLAS_OP_C ) hOpB = CUBLAS_OP_C;
+    auto err = cublasDgemmBatched(gridblasHandle,
+				  hOpA,
+				  hOpB,
+				  m,n,k,
+				  (double *) &alpha_p[0],
+				  (double **)&Amk[0], lda,
+				  (double **)&Bkn[0], ldb,
+				  (double *) &beta_p[0],
+				  (double **)&Cmn[0], ldc,
+				  batchCount);
+    assert(err==CUBLAS_STATUS_SUCCESS);
+#endif
+#ifdef GRID_SYCL
+    /*
+      int64_t m64=m;
+      int64_t n64=n;
+      int64_t k64=k;
+      int64_t batchCount64=batchCount;
+      oneapi::mkl::blas::column_major::gemm_batch(*theGridAccelerator,
+      onemkl::transpose::N,
+      onemkl::transpose::N,
+      &m64,&n64,&k64,
+      (double *) &alpha_p[0],
+      (double **)&Amk[0], lda,
+      (double **)&Bkn[0], ldb,
+      (double *) &beta_p[0],
+      (double **)&Cmn[0], ldc,
+      1,&batchCount64);
+     */
+    //MKL’s cblas_<T>gemm_batch & OneAPI
+#warning "oneMKL implementation not built "
+#endif
+#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP)
+    int sda = lda*k;
+    int sdb = ldb*k;
+    int sdc = ldc*n;
+    // Need a default/reference implementation
+    for (int p = 0; p < batchCount; ++p) {
+      for (int mm = 0; mm < m; ++mm) {
+	for (int nn = 0; nn < n; ++nn) {
+	  RealD c_mn(0.0);
+	  for (int kk = 0; kk < k; ++kk)
+	    c_mn += Amk[p][mm + kk*lda ] * Bkn[p][kk + nn*ldb];
+	  Cmn[p][mm + nn*ldc] =  (alpha)*c_mn + (beta)*Cmn[p][mm + nn*ldc ];
+	}
+      }
+    }
+#endif
+     RealD t1=usecond();
+     RealD flops = 2.0*m*n*k*batchCount;
+     RealD bytes = 1.0*sizeof(RealD)*(m*k+k*n+m*n)*batchCount;
+  }
+  
+
+  
+  ////////////////////////////////////////////////////////////////////////////////////////////////
+  // Strided case used by benchmark, but generally unused in Grid
+  // Keep a code example in double complex, but don't generate the single and real variants for now
+  ////////////////////////////////////////////////////////////////////////////////////////////////
+  
+  void gemmStridedBatched(int m,int n, int k,
+			  ComplexD alpha,
+			  ComplexD* Amk,  // pointer list to matrices
+			  ComplexD* Bkn,
+			  ComplexD beta,
+			  ComplexD* Cmn,
+			  int batchCount)
+  {
+    // Use C-row major storage, so transpose calls
+    int lda = m; // m x k column major
+    int ldb = k; // k x n column major
+    int ldc = m; // m x b column major
+    int sda = m*k;
+    int sdb = k*n;
+    int sdc = m*n;
+    deviceVector<ComplexD> alpha_p(1);
+    deviceVector<ComplexD> beta_p(1);
+    acceleratorCopyToDevice((void *)&alpha,(void *)&alpha_p[0],sizeof(ComplexD));
+    acceleratorCopyToDevice((void *)&beta ,(void *)&beta_p[0],sizeof(ComplexD));
+
+    //    std::cout << "blasZgemmStridedBatched mnk  "<<m<<","<<n<<","<<k<<" count "<<batchCount<<std::endl;
+    //    std::cout << "blasZgemmStridedBatched ld   "<<lda<<","<<ldb<<","<<ldc<<std::endl;
+    //    std::cout << "blasZgemmStridedBatched sd   "<<sda<<","<<sdb<<","<<sdc<<std::endl;
+#ifdef GRID_HIP
+    auto err = hipblasZgemmStridedBatched(gridblasHandle,
+					  HIPBLAS_OP_N,
+					  HIPBLAS_OP_N,
+					  m,n,k,
+					  (hipblasDoubleComplex *) &alpha_p[0],
+					  (hipblasDoubleComplex *) Amk, lda, sda,
+					  (hipblasDoubleComplex *) Bkn, ldb, sdb,
+					  (hipblasDoubleComplex *) &beta_p[0],
+					  (hipblasDoubleComplex *) Cmn, ldc, sdc,
+					  batchCount);
+    assert(err==HIPBLAS_STATUS_SUCCESS);
+#endif
+#ifdef GRID_CUDA
+    cublasZgemmStridedBatched(gridblasHandle,
+			      CUBLAS_OP_N,
+			      CUBLAS_OP_N,
+			      m,n,k,
+			      (cuDoubleComplex *) &alpha_p[0],
+			      (cuDoubleComplex *) Amk, lda, sda,
+			      (cuDoubleComplex *) Bkn, ldb, sdb,
+			      (cuDoubleComplex *) &beta_p[0],
+			      (cuDoubleComplex *) Cmn, ldc, sdc,
+			      batchCount);
+#endif
+#if defined(GRID_SYCL) || defined(GRID_ONE_MKL)
+    oneapi::mkl::blas::column_major::gemm_batch(*gridblasHandle,
+						oneapi::mkl::transpose::N,
+						oneapi::mkl::transpose::N,
+						m,n,k,
+						alpha,
+						(const ComplexD *)Amk,lda,sda,
+						(const ComplexD *)Bkn,ldb,sdb,
+						beta,
+						(ComplexD *)Cmn,ldc,sdc,
+						batchCount);
+#endif
+#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP) && !defined(GRID_ONE_MKL)
+     // Need a default/reference implementation
+     for (int p = 0; p < batchCount; ++p) {
+       for (int mm = 0; mm < m; ++mm) {
+	 for (int nn = 0; nn < n; ++nn) {
+	   ComplexD c_mn(0.0);
+	   for (int kk = 0; kk < k; ++kk)
+	     c_mn += Amk[mm + kk*lda + p*sda] * Bkn[kk + nn*ldb + p*sdb];
+	   Cmn[mm + nn*ldc + p*sdc] =  (alpha)*c_mn + (beta)*Cmn[mm + nn*ldc + p*sdc];
+	 }
+       }
+     }
+#endif
+  }
+
+  double benchmark(int M, int N, int K, int BATCH)
+  {
+    int32_t N_A = M*K*BATCH;
+    int32_t N_B = K*N*BATCH;
+    int32_t N_C = M*N*BATCH;
+    deviceVector<ComplexD> A(N_A); acceleratorMemSet(&A[0],0,N_A*sizeof(ComplexD));
+    deviceVector<ComplexD> B(N_B); acceleratorMemSet(&B[0],0,N_B*sizeof(ComplexD));
+    deviceVector<ComplexD> C(N_C); acceleratorMemSet(&C[0],0,N_C*sizeof(ComplexD));
+    ComplexD alpha(1.0);
+    ComplexD beta (1.0);
+    RealD flops = 8.0*M*N*K*BATCH;
+    int ncall=10;
+    RealD t0 = usecond();
+    for(int i=0;i<ncall;i++){
+      gemmStridedBatched(M,N,K,
+			 alpha,
+			 &A[0], // m x k 
+			 &B[0], // k x n
+			 beta, 
+			 &C[0], // m x n
+			 BATCH);
+    }
+    synchronise();
+    RealD t1 = usecond();
+    RealD bytes = 1.0*sizeof(ComplexD)*(M*N*2+N*K+M*K)*BATCH;
+    flops = 8.0*M*N*K*BATCH*ncall;
+    flops = flops/(t1-t0)/1.e3;
+    return flops; // Returns gigaflops
+  }
+
+
+
+
+};
+
+NAMESPACE_END(Grid);

Grid/allocator/AlignedAllocator.h

@@ -176,6 +176,7 @@ template<class T> using cshiftAllocator = std::allocator<T>;
 template<class T> using Vector        = std::vector<T,uvmAllocator<T> >;           
 template<class T> using stencilVector = std::vector<T,alignedAllocator<T> >;           
 template<class T> using commVector = std::vector<T,devAllocator<T> >;
+template<class T> using deviceVector  = std::vector<T,devAllocator<T> >;
 template<class T> using cshiftVector = std::vector<T,cshiftAllocator<T> >;
 
 NAMESPACE_END(Grid);

Grid/cshift/Cshift_common.h

@@ -29,8 +29,27 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 NAMESPACE_BEGIN(Grid);
 
-extern Vector<std::pair<int,int> > Cshift_table; 
+extern std::vector<std::pair<int,int> > Cshift_table; 
+extern commVector<std::pair<int,int> > Cshift_table_device; 
 
+inline std::pair<int,int> *MapCshiftTable(void)
+{
+  // GPU version
+#ifdef ACCELERATOR_CSHIFT    
+  uint64_t sz=Cshift_table.size();
+  if (Cshift_table_device.size()!=sz )    {
+    Cshift_table_device.resize(sz);
+  }
+  acceleratorCopyToDevice((void *)&Cshift_table[0],
+			  (void *)&Cshift_table_device[0],
+			  sizeof(Cshift_table[0])*sz);
+
+  return &Cshift_table_device[0];
+#else 
+  return &Cshift_table[0];
+#endif
+  // CPU version use identify map
+}
 ///////////////////////////////////////////////////////////////////
 // Gather for when there is no need to SIMD split 
 ///////////////////////////////////////////////////////////////////
@@ -74,8 +93,8 @@ Gather_plane_simple (const Lattice<vobj> &rhs,cshiftVector<vobj> &buffer,int dim
   }
   {
     auto buffer_p = & buffer[0];
-    auto table = &Cshift_table[0];
-#ifdef ACCELERATOR_CSHIFT    
+    auto table = MapCshiftTable();
+#ifdef ACCELERATOR_CSHIFT
     autoView(rhs_v , rhs, AcceleratorRead);
     accelerator_for(i,ent,vobj::Nsimd(),{
 	coalescedWrite(buffer_p[table[i].first],coalescedRead(rhs_v[table[i].second]));
@@ -225,7 +244,7 @@ template<class vobj> void Scatter_plane_simple (Lattice<vobj> &rhs,cshiftVector<
   
   {
     auto buffer_p = & buffer[0];
-    auto table = &Cshift_table[0];
+    auto table = MapCshiftTable();
 #ifdef ACCELERATOR_CSHIFT    
     autoView( rhs_v, rhs, AcceleratorWrite);
     accelerator_for(i,ent,vobj::Nsimd(),{
@@ -297,30 +316,6 @@ template<class vobj> void Scatter_plane_merge(Lattice<vobj> &rhs,ExtractPointerA
   }
 }
 
-#if (defined(GRID_CUDA) || defined(GRID_HIP)) && defined(ACCELERATOR_CSHIFT)
-
-template <typename T>
-T iDivUp(T a, T b) // Round a / b to nearest higher integer value
-{ return (a % b != 0) ? (a / b + 1) : (a / b); }
-
-template <typename T>
-__global__ void populate_Cshift_table(T* vector, T lo, T ro, T e1, T e2, T stride)
-{
-    int idx = blockIdx.x*blockDim.x + threadIdx.x;
-    if (idx >= e1*e2) return;
-
-    int n, b, o;
-
-    n = idx / e2;
-    b = idx % e2;
-    o = n*stride + b;
-
-    vector[2*idx + 0] = lo + o;
-    vector[2*idx + 1] = ro + o;
-}
-
-#endif
-
 //////////////////////////////////////////////////////
 // local to node block strided copies
 //////////////////////////////////////////////////////
@@ -345,20 +340,12 @@ template<class vobj> void Copy_plane(Lattice<vobj>& lhs,const Lattice<vobj> &rhs
   int ent=0;
 
   if(cbmask == 0x3 ){
-#if (defined(GRID_CUDA) || defined(GRID_HIP)) && defined(ACCELERATOR_CSHIFT)
-    ent = e1*e2;
-    dim3 blockSize(acceleratorThreads());
-    dim3 gridSize(iDivUp((unsigned int)ent, blockSize.x));
-    populate_Cshift_table<<<gridSize, blockSize>>>(&Cshift_table[0].first, lo, ro, e1, e2, stride);
-    accelerator_barrier();
-#else
     for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
         int o =n*stride+b;
 	Cshift_table[ent++] = std::pair<int,int>(lo+o,ro+o);
       }
     }
-#endif
   } else { 
     for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
@@ -372,7 +359,7 @@ template<class vobj> void Copy_plane(Lattice<vobj>& lhs,const Lattice<vobj> &rhs
   }
 
   {
-    auto table = &Cshift_table[0];
+    auto table = MapCshiftTable();
 #ifdef ACCELERATOR_CSHIFT    
     autoView(rhs_v , rhs, AcceleratorRead);
     autoView(lhs_v , lhs, AcceleratorWrite);
@@ -409,19 +396,11 @@ template<class vobj> void Copy_plane_permute(Lattice<vobj>& lhs,const Lattice<vo
   int ent=0;
 
   if ( cbmask == 0x3 ) {
-#if (defined(GRID_CUDA) || defined(GRID_HIP)) && defined(ACCELERATOR_CSHIFT)
-    ent = e1*e2;
-    dim3 blockSize(acceleratorThreads());
-    dim3 gridSize(iDivUp((unsigned int)ent, blockSize.x));
-    populate_Cshift_table<<<gridSize, blockSize>>>(&Cshift_table[0].first, lo, ro, e1, e2, stride);
-    accelerator_barrier();
-#else
     for(int n=0;n<e1;n++){
     for(int b=0;b<e2;b++){
       int o  =n*stride;
       Cshift_table[ent++] = std::pair<int,int>(lo+o+b,ro+o+b);
     }}
-#endif
   } else {
     for(int n=0;n<e1;n++){
     for(int b=0;b<e2;b++){
@@ -432,7 +411,7 @@ template<class vobj> void Copy_plane_permute(Lattice<vobj>& lhs,const Lattice<vo
   }
 
   {
-    auto table = &Cshift_table[0];
+    auto table = MapCshiftTable();
 #ifdef ACCELERATOR_CSHIFT    
     autoView( rhs_v, rhs, AcceleratorRead);
     autoView( lhs_v, lhs, AcceleratorWrite);

Grid/cshift/Cshift_mpi.h

@@ -52,7 +52,8 @@ template<class vobj> Lattice<vobj> Cshift(const Lattice<vobj> &rhs,int dimension
   int comm_dim        = rhs.Grid()->_processors[dimension] >1 ;
   int splice_dim      = rhs.Grid()->_simd_layout[dimension]>1 && (comm_dim);
 
-
+  RealD t1,t0;
+  t0=usecond();
   if ( !comm_dim ) {
     //std::cout << "CSHIFT: Cshift_local" <<std::endl;
     Cshift_local(ret,rhs,dimension,shift); // Handles checkerboarding
@@ -63,6 +64,8 @@ template<class vobj> Lattice<vobj> Cshift(const Lattice<vobj> &rhs,int dimension
     //std::cout << "CSHIFT: Cshift_comms" <<std::endl;
     Cshift_comms(ret,rhs,dimension,shift);
   }
+  t1=usecond();
+  //  std::cout << GridLogPerformance << "Cshift took "<< (t1-t0)/1e3 << " ms"<<std::endl;
   return ret;
 }
 
@@ -127,16 +130,20 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
     
   int cb= (cbmask==0x2)? Odd : Even;
   int sshift= rhs.Grid()->CheckerBoardShiftForCB(rhs.Checkerboard(),dimension,shift,cb);
-
+  RealD tcopy=0.0;
+  RealD tgather=0.0;
+  RealD tscatter=0.0;
+  RealD tcomms=0.0;
+  uint64_t xbytes=0;
   for(int x=0;x<rd;x++){       
 
     int sx        =  (x+sshift)%rd;
     int comm_proc = ((x+sshift)/rd)%pd;
     
     if (comm_proc==0) {
-
+      tcopy-=usecond();
       Copy_plane(ret,rhs,dimension,x,sx,cbmask); 
-
+      tcopy+=usecond();
     } else {
 
       int words = buffer_size;
@@ -144,26 +151,39 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
 
       int bytes = words * sizeof(vobj);
 
+      tgather-=usecond();
       Gather_plane_simple (rhs,send_buf,dimension,sx,cbmask);
+      tgather+=usecond();
 
       //      int rank           = grid->_processor;
       int recv_from_rank;
       int xmit_to_rank;
       grid->ShiftedRanks(dimension,comm_proc,xmit_to_rank,recv_from_rank);
-
-      grid->Barrier();
+      
+      tcomms-=usecond();
+      //      grid->Barrier();
 
       grid->SendToRecvFrom((void *)&send_buf[0],
 			   xmit_to_rank,
 			   (void *)&recv_buf[0],
 			   recv_from_rank,
 			   bytes);
+      xbytes+=bytes;
+      //      grid->Barrier();
+      tcomms+=usecond();
 
-      grid->Barrier();
-
+      tscatter-=usecond();
       Scatter_plane_simple (ret,recv_buf,dimension,x,cbmask);
+      tscatter+=usecond();
     }
   }
+  /*
+  std::cout << GridLogPerformance << " Cshift copy    "<<tcopy/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift gather  "<<tgather/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift scatter "<<tscatter/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift comm    "<<tcomms/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift BW      "<<(2.0*xbytes)/tcomms<<" MB/s "<<2*xbytes<< " Bytes "<<std::endl;
+  */
 }
 
 template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
@@ -190,6 +210,12 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
   assert(shift>=0);
   assert(shift<fd);
 
+  RealD tcopy=0.0;
+  RealD tgather=0.0;
+  RealD tscatter=0.0;
+  RealD tcomms=0.0;
+  uint64_t xbytes=0;
+  
   int permute_type=grid->PermuteType(dimension);
 
   ///////////////////////////////////////////////
@@ -227,7 +253,9 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
       pointers[i] = &send_buf_extract[i][0];
     }
     int sx   = (x+sshift)%rd;
+    tgather-=usecond();
     Gather_plane_extract(rhs,pointers,dimension,sx,cbmask);
+    tgather+=usecond();
 
     for(int i=0;i<Nsimd;i++){
       
@@ -252,7 +280,8 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
       if(nbr_proc){
 	grid->ShiftedRanks(dimension,nbr_proc,xmit_to_rank,recv_from_rank); 
 
-	grid->Barrier();
+	tcomms-=usecond();
+	//	grid->Barrier();
 
 	send_buf_extract_mpi = &send_buf_extract[nbr_lane][0];
 	recv_buf_extract_mpi = &recv_buf_extract[i][0];
@@ -262,7 +291,9 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
 			     recv_from_rank,
 			     bytes);
 
-	grid->Barrier();
+	xbytes+=bytes;
+	//	grid->Barrier();
+	tcomms+=usecond();
 
 	rpointers[i] = &recv_buf_extract[i][0];
       } else { 
@@ -270,9 +301,17 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
       }
 
     }
+    tscatter-=usecond();
     Scatter_plane_merge(ret,rpointers,dimension,x,cbmask);
+    tscatter+=usecond();
   }
-
+  /*
+  std::cout << GridLogPerformance << " Cshift (s) copy    "<<tcopy/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift (s) gather  "<<tgather/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift (s) scatter "<<tscatter/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift (s) comm    "<<tcomms/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift BW      "<<(2.0*xbytes)/tcomms<<" MB/s "<<2*xbytes<< " Bytes "<<std::endl;
+  */
 }
 #else 
 template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
@@ -292,6 +331,11 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
   assert(comm_dim==1);
   assert(shift>=0);
   assert(shift<fd);
+  RealD tcopy=0.0;
+  RealD tgather=0.0;
+  RealD tscatter=0.0;
+  RealD tcomms=0.0;
+  uint64_t xbytes=0;
   
   int buffer_size = rhs.Grid()->_slice_nblock[dimension]*rhs.Grid()->_slice_block[dimension];
   static cshiftVector<vobj> send_buf_v; send_buf_v.resize(buffer_size);
@@ -315,7 +359,9 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
     
     if (comm_proc==0) {
 
+      tcopy-=usecond();
       Copy_plane(ret,rhs,dimension,x,sx,cbmask); 
+      tcopy+=usecond();
 
     } else {
 
@@ -324,7 +370,9 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
 
       int bytes = words * sizeof(vobj);
 
+      tgather-=usecond();
       Gather_plane_simple (rhs,send_buf_v,dimension,sx,cbmask);
+      tgather+=usecond();
 
       //      int rank           = grid->_processor;
       int recv_from_rank;
@@ -332,7 +380,8 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
       grid->ShiftedRanks(dimension,comm_proc,xmit_to_rank,recv_from_rank);
 
 
-      grid->Barrier();
+      tcomms-=usecond();
+      //      grid->Barrier();
 
       acceleratorCopyDeviceToDevice((void *)&send_buf_v[0],(void *)&send_buf[0],bytes);
       grid->SendToRecvFrom((void *)&send_buf[0],
@@ -340,13 +389,24 @@ template<class vobj> void Cshift_comms(Lattice<vobj> &ret,const Lattice<vobj> &r
 			   (void *)&recv_buf[0],
 			   recv_from_rank,
 			   bytes);
+      xbytes+=bytes;
       acceleratorCopyDeviceToDevice((void *)&recv_buf[0],(void *)&recv_buf_v[0],bytes);
 
-      grid->Barrier();
+      //      grid->Barrier();
+      tcomms+=usecond();
 
+      tscatter-=usecond();
       Scatter_plane_simple (ret,recv_buf_v,dimension,x,cbmask);
+      tscatter+=usecond();
     }
   }
+  /*
+  std::cout << GridLogPerformance << " Cshift copy    "<<tcopy/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift gather  "<<tgather/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift scatter "<<tscatter/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift comm    "<<tcomms/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift BW      "<<(2.0*xbytes)/tcomms<<" MB/s "<<2*xbytes<< " Bytes "<<std::endl;
+  */
 }
 
 template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
@@ -372,6 +432,11 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
   assert(simd_layout==2);
   assert(shift>=0);
   assert(shift<fd);
+  RealD tcopy=0.0;
+  RealD tgather=0.0;
+  RealD tscatter=0.0;
+  RealD tcomms=0.0;
+  uint64_t xbytes=0;
 
   int permute_type=grid->PermuteType(dimension);
 
@@ -414,8 +479,10 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
     for(int i=0;i<Nsimd;i++){       
       pointers[i] = &send_buf_extract[i][0];
     }
+    tgather-=usecond();
     int sx   = (x+sshift)%rd;
     Gather_plane_extract(rhs,pointers,dimension,sx,cbmask);
+    tgather+=usecond();
 
     for(int i=0;i<Nsimd;i++){
       
@@ -440,7 +507,8 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
       if(nbr_proc){
 	grid->ShiftedRanks(dimension,nbr_proc,xmit_to_rank,recv_from_rank); 
 
-	grid->Barrier();
+	tcomms-=usecond();
+	//	grid->Barrier();
 
 	acceleratorCopyDeviceToDevice((void *)&send_buf_extract[nbr_lane][0],(void *)send_buf_extract_mpi,bytes);
 	grid->SendToRecvFrom((void *)send_buf_extract_mpi,
@@ -449,17 +517,28 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
 			     recv_from_rank,
 			     bytes);
 	acceleratorCopyDeviceToDevice((void *)recv_buf_extract_mpi,(void *)&recv_buf_extract[i][0],bytes);
+	xbytes+=bytes;
 
-	grid->Barrier();
+	//	grid->Barrier();
+	tcomms+=usecond();
 	rpointers[i] = &recv_buf_extract[i][0];
       } else { 
 	rpointers[i] = &send_buf_extract[nbr_lane][0];
       }
 
     }
+    tscatter-=usecond();
     Scatter_plane_merge(ret,rpointers,dimension,x,cbmask);
-  }
+    tscatter+=usecond();
 
+  }
+  /*
+  std::cout << GridLogPerformance << " Cshift (s) copy    "<<tcopy/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift (s) gather  "<<tgather/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift (s) scatter "<<tscatter/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift (s) comm    "<<tcomms/1e3<<" ms"<<std::endl;
+  std::cout << GridLogPerformance << " Cshift BW      "<<(2.0*xbytes)/tcomms<<" MB/s"<<std::endl;
+  */
 }
 #endif
 NAMESPACE_END(Grid); 

Grid/cshift/Cshift_table.cc

@@ -1,4 +1,5 @@
 #include <Grid/GridCore.h>       
 NAMESPACE_BEGIN(Grid);
-Vector<std::pair<int,int> > Cshift_table; 
+std::vector<std::pair<int,int> > Cshift_table; 
+commVector<std::pair<int,int> > Cshift_table_device; 
 NAMESPACE_END(Grid);

Grid/lattice/Lattice.h

@@ -35,6 +35,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/lattice/Lattice_transpose.h>
 #include <Grid/lattice/Lattice_local.h>
 #include <Grid/lattice/Lattice_reduction.h>
+#include <Grid/lattice/Lattice_crc.h>
 #include <Grid/lattice/Lattice_peekpoke.h>
 #include <Grid/lattice/Lattice_reality.h>
 #include <Grid/lattice/Lattice_real_imag.h>
@@ -46,5 +47,4 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/lattice/Lattice_unary.h>
 #include <Grid/lattice/Lattice_transfer.h>
 #include <Grid/lattice/Lattice_basis.h>
-#include <Grid/lattice/Lattice_crc.h>
 #include <Grid/lattice/PaddedCell.h>

Grid/lattice/Lattice_arith.h

@@ -270,5 +270,42 @@ RealD axpby_norm(Lattice<vobj> &ret,sobj a,sobj b,const Lattice<vobj> &x,const L
     return axpby_norm_fast(ret,a,b,x,y);
 }
 
+/// Trace product
+template<class obj> auto traceProduct(const Lattice<obj> &rhs_1,const Lattice<obj> &rhs_2)
+  -> Lattice<decltype(trace(obj()))>
+{
+  typedef decltype(trace(obj())) robj;
+  Lattice<robj> ret_i(rhs_1.Grid());
+  autoView( rhs1 , rhs_1, AcceleratorRead);
+  autoView( rhs2 , rhs_2, AcceleratorRead);
+  autoView( ret , ret_i, AcceleratorWrite);
+  ret.Checkerboard() = rhs_1.Checkerboard();
+  accelerator_for(ss,rhs1.size(),obj::Nsimd(),{
+      coalescedWrite(ret[ss],traceProduct(rhs1(ss),rhs2(ss)));
+  });
+  return ret_i;
+}
+
+template<class obj1,class obj2> auto traceProduct(const Lattice<obj1> &rhs_1,const obj2 &rhs2)
+  -> Lattice<decltype(trace(obj1()))>
+{
+  typedef decltype(trace(obj1())) robj;
+  Lattice<robj> ret_i(rhs_1.Grid());
+  autoView( rhs1 , rhs_1, AcceleratorRead);
+  autoView( ret , ret_i, AcceleratorWrite);
+  ret.Checkerboard() = rhs_1.Checkerboard();
+  accelerator_for(ss,rhs1.size(),obj1::Nsimd(),{
+      coalescedWrite(ret[ss],traceProduct(rhs1(ss),rhs2));
+  });
+  return ret_i;
+}
+template<class obj1,class obj2> auto traceProduct(const obj2 &rhs_2,const Lattice<obj1> &rhs_1)
+  -> Lattice<decltype(trace(obj1()))>
+{
+  return traceProduct(rhs_1,rhs_2);
+}
+
+
+
 NAMESPACE_END(Grid);
 #endif

Grid/lattice/Lattice_basis.h

@@ -62,7 +62,7 @@ void basisRotate(VField &basis,Matrix& Qt,int j0, int j1, int k0,int k1,int Nm)
     basis_v.push_back(basis[k].View(AcceleratorWrite));
   }
 
-#if ( (!defined(GRID_CUDA)) )
+#if ( !(defined(GRID_CUDA) || defined(GRID_HIP) || defined(GRID_SYCL)) )
   int max_threads = thread_max();
   Vector < vobj > Bt(Nm * max_threads);
   thread_region

Grid/lattice/Lattice_crc.h

@@ -42,13 +42,13 @@ template<class vobj> void DumpSliceNorm(std::string s,Lattice<vobj> &f,int mu=-1
   }
 }
 
-template<class vobj> uint32_t crc(Lattice<vobj> & buf)
+template<class vobj> uint32_t crc(const Lattice<vobj> & buf)
 {
   autoView( buf_v , buf, CpuRead);
   return ::crc32(0L,(unsigned char *)&buf_v[0],(size_t)sizeof(vobj)*buf.oSites());
 }
 
-#define CRC(U) std::cout << "FingerPrint "<<__FILE__ <<" "<< __LINE__ <<" "<< #U <<" "<<crc(U)<<std::endl;
+#define CRC(U) std::cerr << "FingerPrint "<<__FILE__ <<" "<< __LINE__ <<" "<< #U <<" "<<crc(U)<<std::endl;
 
 NAMESPACE_END(Grid);
 

Grid/lattice/Lattice_reduction.h

@@ -31,6 +31,7 @@ Author: Christoph Lehner <christoph@lhnr.de>
 #if defined(GRID_SYCL)
 #include <Grid/lattice/Lattice_reduction_sycl.h>
 #endif
+#include <Grid/lattice/Lattice_slicesum_core.h>
 
 NAMESPACE_BEGIN(Grid);
 
@@ -280,11 +281,17 @@ inline ComplexD rankInnerProduct(const Lattice<vobj> &left,const Lattice<vobj> &
   return nrm;
 }
 
+
 template<class vobj>
 inline ComplexD innerProduct(const Lattice<vobj> &left,const Lattice<vobj> &right) {
   GridBase *grid = left.Grid();
+  uint32_t csum=0;
+  //  Uint32Checksum(left,csum);
   ComplexD nrm = rankInnerProduct(left,right);
+  RealD local = real(nrm);
+  GridNormLog(real(nrm),csum); // Could log before and after global sum to distinguish local and MPI
   grid->GlobalSum(nrm);
+  GridMPINormLog(local,real(nrm)); 
   return nrm;
 }
 
@@ -448,19 +455,10 @@ template<class vobj> inline void sliceSum(const Lattice<vobj> &Data,std::vector<
   int e1=    grid->_slice_nblock[orthogdim];
   int e2=    grid->_slice_block [orthogdim];
   int stride=grid->_slice_stride[orthogdim];
-
-  // sum over reduced dimension planes, breaking out orthog dir
-  // Parallel over orthog direction
-  autoView( Data_v, Data, CpuRead);
-  thread_for( r,rd, {
-    int so=r*grid->_ostride[orthogdim]; // base offset for start of plane 
-    for(int n=0;n<e1;n++){
-      for(int b=0;b<e2;b++){
-	int ss= so+n*stride+b;
-	lvSum[r]=lvSum[r]+Data_v[ss];
-      }
-    }
-  });
+  int ostride=grid->_ostride[orthogdim];
+  
+  //Reduce Data down to lvSum
+  sliceSumReduction(Data,lvSum,rd, e1,e2,stride,ostride,Nsimd);
 
   // Sum across simd lanes in the plane, breaking out orthog dir.
   Coordinate icoor(Nd);
@@ -504,6 +502,7 @@ sliceSum(const Lattice<vobj> &Data,int orthogdim)
   return result;
 }
 
+
 template<class vobj>
 static void sliceInnerProductVector( std::vector<ComplexD> & result, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int orthogdim) 
 {

Grid/lattice/Lattice_reduction_gpu.h

@@ -30,7 +30,7 @@ int getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator &
   cudaGetDevice(&device);
 #endif
 #ifdef GRID_HIP
-  hipGetDevice(&device);
+  auto r=hipGetDevice(&device);
 #endif
   
   Iterator warpSize            = gpu_props[device].warpSize;

Grid/lattice/Lattice_rng.h

@@ -152,6 +152,7 @@ public:
 #ifdef RNG_FAST_DISCARD
   static void Skip(RngEngine &eng,uint64_t site)
   {
+#if 0
     /////////////////////////////////////////////////////////////////////////////////////
     // Skip by 2^40 elements between successive lattice sites
     // This goes by 10^12.
@@ -162,9 +163,9 @@ public:
     // 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
-      //
+    //
+    // 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;
@@ -179,6 +180,9 @@ public:
     assert((skip >> shift)==site); // check for overflow
 
     eng.discard(skip);
+#else
+    eng.discardhi(site);
+#endif
     //      std::cout << " Engine  " <<site << " state " <<eng<<std::endl;
   } 
 #endif
@@ -407,7 +411,7 @@ public:
       std::cout << GridLogMessage << "Seed SHA256: " << GridChecksum::sha256_string(seeds) << std::endl;
       SeedFixedIntegers(seeds);
     }
-  void SeedFixedIntegers(const std::vector<int> &seeds){
+  void SeedFixedIntegers(const std::vector<int> &seeds, int britney=0){
 
     // Everyone generates the same seed_seq based on input seeds
     CartesianCommunicator::BroadcastWorld(0,(void *)&seeds[0],sizeof(int)*seeds.size());
@@ -424,7 +428,6 @@ public:
     // MT implementation does not implement fast discard even though
     // in principle this is possible
     ////////////////////////////////////////////////
-#if 1
     thread_for( lidx, _grid->lSites(), {
 
 	int gidx;
@@ -445,29 +448,12 @@ public:
 	
 	int l_idx=generator_idx(o_idx,i_idx);
 	_generators[l_idx] = master_engine;
-	Skip(_generators[l_idx],gidx); // Skip to next RNG sequence
-    });
-#else
-    // Everybody loops over global volume.
-    thread_for( gidx, _grid->_gsites, {
-
-	// Where is it?
-	int rank;
-	int o_idx;
-	int i_idx;
-
-	Coordinate gcoor;
-	_grid->GlobalIndexToGlobalCoor(gidx,gcoor);
-	_grid->GlobalCoorToRankIndex(rank,o_idx,i_idx,gcoor);
-	
-	// If this is one of mine we take it
-	if( rank == _grid->ThisRank() ){
-	  int l_idx=generator_idx(o_idx,i_idx);
-	  _generators[l_idx] = master_engine;
+	if ( britney ) { 
+	  Skip(_generators[l_idx],l_idx); // Skip to next RNG sequence
+	} else { 	
 	  Skip(_generators[l_idx],gidx); // Skip to next RNG sequence
 	}
     });
-#endif
 #else 
     ////////////////////////////////////////////////////////////////
     // Machine and thread decomposition dependent seeding is efficient

Grid/lattice/Lattice_slicesum_core.h

@@ -0,0 +1,213 @@
+#pragma once
+#include <type_traits>
+#if defined(GRID_CUDA)
+
+#include <cub/cub.cuh>
+#define gpucub cub
+#define gpuError_t cudaError_t
+#define gpuSuccess cudaSuccess
+
+#elif defined(GRID_HIP)
+
+#include <hipcub/hipcub.hpp>
+#define gpucub hipcub
+#define gpuError_t hipError_t
+#define gpuSuccess hipSuccess
+
+#endif
+
+
+NAMESPACE_BEGIN(Grid);
+
+
+#if defined(GRID_CUDA) || defined(GRID_HIP)
+template<class vobj> inline void sliceSumReduction_cub_small(const vobj *Data, Vector<vobj> &lvSum, const int rd, const int e1, const int e2, const int stride, const int ostride, const int Nsimd) {
+  size_t subvol_size = e1*e2;
+  commVector<vobj> reduction_buffer(rd*subvol_size);
+  auto rb_p = &reduction_buffer[0];
+  vobj zero_init;
+  zeroit(zero_init);
+
+  
+  void *temp_storage_array = NULL;
+  size_t temp_storage_bytes = 0;
+  vobj *d_out;
+  int* d_offsets;
+
+  std::vector<int> offsets(rd+1,0);
+
+  for (int i = 0; i < offsets.size(); i++) {
+    offsets[i] = i*subvol_size;
+  }
+  
+  //Allocate memory for output and offset arrays on device
+  d_out = static_cast<vobj*>(acceleratorAllocDevice(rd*sizeof(vobj)));
+  
+  d_offsets = static_cast<int*>(acceleratorAllocDevice((rd+1)*sizeof(int)));
+  
+  //copy offsets to device
+  acceleratorCopyToDeviceAsync(&offsets[0],d_offsets,sizeof(int)*(rd+1),computeStream);
+  
+  
+  gpuError_t gpuErr = gpucub::DeviceSegmentedReduce::Reduce(temp_storage_array, temp_storage_bytes, rb_p,d_out, rd, d_offsets, d_offsets+1, ::gpucub::Sum(), zero_init, computeStream);
+  if (gpuErr!=gpuSuccess) {
+    std::cout << GridLogError << "Lattice_slicesum_gpu.h: Encountered error during gpucub::DeviceSegmentedReduce::Reduce (setup)! Error: " << gpuErr <<std::endl;
+    exit(EXIT_FAILURE);
+  }
+
+  //allocate memory for temp_storage_array  
+  temp_storage_array = acceleratorAllocDevice(temp_storage_bytes);
+  
+  //prepare buffer for reduction
+  //use non-blocking accelerator_for to avoid syncs (ok because we submit to same computeStream)
+  //use 2d accelerator_for to avoid launch latencies found when serially looping over rd 
+  accelerator_for2dNB( s,subvol_size, r,rd, Nsimd,{ 
+  
+    int n = s / e2;
+    int b = s % e2;
+    int so=r*ostride; // base offset for start of plane 
+    int ss= so+n*stride+b;
+
+    coalescedWrite(rb_p[r*subvol_size+s], coalescedRead(Data[ss]));
+
+  });
+  
+  //issue segmented reductions in computeStream
+  gpuErr = gpucub::DeviceSegmentedReduce::Reduce(temp_storage_array, temp_storage_bytes, rb_p, d_out, rd, d_offsets, d_offsets+1,::gpucub::Sum(), zero_init, computeStream);
+  if (gpuErr!=gpuSuccess) {
+    std::cout << GridLogError << "Lattice_slicesum_gpu.h: Encountered error during gpucub::DeviceSegmentedReduce::Reduce! Error: " << gpuErr <<std::endl;
+    exit(EXIT_FAILURE);
+  }
+  
+  acceleratorCopyFromDeviceAsync(d_out,&lvSum[0],rd*sizeof(vobj),computeStream);
+  
+  //sync after copy
+  accelerator_barrier();
+ 
+  acceleratorFreeDevice(temp_storage_array);
+  acceleratorFreeDevice(d_out);
+  acceleratorFreeDevice(d_offsets);
+  
+
+}
+
+template<class vobj> inline void sliceSumReduction_cub_large(const vobj *Data, Vector<vobj> &lvSum, const int rd, const int e1, const int e2, const int stride, const int ostride, const int Nsimd) {
+  typedef typename vobj::vector_type vector;
+  const int words = sizeof(vobj)/sizeof(vector);
+  const int osites = rd*e1*e2;
+  commVector<vector>buffer(osites);
+  vector *dat = (vector *)Data;
+  vector *buf = &buffer[0];
+  Vector<vector> lvSum_small(rd);
+  vector *lvSum_ptr = (vector *)&lvSum[0];
+
+  for (int w = 0; w < words; w++) {
+    accelerator_for(ss,osites,1,{
+	    buf[ss] = dat[ss*words+w];
+    });
+
+    sliceSumReduction_cub_small(buf,lvSum_small,rd,e1,e2,stride, ostride,Nsimd);
+      
+    for (int r = 0; r < rd; r++) {
+      lvSum_ptr[w+words*r]=lvSum_small[r];
+    }
+
+  }
+
+  
+}
+
+template<class vobj> inline void sliceSumReduction_cub(const Lattice<vobj> &Data, Vector<vobj> &lvSum, const int rd, const int e1, const int e2, const int stride, const int ostride, const int Nsimd)
+{
+  autoView(Data_v, Data, AcceleratorRead); //hipcub/cub cannot deal with large vobjs so we split into small/large case.
+    if constexpr (sizeof(vobj) <= 256) { 
+      sliceSumReduction_cub_small(&Data_v[0], lvSum, rd, e1, e2, stride, ostride, Nsimd);
+    }
+    else {
+      sliceSumReduction_cub_large(&Data_v[0], lvSum, rd, e1, e2, stride, ostride, Nsimd);
+    }
+}
+#endif
+
+
+#if defined(GRID_SYCL)
+template<class vobj> inline void sliceSumReduction_sycl(const Lattice<vobj> &Data, Vector <vobj> &lvSum, const int  &rd, const int &e1, const int &e2, const int &stride, const int &ostride, const int &Nsimd)
+{
+  typedef typename vobj::scalar_object sobj;
+  size_t subvol_size = e1*e2;
+
+  vobj *mysum = (vobj *) malloc_shared(sizeof(vobj),*theGridAccelerator);
+  vobj vobj_zero;
+  zeroit(vobj_zero);
+    
+  commVector<vobj> reduction_buffer(rd*subvol_size);    
+
+  auto rb_p = &reduction_buffer[0];
+
+  autoView(Data_v, Data, AcceleratorRead);
+
+  //prepare reduction buffer 
+  accelerator_for2d( s,subvol_size, r,rd, (size_t)Nsimd,{ 
+  
+      int n = s / e2;
+      int b = s % e2;
+      int so=r*ostride; // base offset for start of plane 
+      int ss= so+n*stride+b;
+
+      coalescedWrite(rb_p[r*subvol_size+s], coalescedRead(Data_v[ss]));
+
+  });
+
+  for (int r = 0; r < rd; r++) {
+      mysum[0] = vobj_zero; //dirty hack: cannot pass vobj_zero as identity to sycl::reduction as its not device_copyable
+      theGridAccelerator->submit([&](cl::sycl::handler &cgh) {
+          auto Reduction = cl::sycl::reduction(mysum,std::plus<>());
+          cgh.parallel_for(cl::sycl::range<1>{subvol_size},
+          Reduction,
+          [=](cl::sycl::id<1> item, auto &sum) {
+              auto s = item[0];
+              sum += rb_p[r*subvol_size+s];
+          });
+      });
+      theGridAccelerator->wait();
+      lvSum[r] = mysum[0];
+  }
+  
+  free(mysum,*theGridAccelerator);
+}
+#endif
+
+template<class vobj> inline void sliceSumReduction_cpu(const Lattice<vobj> &Data, Vector<vobj> &lvSum, const int &rd, const int &e1, const int &e2, const int &stride, const int &ostride, const int &Nsimd)
+{
+  // sum over reduced dimension planes, breaking out orthog dir
+  // Parallel over orthog direction
+  autoView( Data_v, Data, CpuRead);
+  thread_for( r,rd, {
+    int so=r*ostride; // base offset for start of plane 
+    for(int n=0;n<e1;n++){
+      for(int b=0;b<e2;b++){
+        int ss= so+n*stride+b;
+        lvSum[r]=lvSum[r]+Data_v[ss];
+      }
+    }
+  });
+}
+
+template<class vobj> inline void sliceSumReduction(const Lattice<vobj> &Data, Vector<vobj> &lvSum, const int &rd, const int &e1, const int &e2, const int &stride, const int &ostride, const int &Nsimd) 
+{
+  #if defined(GRID_CUDA) || defined(GRID_HIP)
+  
+  sliceSumReduction_cub(Data, lvSum, rd, e1, e2, stride, ostride, Nsimd);
+  
+  #elif defined(GRID_SYCL)
+  
+  sliceSumReduction_sycl(Data, lvSum, rd, e1, e2, stride, ostride, Nsimd);
+  
+  #else
+  sliceSumReduction_cpu(Data, lvSum, rd, e1, e2, stride, ostride, Nsimd);
+
+  #endif
+}
+
+
+NAMESPACE_END(Grid);

Grid/lattice/Lattice_transfer.h

@@ -469,15 +469,13 @@ inline void blockSum(Lattice<vobj> &coarseData,const Lattice<vobj> &fineData)
   Coordinate fine_rdimensions = fine->_rdimensions;
   Coordinate coarse_rdimensions = coarse->_rdimensions;
 
-  vobj zz = Zero();
-  
   accelerator_for(sc,coarse->oSites(),1,{
 
       // One thread per sub block
       Coordinate coor_c(_ndimension);
       Lexicographic::CoorFromIndex(coor_c,sc,coarse_rdimensions);  // Block coordinate
 
-      vobj cd = zz;
+      vobj cd = Zero();
       
       for(int sb=0;sb<blockVol;sb++){
 

Grid/lattice/Lattice_view.h

@@ -45,6 +45,7 @@ public:
   };
   // Host only
   GridBase * getGrid(void) const { return _grid; };
+  vobj* getHostPointer(void) const { return _odata; };
 };
 
 /////////////////////////////////////////////////////////////////////////////////////////

Grid/log/Log.h

@@ -179,11 +179,11 @@ extern GridLogger GridLogSolver;
 extern GridLogger GridLogError;
 extern GridLogger GridLogWarning;
 extern GridLogger GridLogMessage;
-extern GridLogger GridLogDebug  ;
+extern GridLogger GridLogDebug;
 extern GridLogger GridLogPerformance;
 extern GridLogger GridLogDslash;
-extern GridLogger GridLogIterative  ;
-extern GridLogger GridLogIntegrator  ;
+extern GridLogger GridLogIterative;
+extern GridLogger GridLogIntegrator;
 extern GridLogger GridLogHMC;
 extern GridLogger GridLogMemory;
 extern GridLogger GridLogTracing;
@@ -191,6 +191,41 @@ extern Colours    GridLogColours;
 
 std::string demangle(const char* name) ;
 
+template<typename... Args>
+inline std::string sjoin(Args&&... args) noexcept {
+    std::ostringstream msg;
+    (msg << ... << args);
+    return msg.str();
+}
+
+/*!  @brief make log messages work like python print */
+template <typename... Args>
+inline void Grid_log(Args&&... args) {
+    std::string msg = sjoin(std::forward<Args>(args)...);
+    std::cout << GridLogMessage << msg << std::endl;
+}
+
+/*!  @brief make warning messages work like python print */
+template <typename... Args>
+inline void Grid_warn(Args&&... args) {
+    std::string msg = sjoin(std::forward<Args>(args)...);
+    std::cout << "\033[33m" << GridLogWarning << msg << "\033[0m" << std::endl;
+}
+
+/*!  @brief make error messages work like python print */
+template <typename... Args>
+inline void Grid_error(Args&&... args) {
+    std::string msg = sjoin(std::forward<Args>(args)...);
+    std::cout << "\033[31m" << GridLogError << msg << "\033[0m" << std::endl;
+}
+
+/*!  @brief make pass messages work like python print */
+template <typename... Args>
+inline void Grid_pass(Args&&... args) {
+    std::string msg = sjoin(std::forward<Args>(args)...);
+    std::cout << "\033[32m" << GridLogMessage << msg << "\033[0m" << std::endl;
+}
+
 #define _NBACKTRACE (256)
 extern void * Grid_backtrace_buffer[_NBACKTRACE];
 

Grid/perfmon/Tracing.h

@@ -34,7 +34,7 @@ class GridTracer {
 };
 inline void tracePush(const char *name) { roctxRangePushA(name); }
 inline void tracePop(const char *name) { roctxRangePop(); }
-inline int  traceStart(const char *name) { roctxRangeStart(name); }
+inline int  traceStart(const char *name) { return roctxRangeStart(name); }
 inline void traceStop(int ID) { roctxRangeStop(ID); }
 #endif
 

Grid/qcd/action/ActionBase.h

@@ -129,6 +129,22 @@ public:
   virtual ~Action(){}
 };
 
+template <class GaugeField >
+class EmptyAction : public Action <GaugeField>
+{
+  virtual void refresh(const GaugeField& U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) { assert(0);}; // refresh pseudofermions
+  virtual RealD S(const GaugeField& U) { return 0.0;};                             // evaluate the action
+  virtual void deriv(const GaugeField& U, GaugeField& dSdU) { assert(0); };        // evaluate the action derivative
+
+  ///////////////////////////////
+  // Logging
+  ///////////////////////////////
+  virtual std::string action_name()    { return std::string("Level Force Log"); };
+  virtual std::string LogParameters()  { return std::string("No parameters");};
+};
+
+
+
 NAMESPACE_END(Grid);
 
 #endif // ACTION_BASE_H

Grid/qcd/action/fermion/WilsonTMFermion.h

@@ -63,7 +63,9 @@ public:
   virtual void MooeeDag(const FermionField &in, FermionField &out) ;
   virtual void MooeeInv(const FermionField &in, FermionField &out) ;
   virtual void MooeeInvDag(const FermionField &in, FermionField &out) ;
-
+  virtual void M(const FermionField &in, FermionField &out) ;
+  virtual void Mdag(const FermionField &in, FermionField &out) ;
+  
 private:
   RealD mu; // TwistedMass parameter
 

Grid/qcd/action/fermion/implementation/StaggeredKernelsImplementation.h

@@ -280,20 +280,16 @@ void StaggeredKernels<Impl>::DhopImproved(StencilImpl &st, LebesgueOrder &lo,
 
   if( interior && exterior ) { 
     if (Opt == OptGeneric    ) { KERNEL_CALL(DhopSiteGeneric,1); return;}
-#ifndef GRID_CUDA
     if (Opt == OptHandUnroll ) { KERNEL_CALL(DhopSiteHand,1);    return;}
+#ifndef GRID_CUDA
     if (Opt == OptInlineAsm  ) {  ASM_CALL(DhopSiteAsm);     return;}
 #endif
   } else if( interior ) {
     if (Opt == OptGeneric    ) { KERNEL_CALL(DhopSiteGenericInt,1); return;}
-#ifndef GRID_CUDA
     if (Opt == OptHandUnroll ) { KERNEL_CALL(DhopSiteHandInt,1);    return;}
-#endif
   } else if( exterior ) { 
     if (Opt == OptGeneric    ) { KERNEL_CALL(DhopSiteGenericExt,1); return;}
-#ifndef GRID_CUDA
     if (Opt == OptHandUnroll ) { KERNEL_CALL(DhopSiteHandExt,1);    return;}
-#endif
   }
   assert(0 && " Kernel optimisation case not covered ");
 }
@@ -322,19 +318,13 @@ void StaggeredKernels<Impl>::DhopNaive(StencilImpl &st, LebesgueOrder &lo,
   
   if( interior && exterior ) { 
     if (Opt == OptGeneric    ) { KERNEL_CALL(DhopSiteGeneric,0); return;}
-#ifndef GRID_CUDA
     if (Opt == OptHandUnroll ) { KERNEL_CALL(DhopSiteHand,0);    return;}
-#endif
   } else if( interior ) {
     if (Opt == OptGeneric    ) { KERNEL_CALL(DhopSiteGenericInt,0); return;}
-#ifndef GRID_CUDA
     if (Opt == OptHandUnroll ) { KERNEL_CALL(DhopSiteHandInt,0);    return;}
-#endif
   } else if( exterior ) { 
     if (Opt == OptGeneric    ) { KERNEL_CALL(DhopSiteGenericExt,0); return;}
-#ifndef GRID_CUDA
     if (Opt == OptHandUnroll ) { KERNEL_CALL(DhopSiteHandExt,0);    return;}
-#endif
   }
 }
 

Grid/qcd/action/fermion/implementation/WilsonTMFermionImplementation.h

@@ -93,5 +93,25 @@ void WilsonTMFermion<Impl>::MooeeInvDag(const FermionField &in, FermionField &ou
   RealD b    = tm /sq;
   axpibg5x(out,in,a,b);
 }
+template<class Impl>
+void WilsonTMFermion<Impl>::M(const FermionField &in, FermionField &out) {
+  out.Checkerboard() = in.Checkerboard();
+  this->Dhop(in, out, DaggerNo);
+  FermionField tmp(out.Grid());
+  RealD a = 4.0+this->mass;
+  RealD b = this->mu;
+  axpibg5x(tmp,in,a,b);
+  axpy(out, 1.0, tmp, out);
+}
+template<class Impl>
+void WilsonTMFermion<Impl>::Mdag(const FermionField &in, FermionField &out) {
+  out.Checkerboard() = in.Checkerboard();
+  this->Dhop(in, out, DaggerYes);
+  FermionField tmp(out.Grid());
+  RealD a = 4.0+this->mass;
+  RealD b = -this->mu;
+  axpibg5x(tmp,in,a,b);
+  axpy(out, 1.0, tmp, out);
+}
 
 NAMESPACE_END(Grid);

Grid/qcd/action/pseudofermion/EvenOddSchurDifferentiable.h

@@ -86,8 +86,13 @@ public:
     assert(ForceE.Checkerboard()==Even);
     assert(ForceO.Checkerboard()==Odd);
 
+#if defined(GRID_CUDA) || defined(GRID_HIP)  || defined(GRID_SYCL)
+    acceleratorSetCheckerboard(Force,ForceE);
+    acceleratorSetCheckerboard(Force,ForceO);
+#else
     setCheckerboard(Force,ForceE); 
     setCheckerboard(Force,ForceO);
+#endif
     Force=-Force;
 
     delete forcecb;
@@ -130,8 +135,13 @@ public:
     assert(ForceE.Checkerboard()==Even);
     assert(ForceO.Checkerboard()==Odd);
 
+#if defined(GRID_CUDA) || defined(GRID_HIP)  || defined(GRID_SYCL)
+    acceleratorSetCheckerboard(Force,ForceE);
+    acceleratorSetCheckerboard(Force,ForceO);
+#else
     setCheckerboard(Force,ForceE); 
     setCheckerboard(Force,ForceO);
+#endif
     Force=-Force;
 
     delete forcecb;

Grid/qcd/hmc/integrators/Integrator.h

@@ -87,6 +87,8 @@ public:
 
   const ActionSet<Field, RepresentationPolicy> as;
 
+  ActionSet<Field,RepresentationPolicy> LevelForces;
+  
   //Get a pointer to a shared static instance of the "do-nothing" momentum filter to serve as a default
   static MomentumFilterBase<MomentaField> const* getDefaultMomFilter(){ 
     static MomentumFilterNone<MomentaField> filter;
@@ -124,6 +126,9 @@ public:
     // input U actually not used in the fundamental case
     // Fundamental updates, include smearing
 
+    assert(as.size()==LevelForces.size());
+    
+    Field level_force(U.Grid()); level_force =Zero();
     for (int a = 0; a < as[level].actions.size(); ++a) {
 
       double start_full = usecond();
@@ -144,7 +149,10 @@ public:
       MomFilter->applyFilter(force);
 
       std::cout << GridLogIntegrator << " update_P : Level [" << level <<"]["<<a <<"] "<<name<<" dt "<<ep<<  std::endl;
-      
+
+      // track the total
+      level_force = level_force+force;
+
       Real force_abs   = std::sqrt(norm2(force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
       Real impulse_abs = force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
 
@@ -167,6 +175,16 @@ public:
 
     }
 
+    {
+      // total force
+      Real force_abs   = std::sqrt(norm2(level_force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
+      Real impulse_abs = force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
+
+      Real force_max   = std::sqrt(maxLocalNorm2(level_force));
+      Real impulse_max = force_max * ep * HMC_MOMENTUM_DENOMINATOR;    
+      LevelForces[level].actions.at(0)->deriv_log(force_abs,force_max,impulse_abs,impulse_max);
+    }
+
     // Force from the other representations
     as[level].apply(update_P_hireps, Representations, Mom, U, ep);
 
@@ -216,6 +234,16 @@ public:
 
     //Default the momentum filter to "do-nothing"
     MomFilter = getDefaultMomFilter();
+
+    for (int level = 0; level < as.size(); ++level) {
+      int multiplier = as.at(level).multiplier;
+      ActionLevel<Field, RepresentationPolicy> * Level = new ActionLevel<Field, RepresentationPolicy>(multiplier);
+      Level->push_back(new EmptyAction<Field>); 
+      LevelForces.push_back(*Level);
+      // does it copy by value or reference??
+      // - answer it copies by value, BUT the action level contains a reference that is NOT updated.
+      // Unsafe code in Guido's area
+    }
   };
 
   virtual ~Integrator() {}
@@ -233,10 +261,14 @@ public:
 
   void reset_timer(void)
   {
+    assert(as.size()==LevelForces.size());
     for (int level = 0; level < as.size(); ++level) {
       for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
         as[level].actions.at(actionID)->reset_timer();
       }
+      int actionID=0;
+      assert(LevelForces.at(level).actions.size()==1);
+      LevelForces.at(level).actions.at(actionID)->reset_timer();
     }
   }
   void print_timer(void)
@@ -298,6 +330,16 @@ public:
 		  <<" calls "     << as[level].actions.at(actionID)->deriv_num
 		  << std::endl;
       }
+      int actionID=0;
+      std::cout << GridLogMessage 
+		  << LevelForces[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] :\n\t\t "
+		  <<" force max " << LevelForces[level].actions.at(actionID)->deriv_max_average()
+		  <<" norm "      << LevelForces[level].actions.at(actionID)->deriv_norm_average()
+		  <<" Fdt max  "  << LevelForces[level].actions.at(actionID)->Fdt_max_average()
+		  <<" Fdt norm "  << LevelForces[level].actions.at(actionID)->Fdt_norm_average()
+		  <<" calls "     << LevelForces[level].actions.at(actionID)->deriv_num
+		  << std::endl;
     }
     std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
   }
@@ -319,6 +361,13 @@ public:
 	std::cout << as[level].actions.at(actionID)->LogParameters();
       }
     }
+    std::cout << " [Integrator] Total Force loggers: "<< LevelForces.size() <<std::endl;
+    for (int level = 0; level < LevelForces.size(); ++level) {
+      std::cout << GridLogMessage << "[Integrator] ---- Level: "<< level << std::endl;
+      for (int actionID = 0; actionID < LevelForces[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage << "["<< LevelForces[level].actions.at(actionID)->action_name() << "] ID: " << actionID << std::endl;
+      }
+    }
     std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
   }
 
@@ -400,6 +449,7 @@ public:
   RealD S(Field& U) 
   {  // here also U not used
 
+    assert(as.size()==LevelForces.size());
     std::cout << GridLogIntegrator << "Integrator action\n";
 
     RealD H = - FieldImplementation::FieldSquareNorm(P)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom

Grid/qcd/smearing/GaugeConfigurationMasked.h

@@ -1,3 +1,4 @@
+
 /*!
   @file GaugeConfiguration.h
   @brief Declares the GaugeConfiguration class
@@ -6,6 +7,15 @@
 
 NAMESPACE_BEGIN(Grid);
 
+
+template<class T> void Dump(const Lattice<T> & lat,
+			    std::string s,
+			    Coordinate site = Coordinate({0,0,0,0}))
+{
+  typename T::scalar_object tmp;
+  peekSite(tmp,lat,site);
+  std::cout << " Dump "<<s<<" "<<tmp<<std::endl;
+}
 /*!
   @brief Smeared configuration masked container
   Modified for a multi-subset smearing (aka Luscher Flowed HMC)
@@ -28,6 +38,101 @@ private:
   typedef typename SU3Adjoint::LatticeAdjMatrix  AdjMatrixField;
   typedef typename SU3Adjoint::LatticeAdjVector  AdjVectorField;
 
+  void BaseSmearDerivative(GaugeField& SigmaTerm,
+			   const GaugeField& iLambda,
+			   const GaugeField& U,
+			   int mmu, RealD rho)
+  {
+    // Reference
+    // Morningstar, Peardon, Phys.Rev.D69,054501(2004)
+    // Equation 75
+    // Computing Sigma_mu, derivative of S[fat links] with respect to the thin links
+    // Output SigmaTerm
+
+    GridBase *grid = U.Grid();
+
+    WilsonLoops<Gimpl> WL;
+    GaugeLinkField staple(grid), u_tmp(grid);
+    GaugeLinkField iLambda_mu(grid), iLambda_nu(grid);
+    GaugeLinkField U_mu(grid), U_nu(grid);
+    GaugeLinkField sh_field(grid), temp_Sigma(grid);
+    Real rho_munu, rho_numu;
+
+    rho_munu = rho;
+    rho_numu = rho;
+    for(int mu = 0; mu < Nd; ++mu){
+      U_mu       = peekLorentz(      U, mu);
+      iLambda_mu = peekLorentz(iLambda, mu);
+
+      for(int nu = 0; nu < Nd; ++nu){
+	if(nu==mu) continue;
+
+	U_nu       = peekLorentz(      U, nu);
+
+	// Nd(nd-1) = 12 staples normally.
+	// We must compute 6 of these
+	// in FTHMC case
+	if ( (mu==mmu)||(nu==mmu) )
+	  WL.StapleUpper(staple, U, mu, nu);
+	
+	if(nu==mmu) {
+	  iLambda_nu = peekLorentz(iLambda, nu);
+
+	  temp_Sigma = -rho_numu*staple*iLambda_nu;  //ok
+	  //-r_numu*U_nu(x+mu)*Udag_mu(x+nu)*Udag_nu(x)*Lambda_nu(x)
+	  Gimpl::AddLink(SigmaTerm, temp_Sigma, mu);
+
+	  sh_field = Cshift(iLambda_nu, mu, 1);// general also for Gparity?
+
+	  temp_Sigma = rho_numu*sh_field*staple; //ok
+	  //r_numu*Lambda_nu(mu)*U_nu(x+mu)*Udag_mu(x+nu)*Udag_nu(x)
+	  Gimpl::AddLink(SigmaTerm, temp_Sigma, mu);
+	}
+
+	if ( mu == mmu ) { 
+	  sh_field = Cshift(iLambda_mu, nu, 1);
+
+	  temp_Sigma = -rho_munu*staple*U_nu*sh_field*adj(U_nu); //ok
+	  //-r_munu*U_nu(x+mu)*Udag_mu(x+nu)*Lambda_mu(x+nu)*Udag_nu(x)
+	  Gimpl::AddLink(SigmaTerm, temp_Sigma, mu);
+	}
+
+	//	staple = Zero();
+	sh_field = Cshift(U_nu, mu, 1);
+
+	temp_Sigma = Zero();
+
+	if ( mu == mmu )
+	  temp_Sigma = -rho_munu*adj(sh_field)*adj(U_mu)*iLambda_mu*U_nu;
+
+	if ( nu == mmu ) {
+	  temp_Sigma += rho_numu*adj(sh_field)*adj(U_mu)*iLambda_nu*U_nu;
+
+	  u_tmp = adj(U_nu)*iLambda_nu;
+	  sh_field = Cshift(u_tmp, mu, 1);
+	  temp_Sigma += -rho_numu*sh_field*adj(U_mu)*U_nu;
+	}
+	
+	sh_field = Cshift(temp_Sigma, nu, -1);
+	Gimpl::AddLink(SigmaTerm, sh_field, mu);
+
+      }
+    }
+  }
+  
+  void BaseSmear(GaugeLinkField& Cup, const GaugeField& U,int mu,RealD rho) {
+    GridBase *grid = U.Grid();
+    GaugeLinkField tmp_stpl(grid);
+    WilsonLoops<Gimpl> WL;
+    Cup = Zero();
+    for(int nu=0; nu<Nd; ++nu){
+      if (nu != mu) {
+	// get the staple in direction mu, nu
+	WL.Staple(tmp_stpl, U, mu, nu);  //nb staple conventions of IroIro and Grid differ by a dagger
+	Cup += adj(tmp_stpl*rho);
+      }
+    }
+  }
   // Adjoint vector to GaugeField force
   void InsertForce(GaugeField &Fdet,AdjVectorField &Fdet_nu,int nu)
   {
@@ -47,27 +152,54 @@ private:
     GaugeLinkField UtaU(PlaqL.Grid());
     GaugeLinkField D(PlaqL.Grid());
     AdjMatrixField Dbc(PlaqL.Grid());
+    AdjMatrixField Dbc_opt(PlaqL.Grid());
     LatticeComplex tmp(PlaqL.Grid());
     const int Ngen = SU3Adjoint::Dimension;
     Complex ci(0,1);
     ColourMatrix   ta,tb,tc;
-    
+    RealD t=0;
+    RealD tp=0;
+    RealD tta=0;
+    RealD tpk=0;
+    t-=usecond();
     for(int a=0;a<Ngen;a++) {
+      tta-=usecond();
       SU3::generator(a, ta);
+      ta = 2.0 * ci * ta;
       // Qlat Tb = 2i Tb^Grid
-      UtaU= 2.0*ci*adj(PlaqL)*ta*PlaqR;
+      UtaU= adj(PlaqL)*ta*PlaqR; // 6ms
+      tta+=usecond();
+      ////////////////////////////////////////////
+      // Could add this entire C-loop to a projection routine
+      // for performance. Could also pick checkerboard on UtaU
+      // and set checkerboard on result for 2x perf
+      ////////////////////////////////////////////
       for(int c=0;c<Ngen;c++) {
 	SU3::generator(c, tc);
-	D = Ta( (2.0)*ci*tc *UtaU);
+	tc = 2.0*ci*tc;
+	tp-=usecond(); 
+	D = Ta( tc *UtaU); // 2ms
+#if 1
+	SU3::LieAlgebraProject(Dbc_opt,D,c); // 5.5ms
+#else
 	for(int b=0;b<Ngen;b++){
 	  SU3::generator(b, tb);
 	  tmp =-trace(ci*tb*D); 
 	  PokeIndex<ColourIndex>(Dbc,tmp,b,c);  // Adjoint rep
 	}
+#endif
+	tp+=usecond();
       }
-      tmp = trace(MpInvJx * Dbc);
+      //      Dump(Dbc_opt,"Dbc_opt");
+      //      Dump(Dbc,"Dbc");
+      tpk-=usecond();
+      tmp = trace(MpInvJx * Dbc_opt);
       PokeIndex<ColourIndex>(Fdet2,tmp,a);
+      tpk+=usecond();
     }
+    t+=usecond();
+    std::cout << GridLogPerformance << " Compute_MpInvJx_dNxxdSy " << t/1e3 << " ms  proj "<<tp/1e3<< " ms"
+	      << " ta "<<tta/1e3<<" ms" << " poke "<<tpk/1e3<< " ms"<<std::endl;
   }
   
   void ComputeNxy(const GaugeLinkField &PlaqL,const GaugeLinkField &PlaqR,AdjMatrixField &NxAd)
@@ -79,12 +211,17 @@ private:
     ColourMatrix   tc;
     for(int b=0;b<Ngen;b++) {
       SU3::generator(b, tb);
-      Nx = (2.0)*Ta( adj(PlaqL)*ci*tb * PlaqR );
+      tb = 2.0 * ci * tb;
+      Nx = Ta( adj(PlaqL)*tb * PlaqR );
+#if 1
+      SU3::LieAlgebraProject(NxAd,Nx,b);
+#else
       for(int c=0;c<Ngen;c++) {
 	SU3::generator(c, tc);
 	auto tmp =closure( -trace(ci*tc*Nx)); 
 	PokeIndex<ColourIndex>(NxAd,tmp,c,b); 
       }
+#endif
     }
   }
   void ApplyMask(GaugeField &U,int smr)
@@ -164,8 +301,7 @@ public:
     // Computes ALL the staples -- could compute one only and do it here
     RealD time;
     time=-usecond();
-    this->StoutSmearing->BaseSmear(C, U);
-    Cmu = peekLorentz(C, mu);
+    BaseSmear(Cmu, U,mu,rho);
 
     //////////////////////////////////////////////////////////////////
     // Assemble Luscher exp diff map J matrix 
@@ -209,6 +345,36 @@ public:
     // dJ(x)/dxe
     //////////////////////////////////////
     time=-usecond();
+#if 1
+    std::vector<AdjMatrixField>  dJdX;    dJdX.resize(8,grid);
+    std::vector<AdjMatrix> TRb_s; TRb_s.resize(8);
+    AdjMatrixField tbXn(grid);
+    AdjMatrixField sumXtbX(grid);
+    AdjMatrixField t2(grid);
+    AdjMatrixField dt2(grid);
+    AdjMatrixField t3(grid);
+    AdjMatrixField dt3(grid);
+    AdjMatrixField aunit(grid);
+
+    for(int b=0;b<8;b++){
+      SU3Adjoint::generator(b, TRb_s[b]);
+      dJdX[b] = TRb_s[b];
+    }
+    aunit = ComplexD(1.0);
+    // Could put into an accelerator_for
+    X  = (-1.0)*ZxAd; 
+    t2 = X;
+    for (int j = 12; j > 1; --j) {
+      t3  = t2*(1.0 / (j + 1))  + aunit;
+      t2  = X * t3;
+      for(int b=0;b<8;b++){
+	dJdX[b]= TRb_s[b] * t3 + X * dJdX[b]*(1.0 / (j + 1));
+      }
+    }
+    for(int b=0;b<8;b++){
+      dJdX[b] = -dJdX[b];
+    }
+#else
     std::vector<AdjMatrixField>  dJdX;    dJdX.resize(8,grid);
     AdjMatrixField tbXn(grid);
     AdjMatrixField sumXtbX(grid);
@@ -224,14 +390,15 @@ public:
       X  = (-1.0)*ZxAd; 
       t2 = X;
       dt2 = TRb;
-      for (int j = 20; j > 1; --j) {
-	t3 = t2*(1.0 / (j + 1))  + aunit;
+      for (int j = 12; j > 1; --j) {
+	t3  = t2*(1.0 / (j + 1))  + aunit;
 	dt3 = dt2*(1.0 / (j + 1));
 	t2 = X * t3;
 	dt2 = TRb * t3 + X * dt3;
       }
       dJdX[b] = -dt2; 
     }
+#endif  
     time+=usecond();
     std::cout << GridLogMessage << "dJx took "<<time<< " us"<<std::endl;
     /////////////////////////////////////////////////////////////////
@@ -281,8 +448,8 @@ public:
     
     for(int e =0 ; e<8 ; e++){
       LatticeComplexD tr(grid);
-      ColourMatrix te;
-      SU3::generator(e, te);
+      //      ColourMatrix te;
+      //      SU3::generator(e, te);
       tr = trace(dJdX[e] * nMpInv);
       pokeColour(dJdXe_nMpInv,tr,e);
     }
@@ -493,20 +660,25 @@ public:
     //////////////////////////////////////////////////////////////////
     // Assemble the N matrix
     //////////////////////////////////////////////////////////////////
-    // Computes ALL the staples -- could compute one only here
-    this->StoutSmearing->BaseSmear(C, U);
-    Cmu = peekLorentz(C, mu);
+    double rho=this->StoutSmearing->SmearRho[1];
+    BaseSmear(Cmu, U,mu,rho);
+
     Umu = peekLorentz(U, mu);
     Complex ci(0,1);
     for(int b=0;b<Ngen;b++) {
       SU3::generator(b, Tb);
       // Qlat Tb = 2i Tb^Grid
       Nb = (2.0)*Ta( ci*Tb * Umu * adj(Cmu));
+      // FIXME -- replace this with LieAlgebraProject
+#if 0
+      SU3::LieAlgebraProject(Ncb,tmp,b);
+#else
       for(int c=0;c<Ngen;c++) {
 	SU3::generator(c, Tc);
 	auto tmp = -trace(ci*Tc*Nb); // Luchang's norm: (2Tc) (2Td) N^db = -2 delta cd N^db // - was important
 	PokeIndex<ColourIndex>(Ncb,tmp,c,b); 
       }
+#endif
     }      
 
     //////////////////////////////////////////////////////////////////
@@ -693,15 +865,19 @@ private:
 					  const GaugeField& GaugeK,int level) 
   {
     GridBase* grid = GaugeK.Grid();
-    GaugeField C(grid), SigmaK(grid), iLambda(grid);
+    GaugeField SigmaK(grid), iLambda(grid);
     GaugeField SigmaKPrimeA(grid);
     GaugeField SigmaKPrimeB(grid);
     GaugeLinkField iLambda_mu(grid);
     GaugeLinkField iQ(grid), e_iQ(grid);
     GaugeLinkField SigmaKPrime_mu(grid);
     GaugeLinkField GaugeKmu(grid), Cmu(grid);
-    
-    this->StoutSmearing->BaseSmear(C, GaugeK);
+
+    int mmu= (level/2) %Nd;
+    int cb= (level%2);
+    double rho=this->StoutSmearing->SmearRho[1];
+
+    // Can override this to do one direction only.
     SigmaK = Zero();
     iLambda = Zero();
 
@@ -712,18 +888,38 @@ private:
     // Could get away with computing only one polarisation here
     // int mu= (smr/2) %Nd;
     // SigmaKprime_A has only one component
-    for (int mu = 0; mu < Nd; mu++)
+#if 0
+    BaseSmear(Cmu, GaugeK,mu,rho);
+    GaugeKmu = peekLorentz(GaugeK, mu);
+    SigmaKPrime_mu = peekLorentz(SigmaKPrimeA, mu);
+    iQ = Ta(Cmu * adj(GaugeKmu));
+    this->set_iLambda(iLambda_mu, e_iQ, iQ, SigmaKPrime_mu, GaugeKmu);
+    pokeLorentz(SigmaK, SigmaKPrime_mu * e_iQ + adj(Cmu) * iLambda_mu, mu);
+    pokeLorentz(iLambda, iLambda_mu, mu);
+    BaseSmearDerivative(SigmaK, iLambda,GaugeK,mu,rho);  // derivative of SmearBase
+#else
+    //    GaugeField C(grid);
+    //    this->StoutSmearing->BaseSmear(C, GaugeK);
+    //    for (int mu = 0; mu < Nd; mu++)
+    int mu =mmu;
+    BaseSmear(Cmu, GaugeK,mu,rho);
     {
-      Cmu = peekLorentz(C, mu);
+      // Cmu = peekLorentz(C, mu);
       GaugeKmu = peekLorentz(GaugeK, mu);
       SigmaKPrime_mu = peekLorentz(SigmaKPrimeA, mu);
       iQ = Ta(Cmu * adj(GaugeKmu));
       this->set_iLambda(iLambda_mu, e_iQ, iQ, SigmaKPrime_mu, GaugeKmu);
       pokeLorentz(SigmaK, SigmaKPrime_mu * e_iQ + adj(Cmu) * iLambda_mu, mu);
       pokeLorentz(iLambda, iLambda_mu, mu);
+      std::cout << " mu "<<mu<<" SigmaKPrime_mu"<<norm2(SigmaKPrime_mu)<< " iLambda_mu " <<norm2(iLambda_mu)<<std::endl;
     }
-    this->StoutSmearing->derivative(SigmaK, iLambda,GaugeK);  // derivative of SmearBase
-
+    //    GaugeField SigmaKcopy(grid);
+    //    SigmaKcopy = SigmaK;
+    BaseSmearDerivative(SigmaK, iLambda,GaugeK,mu,rho);  // derivative of SmearBase
+    //    this->StoutSmearing->derivative(SigmaK, iLambda,GaugeK);  // derivative of SmearBase
+    //    SigmaKcopy = SigmaKcopy - SigmaK;
+    //    std::cout << " BaseSmearDerivative fast path error" <<norm2(SigmaKcopy)<<std::endl;
+#endif
     ////////////////////////////////////////////////////////////////////////////////////
     // propagate the rest of the force as identity map, just add back
     ////////////////////////////////////////////////////////////////////////////////////

Grid/qcd/smearing/HISQSmearing.h

@@ -0,0 +1,389 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/smearing/HISQSmearing.h
+
+Copyright (C) 2023
+
+Author: D. A. Clarke <clarke.davida@gmail.com> 
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*
+    @file HISQSmearing.h
+    @brief Declares classes related to HISQ smearing 
+*/
+
+
+#pragma once
+#include <Grid/Grid.h>
+#include <Grid/lattice/PaddedCell.h>
+#include <Grid/stencil/GeneralLocalStencil.h>
+
+
+NAMESPACE_BEGIN(Grid);
+
+
+// TODO: find a way to fold this into the stencil header. need to access grid to get
+// Nd, since you don't want to inherit from QCD.h
+/*!  @brief append arbitrary shift path to shifts */
+template<typename... Args>
+void appendShift(std::vector<Coordinate>& shifts, int dir, Args... args) {
+    Coordinate shift(Nd,0);
+    generalShift(shift, dir, args...); 
+    // push_back creates an element at the end of shifts and
+    // assigns the data in the argument to it.
+    shifts.push_back(shift);
+}
+
+
+/*!  @brief figure out the stencil index from mu and nu */
+accelerator_inline int stencilIndex(int mu, int nu) {
+    // Nshifts depends on how you built the stencil
+    int Nshifts = 6;
+    return Nshifts*nu + Nd*Nshifts*mu;
+}
+
+
+/*!  @brief structure holding the link treatment */
+struct SmearingParameters{
+    SmearingParameters(){}
+    Real c_1;               // 1 link
+    Real c_naik;            // Naik term
+    Real c_3;               // 3 link
+    Real c_5;               // 5 link
+    Real c_7;               // 7 link
+    Real c_lp;              // 5 link Lepage
+    SmearingParameters(Real c1, Real cnaik, Real c3, Real c5, Real c7, Real clp) 
+        : c_1(c1),
+          c_naik(cnaik),
+          c_3(c3),
+          c_5(c5),
+          c_7(c7),
+          c_lp(clp){}
+};
+
+
+/*!  @brief create fat links from link variables */
+template<class Gimpl> 
+class Smear_HISQ : public Gimpl {
+
+private:
+    GridCartesian* const _grid;
+    SmearingParameters _linkTreatment;
+
+public:
+
+    INHERIT_GIMPL_TYPES(Gimpl);
+    typedef typename Gimpl::GaugeField     GF;
+    typedef typename Gimpl::GaugeLinkField LF;
+    typedef typename Gimpl::ComplexField   CF;
+
+    // Don't allow default values here.
+    Smear_HISQ(GridCartesian* grid, Real c1, Real cnaik, Real c3, Real c5, Real c7, Real clp) 
+        : _grid(grid), 
+          _linkTreatment(c1,cnaik,c3,c5,c7,clp) {
+        assert(Nc == 3 && "HISQ smearing currently implemented only for Nc==3");
+        assert(Nd == 4 && "HISQ smearing only defined for Nd==4");
+    }
+
+    // Allow to pass a pointer to a C-style, double array for MILC convenience
+    Smear_HISQ(GridCartesian* grid, double* coeff) 
+        : _grid(grid), 
+          _linkTreatment(coeff[0],coeff[1],coeff[2],coeff[3],coeff[4],coeff[5]) {
+        assert(Nc == 3 && "HISQ smearing currently implemented only for Nc==3");
+        assert(Nd == 4 && "HISQ smearing only defined for Nd==4");
+    }
+
+    ~Smear_HISQ() {}
+
+    // Intent: OUT--u_smr, u_naik
+    //          IN--u_thin
+    void smear(GF& u_smr, GF& u_naik, GF& u_thin) const {
+
+        SmearingParameters lt = this->_linkTreatment;
+        auto grid = this->_grid;
+
+        // Create a padded cell of extra padding depth=1 and fill the padding.
+        int depth = 1;
+        PaddedCell Ghost(depth,grid);
+        GF Ughost = Ghost.Exchange(u_thin);
+
+        // This is where auxiliary N-link fields and the final smear will be stored. 
+        GF Ughost_fat(Ughost.Grid());
+        GF Ughost_3link(Ughost.Grid());
+        GF Ughost_5linkA(Ughost.Grid());
+        GF Ughost_5linkB(Ughost.Grid());
+
+        // mu-nu plane stencil. We allow mu==nu to make indexing the stencil easier,
+        // but these entries will not be used. 
+        std::vector<Coordinate> shifts;
+        for(int mu=0;mu<Nd;mu++)
+        for(int nu=0;nu<Nd;nu++) {
+            appendShift(shifts,mu);
+            appendShift(shifts,nu);
+            appendShift(shifts,shiftSignal::NO_SHIFT);
+            appendShift(shifts,mu,Back(nu));
+            appendShift(shifts,Back(nu));
+            appendShift(shifts,Back(mu));
+        }
+
+        // A GeneralLocalStencil has two indices: a site and stencil index 
+        GeneralLocalStencil gStencil(Ughost.Grid(),shifts);
+
+        // This is where contributions from the smearing get added together
+        Ughost_fat=Zero();
+
+        // This loop handles 3-, 5-, and 7-link constructs, minus Lepage and Naik.
+        for(int mu=0;mu<Nd;mu++) {
+
+            // TODO: This approach is slightly memory inefficient. It uses 25% extra memory 
+            Ughost_3link =Zero();
+            Ughost_5linkA=Zero();
+            Ughost_5linkB=Zero();
+
+            // Create the accessors
+            autoView(U_v       , Ughost       , AcceleratorRead);
+            autoView(U_fat_v   , Ughost_fat   , AcceleratorWrite);
+            autoView(U_3link_v , Ughost_3link , AcceleratorWrite);
+            autoView(U_5linkA_v, Ughost_5linkA, AcceleratorWrite);
+            autoView(U_5linkB_v, Ughost_5linkB, AcceleratorWrite);
+
+            // We infer some types that will be needed in the calculation.
+            typedef decltype(gStencil.GetEntry(0,0)) stencilElement;
+            typedef decltype(coalescedReadGeneralPermute(U_v[0](0),gStencil.GetEntry(0,0)->_permute,Nd)) U3matrix;
+
+            int Nsites = U_v.size();
+            auto gStencil_v = gStencil.View(); 
+
+            accelerator_for(site,Nsites,Simd::Nsimd(),{ // ----------- 3-link constructs
+                stencilElement SE0, SE1, SE2, SE3, SE4, SE5;
+                U3matrix U0, U1, U2, U3, U4, U5, W;
+                for(int nu=0;nu<Nd;nu++) {
+                    if(nu==mu) continue;
+                    int s = stencilIndex(mu,nu);
+
+                    // The stencil gives us support points in the mu-nu plane that we will use to
+                    // grab the links we need.
+                    SE0 = gStencil_v.GetEntry(s+0,site); int x_p_mu      = SE0->_offset;
+                    SE1 = gStencil_v.GetEntry(s+1,site); int x_p_nu      = SE1->_offset;
+                    SE2 = gStencil_v.GetEntry(s+2,site); int x           = SE2->_offset;
+                    SE3 = gStencil_v.GetEntry(s+3,site); int x_p_mu_m_nu = SE3->_offset;
+                    SE4 = gStencil_v.GetEntry(s+4,site); int x_m_nu      = SE4->_offset;
+                    SE5 = gStencil_v.GetEntry(s+5,site); int x_m_mu      = SE5->_offset;
+
+                    // When you're deciding whether to take an adjoint, the question is: how is the
+                    // stored link oriented compared to the one you want? If I imagine myself travelling
+                    // with the to-be-updated link, I have two possible, alternative 3-link paths I can
+                    // take, one starting by going to the left, the other starting by going to the right.
+                    U0 = coalescedReadGeneralPermute(U_v[x_p_mu     ](nu),SE0->_permute,Nd);
+                    U1 = coalescedReadGeneralPermute(U_v[x_p_nu     ](mu),SE1->_permute,Nd);
+                    U2 = coalescedReadGeneralPermute(U_v[x          ](nu),SE2->_permute,Nd);
+                    U3 = coalescedReadGeneralPermute(U_v[x_p_mu_m_nu](nu),SE3->_permute,Nd);
+                    U4 = coalescedReadGeneralPermute(U_v[x_m_nu     ](mu),SE4->_permute,Nd);
+                    U5 = coalescedReadGeneralPermute(U_v[x_m_nu     ](nu),SE4->_permute,Nd);
+
+                    //  "left"          "right"
+                    W = U2*U1*adj(U0) + adj(U5)*U4*U3;
+
+                    // Save 3-link construct for later and add to smeared field.
+                    coalescedWrite(U_3link_v[x](nu), W);
+
+                    // The index operator (x) returns the coalesced read on GPU. The view [] index returns 
+                    // a reference to the vector object. The [x](mu) returns a reference to the densely 
+                    // packed (contiguous in memory) mu-th element of the vector object. On CPU, 
+                    // coalescedRead/Write is the identity mapping assigning vector object to vector object.
+                    // But on GPU it's non-trivial and maps scalar object to vector object and vice versa.
+                    coalescedWrite(U_fat_v[x](mu), U_fat_v(x)(mu) + lt.c_3*W);
+                }
+            })
+
+            accelerator_for(site,Nsites,Simd::Nsimd(),{ // ----------- 5-link 
+                stencilElement SE0, SE1, SE2, SE3, SE4, SE5;
+                U3matrix U0, U1, U2, U3, U4, U5, W;
+                int sigmaIndex = 0;
+                for(int nu=0;nu<Nd;nu++) {
+                    if(nu==mu) continue;
+                    int s = stencilIndex(mu,nu);
+                    for(int rho=0;rho<Nd;rho++) {
+                        if (rho == mu || rho == nu) continue;
+
+                        SE0 = gStencil_v.GetEntry(s+0,site); int x_p_mu      = SE0->_offset;
+                        SE1 = gStencil_v.GetEntry(s+1,site); int x_p_nu      = SE1->_offset;
+                        SE2 = gStencil_v.GetEntry(s+2,site); int x           = SE2->_offset;
+                        SE3 = gStencil_v.GetEntry(s+3,site); int x_p_mu_m_nu = SE3->_offset;
+                        SE4 = gStencil_v.GetEntry(s+4,site); int x_m_nu      = SE4->_offset;
+
+                        U0 = coalescedReadGeneralPermute(      U_v[x_p_mu     ](nu ),SE0->_permute,Nd);
+                        U1 = coalescedReadGeneralPermute(U_3link_v[x_p_nu     ](rho),SE1->_permute,Nd);
+                        U2 = coalescedReadGeneralPermute(      U_v[x          ](nu ),SE2->_permute,Nd);
+                        U3 = coalescedReadGeneralPermute(      U_v[x_p_mu_m_nu](nu ),SE3->_permute,Nd);
+                        U4 = coalescedReadGeneralPermute(U_3link_v[x_m_nu     ](rho),SE4->_permute,Nd);
+                        U5 = coalescedReadGeneralPermute(      U_v[x_m_nu     ](nu ),SE4->_permute,Nd);
+
+                        W  = U2*U1*adj(U0) + adj(U5)*U4*U3;
+
+                        if(sigmaIndex<3) {
+                            coalescedWrite(U_5linkA_v[x](rho), W);
+                        } else {
+                            coalescedWrite(U_5linkB_v[x](rho), W);
+                        }    
+
+                        coalescedWrite(U_fat_v[x](mu), U_fat_v(x)(mu) + lt.c_5*W);
+                        sigmaIndex++;
+                    }
+                }
+            })
+
+            accelerator_for(site,Nsites,Simd::Nsimd(),{ // ----------- 7-link
+                stencilElement SE0, SE1, SE2, SE3, SE4, SE5;
+                U3matrix U0, U1, U2, U3, U4, U5, W;
+                int sigmaIndex = 0;
+                for(int nu=0;nu<Nd;nu++) {
+                    if(nu==mu) continue;
+                    int s = stencilIndex(mu,nu);
+                    for(int rho=0;rho<Nd;rho++) {
+                        if (rho == mu || rho == nu) continue;
+
+                        SE0 = gStencil_v.GetEntry(s+0,site); int x_p_mu      = SE0->_offset;
+                        SE1 = gStencil_v.GetEntry(s+1,site); int x_p_nu      = SE1->_offset;
+                        SE2 = gStencil_v.GetEntry(s+2,site); int x           = SE2->_offset;
+                        SE3 = gStencil_v.GetEntry(s+3,site); int x_p_mu_m_nu = SE3->_offset;
+                        SE4 = gStencil_v.GetEntry(s+4,site); int x_m_nu      = SE4->_offset;
+
+                        U0 = coalescedReadGeneralPermute(U_v[x_p_mu](nu),SE0->_permute,Nd);
+                        if(sigmaIndex<3) {
+                            U1 = coalescedReadGeneralPermute(U_5linkB_v[x_p_nu](rho),SE1->_permute,Nd);
+                        } else {
+                            U1 = coalescedReadGeneralPermute(U_5linkA_v[x_p_nu](rho),SE1->_permute,Nd);
+                        }  
+                        U2 = coalescedReadGeneralPermute(U_v[x](nu),SE2->_permute,Nd);
+                        U3 = coalescedReadGeneralPermute(U_v[x_p_mu_m_nu](nu),SE3->_permute,Nd);
+                        if(sigmaIndex<3) {
+                            U4 = coalescedReadGeneralPermute(U_5linkB_v[x_m_nu](rho),SE4->_permute,Nd);
+                        } else {
+                            U4 = coalescedReadGeneralPermute(U_5linkA_v[x_m_nu](rho),SE4->_permute,Nd);
+                        }  
+                        U5 = coalescedReadGeneralPermute(U_v[x_m_nu](nu),SE4->_permute,Nd);
+
+                        W  = U2*U1*adj(U0) + adj(U5)*U4*U3;
+
+                        coalescedWrite(U_fat_v[x](mu), U_fat_v(x)(mu) + lt.c_7*W);
+                        sigmaIndex++;
+                    }
+                }
+            })
+
+        } // end mu loop
+
+        // c1, c3, c5, c7 construct contributions
+        u_smr = Ghost.Extract(Ughost_fat) + lt.c_1*u_thin;
+
+        // Load up U and V std::vectors to access thin and smeared links.
+        std::vector<LF> U(Nd, grid);
+        std::vector<LF> V(Nd, grid);
+        std::vector<LF> Vnaik(Nd, grid);
+        for (int mu = 0; mu < Nd; mu++) {
+            U[mu] = PeekIndex<LorentzIndex>(u_thin, mu);
+            V[mu] = PeekIndex<LorentzIndex>(u_smr, mu);
+        }
+
+        for(int mu=0;mu<Nd;mu++) {
+
+            // Naik
+            Vnaik[mu] = lt.c_naik*Gimpl::CovShiftForward(U[mu],mu,
+                                    Gimpl::CovShiftForward(U[mu],mu,
+                                      Gimpl::CovShiftIdentityForward(U[mu],mu)));
+
+            // LePage
+            for (int nu_h=1;nu_h<Nd;nu_h++) {
+                int nu=(mu+nu_h)%Nd;
+                                // nu, nu, mu, Back(nu), Back(nu)
+                V[mu] = V[mu] + lt.c_lp*Gimpl::CovShiftForward(U[nu],nu,
+                                          Gimpl::CovShiftForward(U[nu],nu,
+                                            Gimpl::CovShiftForward(U[mu],mu,
+                                              Gimpl::CovShiftBackward(U[nu],nu,
+                                                Gimpl::CovShiftIdentityBackward(U[nu],nu)))))
+                                // Back(nu), Back(nu), mu, nu, nu
+                              + lt.c_lp*Gimpl::CovShiftBackward(U[nu],nu,
+                                          Gimpl::CovShiftBackward(U[nu],nu,
+                                            Gimpl::CovShiftForward(U[mu],mu,
+                                              Gimpl::CovShiftForward(U[nu],nu,
+                                                Gimpl::CovShiftIdentityForward(U[nu],nu)))));
+            }
+        }
+
+        // Put V back into u_smr.
+        for (int mu = 0; mu < Nd; mu++) {
+            PokeIndex<LorentzIndex>(u_smr , V[mu]    , mu);
+            PokeIndex<LorentzIndex>(u_naik, Vnaik[mu], mu);
+        }
+    };
+
+
+    // Intent: OUT--u_proj
+    //          IN--u_mu
+    void projectU3(GF& u_proj, GF& u_mu) const {
+
+        auto grid = this->_grid;
+
+        LF V(grid), Q(grid), sqrtQinv(grid), id_3(grid), diff(grid);
+        CF c0(grid), c1(grid), c2(grid), g0(grid), g1(grid), g2(grid), S(grid), R(grid), theta(grid), 
+           u(grid), v(grid), w(grid), den(grid), f0(grid), f1(grid), f2(grid);
+
+        // Follow MILC 10.1103/PhysRevD.82.074501, eqs (B2-B3) and (C1-C8)
+        for (int mu = 0; mu < Nd; mu++) {
+            V  = PeekIndex<LorentzIndex>(u_mu, mu);
+            Q  = adj(V)*V;
+            c0 =        real(trace(Q));
+            c1 = (1/2.)*real(trace(Q*Q));
+            c2 = (1/3.)*real(trace(Q*Q*Q));
+            S  = (1/3.)*c1-(1/18.)*c0*c0;
+            if (norm2(S)<1e-28) {
+                g0 = (1/3.)*c0; g1 = g0; g2 = g1;
+            } else {
+                R     = (1/2.)*c2-(1/3. )*c0*c1+(1/27.)*c0*c0*c0;
+                theta = acos(R*pow(S,-1.5));
+                g0    = (1/3.)*c0+2.*sqrt(S)*cos((1/3.)*theta-2*M_PI/3.);
+                g1    = (1/3.)*c0+2.*sqrt(S)*cos((1/3.)*theta          );
+                g2    = (1/3.)*c0+2.*sqrt(S)*cos((1/3.)*theta+2*M_PI/3.);
+            }
+//            if (fabs(Q.determinant()/(g0*g1*g2)-1.0) > 1e-5) { SVD }
+            u     = sqrt(g0) + sqrt(g1) + sqrt(g2);
+            v     = sqrt(g0*g1) + sqrt(g0*g2) + sqrt(g1*g2);
+            w     = sqrt(g0*g1*g2);
+            den   = w*(u*v-w);
+            f0    = (-w*(u*u+v)+u*v*v)/den;
+            f1    = (-w-u*u*u+2.*u*v)/den;
+            f2    = u/den;
+            id_3  = 1.;
+
+            sqrtQinv = f0*id_3 + f1*Q + f2*Q*Q;
+
+            PokeIndex<LorentzIndex>(u_proj, V*sqrtQinv, mu);
+        }
+    };
+
+
+//    void derivative(const GaugeField& Gauge) const {
+//    };
+};
+
+
+NAMESPACE_END(Grid);

Grid/qcd/smearing/Smearing.h

@@ -5,4 +5,5 @@
 #include <Grid/qcd/smearing/StoutSmearing.h>
 #include <Grid/qcd/smearing/GaugeConfiguration.h>
 #include <Grid/qcd/smearing/WilsonFlow.h>
+#include <Grid/qcd/smearing/HISQSmearing.h>
 

Grid/qcd/smearing/StoutSmearing.h

@@ -69,7 +69,7 @@ public:
   /*! Construct stout smearing object from explicitly specified rho matrix */
   Smear_Stout(const std::vector<double>& rho_)
     : OwnedBase{new Smear_APE<Gimpl>(rho_)}, SmearBase{OwnedBase.get()} {
-    std::cout << GridLogDebug << "Stout smearing constructor : Smear_Stout(const std::vector<double>& " << rho_ << " )" << std::endl
+    std::cout << GridLogDebug << "Stout smearing constructor : Smear_Stout(const std::vector<double>& " << rho_ << " )" << std::endl;
     assert(Nc == 3 && "Stout smearing currently implemented only for Nc==3");
     }
 

Grid/qcd/utils/GaugeGroup.h

@@ -100,6 +100,9 @@ class GaugeGroup {
   using iGroupMatrix = iScalar<iScalar<iMatrix<vtype, ncolour> > >;
   template <typename vtype>
   using iAlgebraVector = iScalar<iScalar<iVector<vtype, AdjointDimension> > >;
+  template <typename vtype>
+  using iSUnAlgebraMatrix =
+    iScalar<iScalar<iMatrix<vtype, AdjointDimension> > >;
   static int su2subgroups(void) { return su2subgroups(group_name()); }
 
   //////////////////////////////////////////////////////////////////////////////////////////////////
@@ -128,10 +131,19 @@ class GaugeGroup {
   typedef Lattice<vMatrix> LatticeMatrix;
   typedef Lattice<vMatrixF> LatticeMatrixF;
   typedef Lattice<vMatrixD> LatticeMatrixD;
-
+  
   typedef Lattice<vAlgebraVector> LatticeAlgebraVector;
   typedef Lattice<vAlgebraVectorF> LatticeAlgebraVectorF;
   typedef Lattice<vAlgebraVectorD> LatticeAlgebraVectorD;
+   
+  typedef iSUnAlgebraMatrix<vComplex>  vAlgebraMatrix;
+  typedef iSUnAlgebraMatrix<vComplexF> vAlgebraMatrixF;
+  typedef iSUnAlgebraMatrix<vComplexD> vAlgebraMatrixD;
+
+  typedef Lattice<vAlgebraMatrix>  LatticeAlgebraMatrix;
+  typedef Lattice<vAlgebraMatrixF> LatticeAlgebraMatrixF;
+  typedef Lattice<vAlgebraMatrixD> LatticeAlgebraMatrixD;
+  
 
   typedef iSU2Matrix<Complex> SU2Matrix;
   typedef iSU2Matrix<ComplexF> SU2MatrixF;
@@ -160,7 +172,7 @@ class GaugeGroup {
     return generator(lieIndex, ta, group_name());
   }
 
-  static void su2SubGroupIndex(int &i1, int &i2, int su2_index) {
+  static accelerator_inline void su2SubGroupIndex(int &i1, int &i2, int su2_index) {
     return su2SubGroupIndex(i1, i2, su2_index, group_name());
   }
 
@@ -389,6 +401,52 @@ class GaugeGroup {
     }
   }
 
+// Ta are hermitian (?)
+// Anti herm is i Ta basis
+static void LieAlgebraProject(LatticeAlgebraMatrix &out,const LatticeMatrix &in, int b)
+{
+  conformable(in, out);
+  GridBase *grid = out.Grid();
+  LatticeComplex tmp(grid);
+  Matrix ta;
+  // Using Luchang's projection convention
+  //  2 Tr{Ta Tb} A_b= 2/2 delta ab A_b = A_a
+  autoView(out_v,out,AcceleratorWrite);
+  autoView(in_v,in,AcceleratorRead);
+  int N = ncolour;
+  int NNm1 = N * (N - 1);
+  int hNNm1= NNm1/2;
+  RealD sqrt_2 = sqrt(2.0);
+  Complex ci(0.0,1.0);
+  for(int su2Index=0;su2Index<hNNm1;su2Index++){
+    int i1, i2;
+    su2SubGroupIndex(i1, i2, su2Index);
+    int ax = su2Index*2;
+    int ay = su2Index*2+1;
+    accelerator_for(ss,grid->oSites(),1,{
+	// in is traceless ANTI-hermitian whereas Grid generators are Hermitian.
+	// trace( Ta x Ci in)
+	// Bet I need to move to real part with mult by -i
+	out_v[ss]()()(ax,b) = 0.5*(real(in_v[ss]()()(i2,i1)) - real(in_v[ss]()()(i1,i2)));
+	out_v[ss]()()(ay,b) = 0.5*(imag(in_v[ss]()()(i1,i2)) + imag(in_v[ss]()()(i2,i1)));
+      });
+  }
+  for(int diagIndex=0;diagIndex<N-1;diagIndex++){
+    int k = diagIndex + 1; // diagIndex starts from 0
+    int a = NNm1+diagIndex;
+    RealD scale = 1.0/sqrt(2.0*k*(k+1));
+    accelerator_for(ss,grid->oSites(),vComplex::Nsimd(),{
+	auto tmp = in_v[ss]()()(0,0);
+	for(int i=1;i<k;i++){
+	  tmp=tmp+in_v[ss]()()(i,i);
+	}
+	tmp = tmp - in_v[ss]()()(k,k)*k;
+	out_v[ss]()()(a,b) =imag(tmp) * scale;
+      });
+    }
+}
+
+  
 };
     
 template <int ncolour>

Grid/qcd/utils/SUn.impl.h

@@ -10,6 +10,7 @@
 // doesn't get found by the scripts/filelist during bootstrapping.
 
 private:
+
 template <ONLY_IF_SU>
 static int su2subgroups(GroupName::SU) { return (ncolour * (ncolour - 1)) / 2; }
 ////////////////////////////////////////////////////////////////////////
@@ -576,3 +577,4 @@ static void RandomGaugeTransform(GridParallelRNG &pRNG, typename Gimpl::GaugeFie
   LieRandomize(pRNG,g,1.0);
   GaugeTransform<Gimpl>(Umu,g);
 }
+

Grid/simd/Grid_vector_types.h

@@ -1133,4 +1133,13 @@ static_assert(sizeof(SIMD_Ftype) == sizeof(SIMD_Itype), "SIMD vector lengths inc
 
 NAMESPACE_END(Grid);
 
+#ifdef GRID_SYCL
+template<> struct sycl::is_device_copyable<Grid::vComplexF> : public std::true_type {};
+template<> struct sycl::is_device_copyable<Grid::vComplexD> : public std::true_type {};
+template<> struct sycl::is_device_copyable<Grid::vRealF   > : public std::true_type {};
+template<> struct sycl::is_device_copyable<Grid::vRealD   > : public std::true_type {};
+template<> struct sycl::is_device_copyable<Grid::vInteger > : public std::true_type {};
+#endif
+
+
 #endif

Grid/sitmo_rng/sitmo_prng_engine.hpp

@@ -218,6 +218,10 @@ public:
     // -------------------------------------------------
     // misc
     // -------------------------------------------------
+    void discardhi(uint64_t z) {
+      _s[3] += z;
+      encrypt_counter();
+    }
     
     // req: 26.5.1.4 Random number engine requirements, p.908 table 117, row 9
     // Advances e’s state ei to ei+z by any means equivalent to z
@@ -387,4 +391,4 @@ private:
 #undef MIXK
 #undef MIX2
 
-#endif
+#endif

Grid/stencil/GeneralLocalStencil.h

@@ -137,5 +137,55 @@ public:
   
 };
 
+
+////////////////////////////////////////////////
+// Some machinery to streamline making a stencil 
+////////////////////////////////////////////////
+
+class shiftSignal {
+public:
+    enum {
+        BACKWARD_CONST = 16,
+        NO_SHIFT       = -1
+    };
+};
+
+// TODO: put a check somewhere that BACKWARD_CONST > Nd!
+
+/*!  @brief signals that you want to go backwards in direction dir */
+inline int Back(const int dir) {
+    // generalShift will use BACKWARD_CONST to determine whether we step forward or 
+    // backward. Trick inspired by SIMULATeQCD. 
+    return dir + shiftSignal::BACKWARD_CONST;
+}
+
+/*!  @brief shift one unit in direction dir */
+template<typename... Args>
+void generalShift(Coordinate& shift, int dir) {
+    if (dir >= shiftSignal::BACKWARD_CONST) {
+        dir -= shiftSignal::BACKWARD_CONST;
+        shift[dir]+=-1;
+    } else if (dir == shiftSignal::NO_SHIFT) {
+        ; // do nothing
+    } else {
+        shift[dir]+=1;
+    }
+}
+
+/*!  @brief follow a path of directions, shifting one unit in each direction */
+template<typename... Args>
+void generalShift(Coordinate& shift, int dir, Args... args) {
+    if (dir >= shiftSignal::BACKWARD_CONST) {
+        dir -= shiftSignal::BACKWARD_CONST;
+        shift[dir]+=-1;
+    } else if (dir == shiftSignal::NO_SHIFT) {
+        ; // do nothing
+    } else {
+        shift[dir]+=1;
+    }
+    generalShift(shift, args...);
+}
+
+
 NAMESPACE_END(Grid);
 

Grid/stencil/Stencil.h

@@ -706,7 +706,7 @@ public:
 	}
       }
     }
-    std::cout << GridLogDebug << "BuildSurfaceList size is "<<surface_list.size()<<std::endl;
+    //std::cout << "BuildSurfaceList size is "<<surface_list.size()<<std::endl;
   }
   /// Introduce a block structure and switch off comms on boundaries
   void DirichletBlock(const Coordinate &dirichlet_block)
@@ -761,7 +761,8 @@ public:
 		   int checkerboard,
 		   const std::vector<int> &directions,
 		   const std::vector<int> &distances,
-		   Parameters p=Parameters())
+		   Parameters p=Parameters(),
+		   bool preserve_shm=false)
   {
     face_table_computed=0;
     _grid    = grid;
@@ -855,7 +856,9 @@ public:
     /////////////////////////////////////////////////////////////////////////////////
     const int Nsimd = grid->Nsimd();
 
-    _grid->ShmBufferFreeAll();
+    // Allow for multiple stencils to exist simultaneously
+    if (!preserve_shm)
+      _grid->ShmBufferFreeAll();
 
     int maxl=2;
     u_simd_send_buf.resize(maxl);

Grid/tensors/Tensor_trace.h

@@ -69,6 +69,35 @@ accelerator_inline auto trace(const iVector<vtype,N> &arg) -> iVector<decltype(t
   }
   return ret;
 }
+////////////////////////////
+// Fast path traceProduct
+////////////////////////////
+template<class S1 , class S2, IfNotGridTensor<S1> = 0, IfNotGridTensor<S2> = 0>
+accelerator_inline auto traceProduct( const S1 &arg1,const S2 &arg2)
+  -> decltype(arg1*arg2)
+{
+  return arg1*arg2;
+}
+
+template<class vtype,class rtype,int N >
+accelerator_inline auto traceProduct(const iMatrix<vtype,N> &arg1,const iMatrix<rtype,N> &arg2) -> iScalar<decltype(trace(arg1._internal[0][0]*arg2._internal[0][0]))>
+{
+  iScalar<decltype( trace(arg1._internal[0][0]*arg2._internal[0][0] )) > ret;
+  zeroit(ret._internal);
+  for(int i=0;i<N;i++){
+  for(int j=0;j<N;j++){
+    ret._internal=ret._internal+traceProduct(arg1._internal[i][j],arg2._internal[j][i]);
+  }}
+  return ret;
+}
+
+template<class vtype,class rtype >
+accelerator_inline auto traceProduct(const iScalar<vtype> &arg1,const iScalar<rtype> &arg2) -> iScalar<decltype(trace(arg1._internal*arg2._internal))>
+{
+  iScalar<decltype(trace(arg1._internal*arg2._internal))> ret;
+  ret._internal=traceProduct(arg1._internal,arg2._internal);
+  return ret;
+}
 
 NAMESPACE_END(Grid);
 

Grid/tensors/Tensor_traits.h

@@ -34,9 +34,12 @@ NAMESPACE_BEGIN(Grid);
 
   // These are the Grid tensors
   template<typename T>     struct isGridTensor                : public std::false_type { static constexpr bool notvalue = true; };
-  template<class T>        struct isGridTensor<iScalar<T>>    : public std::true_type  { static constexpr bool notvalue = false; };
-  template<class T, int N> struct isGridTensor<iVector<T, N>> : public std::true_type  { static constexpr bool notvalue = false; };
-  template<class T, int N> struct isGridTensor<iMatrix<T, N>> : public std::true_type  { static constexpr bool notvalue = false; };
+  template<class T>        struct isGridTensor<iScalar<T> >   : public std::true_type  { static constexpr bool notvalue = false; };
+  template<class T, int N> struct isGridTensor<iVector<T, N> >: public std::true_type  { static constexpr bool notvalue = false; };
+  template<class T, int N> struct isGridTensor<iMatrix<T, N> >: public std::true_type  { static constexpr bool notvalue = false; };
+
+  template <typename T>  using IfGridTensor    = Invoke<std::enable_if<isGridTensor<T>::value, int> >;
+  template <typename T>  using IfNotGridTensor = Invoke<std::enable_if<!isGridTensor<T>::value, int> >;
 
   // Traits to identify scalars
   template<typename T>     struct isGridScalar                : public std::false_type { static constexpr bool notvalue = true; };
@@ -401,3 +404,12 @@ NAMESPACE_BEGIN(Grid);
   };
 NAMESPACE_END(Grid);
 
+
+#ifdef GRID_SYCL
+template<typename T> struct
+sycl::is_device_copyable<T, typename std::enable_if<
+			      Grid::isGridTensor<T>::value  && (!std::is_trivially_copyable<T>::value),
+			      void>::type>
+  : public std::true_type {};
+#endif
+

Grid/threads/Accelerator.cc

@@ -7,6 +7,8 @@ uint32_t accelerator_threads=2;
 uint32_t acceleratorThreads(void)       {return accelerator_threads;};
 void     acceleratorThreads(uint32_t t) {accelerator_threads = t;};
 
+#define ENV_LOCAL_RANK_PALS    "PALS_LOCAL_RANKID"
+#define ENV_RANK_PALS          "PALS_RANKID"
 #define ENV_LOCAL_RANK_OMPI    "OMPI_COMM_WORLD_LOCAL_RANK"
 #define ENV_RANK_OMPI          "OMPI_COMM_WORLD_RANK"
 #define ENV_LOCAL_RANK_SLURM   "SLURM_LOCALID"
@@ -147,7 +149,7 @@ void acceleratorInit(void)
 #define GPU_PROP_FMT(canMapHostMemory,FMT)     printf("AcceleratorHipInit:   " #canMapHostMemory ": " FMT" \n",prop.canMapHostMemory);
 #define GPU_PROP(canMapHostMemory)             GPU_PROP_FMT(canMapHostMemory,"%d");
     
-    hipGetDeviceProperties(&gpu_props[i], i);
+    auto r=hipGetDeviceProperties(&gpu_props[i], i);
     hipDeviceProp_t prop; 
     prop = gpu_props[i];
     totalDeviceMem = prop.totalGlobalMem;
@@ -228,8 +230,17 @@ void acceleratorInit(void)
   {
     rank = atoi(localRankStr);		
   }
+  if ((localRankStr = getenv(ENV_LOCAL_RANK_PALS)) != NULL)
+  {
+    rank = atoi(localRankStr);		
+  }
   if ((localRankStr = getenv(ENV_RANK_OMPI   )) != NULL) { world_rank = atoi(localRankStr);}
   if ((localRankStr = getenv(ENV_RANK_MVAPICH)) != NULL) { world_rank = atoi(localRankStr);}
+  if ((localRankStr = getenv(ENV_RANK_PALS   )) != NULL) { world_rank = atoi(localRankStr);}
+
+  char hostname[HOST_NAME_MAX+1];
+  gethostname(hostname, HOST_NAME_MAX+1);
+  if ( rank==0 ) printf(" acceleratorInit world_rank %d is host %s \n",world_rank,hostname);
 
   auto devices = cl::sycl::device::get_devices();
   for(int d = 0;d<devices.size();d++){
@@ -241,9 +252,10 @@ void acceleratorInit(void)
     printf("AcceleratorSyclInit:   " #prop ": " FMT" \n",devices[d].get_info<cl::sycl::info::device::prop>());
 
 #define GPU_PROP(prop)             GPU_PROP_FMT(prop,"%ld");
+    if ( world_rank == 0) {
 
-    GPU_PROP_STR(vendor);
-    GPU_PROP_STR(version);
+      GPU_PROP_STR(vendor);
+      GPU_PROP_STR(version);
     //    GPU_PROP_STR(device_type);
     /*
     GPU_PROP(max_compute_units);
@@ -259,7 +271,8 @@ void acceleratorInit(void)
     GPU_PROP(single_fp_config);
     */
     //    GPU_PROP(double_fp_config);
-    GPU_PROP(global_mem_size);
+      GPU_PROP(global_mem_size);
+    }
 
   }
   if ( world_rank == 0 ) {

Grid/threads/Accelerator.h

@@ -225,6 +225,8 @@ inline void acceleratorFreeShared(void *ptr){ cudaFree(ptr);};
 inline void acceleratorFreeDevice(void *ptr){ cudaFree(ptr);};
 inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { cudaMemcpy(to,from,bytes, cudaMemcpyHostToDevice);}
 inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ cudaMemcpy(to,from,bytes, cudaMemcpyDeviceToHost);}
+inline void acceleratorCopyToDeviceAsync(void *from, void *to, size_t bytes, cudaStream_t stream = copyStream) { cudaMemcpyAsync(to,from,bytes, cudaMemcpyHostToDevice, stream);}
+inline void acceleratorCopyFromDeviceAsync(void *from, void *to, size_t bytes, cudaStream_t stream = copyStream) { cudaMemcpyAsync(to,from,bytes, cudaMemcpyDeviceToHost, stream);}
 inline void acceleratorMemSet(void *base,int value,size_t bytes) { cudaMemset(base,value,bytes);}
 inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes) // Asynch
 {
@@ -253,17 +255,13 @@ inline int  acceleratorIsCommunicable(void *ptr)
 #define GRID_SYCL_LEVEL_ZERO_IPC
 
 NAMESPACE_END(Grid);
-#if 0
-#include <CL/sycl.hpp>
-#include <CL/sycl/usm.hpp>
-#include <level_zero/ze_api.h>
-#include <CL/sycl/backend/level_zero.hpp>
-#else
+
+// Force deterministic reductions
+#define SYCL_REDUCTION_DETERMINISTIC
 #include <sycl/CL/sycl.hpp>
 #include <sycl/usm.hpp>
 #include <level_zero/ze_api.h>
 #include <sycl/ext/oneapi/backend/level_zero.hpp>
-#endif
 
 NAMESPACE_BEGIN(Grid);
 
@@ -287,23 +285,24 @@ accelerator_inline int acceleratorSIMTlane(int Nsimd) {
 
 #define accelerator_for2dNB( iter1, num1, iter2, num2, nsimd, ... )	\
   theGridAccelerator->submit([&](cl::sycl::handler &cgh) {		\
-      unsigned long nt=acceleratorThreads();				\
-      unsigned long unum1 = num1;					\
-      unsigned long unum2 = num2;					\
-      if(nt < 8)nt=8;							\
-      cl::sycl::range<3> local {nt,1,nsimd};				\
-      cl::sycl::range<3> global{unum1,unum2,nsimd};			\
-      cgh.parallel_for(					\
-      cl::sycl::nd_range<3>(global,local), \
-      [=] (cl::sycl::nd_item<3> item) /*mutable*/     \
-      [[intel::reqd_sub_group_size(16)]]	      \
-      {						      \
-      auto iter1    = item.get_global_id(0);	      \
-      auto iter2    = item.get_global_id(1);	      \
-      auto lane     = item.get_global_id(2);	      \
-      { __VA_ARGS__ };				      \
-     });	   			              \
-    });
+    unsigned long nt=acceleratorThreads();				\
+    if(nt < 8)nt=8;							\
+    unsigned long unum1 = num1;						\
+    unsigned long unum2 = num2;						\
+    unsigned long unum1_divisible_by_nt = ((unum1 + nt - 1) / nt) * nt;	\
+    cl::sycl::range<3> local {nt,1,nsimd};				\
+    cl::sycl::range<3> global{unum1_divisible_by_nt,unum2,nsimd};	\
+    cgh.parallel_for(							\
+		     cl::sycl::nd_range<3>(global,local),		\
+		     [=] (cl::sycl::nd_item<3> item) /*mutable*/	\
+		     [[intel::reqd_sub_group_size(16)]]			\
+		     {							\
+		       auto iter1    = item.get_global_id(0);		\
+		       auto iter2    = item.get_global_id(1);		\
+		       auto lane     = item.get_global_id(2);		\
+		       { if (iter1 < unum1){ __VA_ARGS__ } };		\
+		     });						\
+  });
 
 #define accelerator_barrier(dummy) { theGridAccelerator->wait(); }
 
@@ -405,7 +404,7 @@ void LambdaApply(uint64_t numx, uint64_t numy, uint64_t numz, lambda Lambda)
 
 #define accelerator_barrier(dummy)				\
   {								\
-    hipStreamSynchronize(computeStream);			\
+    auto r=hipStreamSynchronize(computeStream);			\
     auto err = hipGetLastError();				\
     if ( err != hipSuccess ) {					\
       printf("After hipDeviceSynchronize() : HIP error %s \n", hipGetErrorString( err )); \
@@ -438,19 +437,21 @@ inline void *acceleratorAllocDevice(size_t bytes)
   return ptr;
 };
 
-inline void acceleratorFreeShared(void *ptr){ hipFree(ptr);};
-inline void acceleratorFreeDevice(void *ptr){ hipFree(ptr);};
-inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { hipMemcpy(to,from,bytes, hipMemcpyHostToDevice);}
-inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ hipMemcpy(to,from,bytes, hipMemcpyDeviceToHost);}
+inline void acceleratorFreeShared(void *ptr){ auto r=hipFree(ptr);};
+inline void acceleratorFreeDevice(void *ptr){ auto r=hipFree(ptr);};
+inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { auto r=hipMemcpy(to,from,bytes, hipMemcpyHostToDevice);}
+inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ auto r=hipMemcpy(to,from,bytes, hipMemcpyDeviceToHost);}
+inline void acceleratorCopyToDeviceAsync(void *from, void *to, size_t bytes, hipStream_t stream = copyStream) { auto r = hipMemcpyAsync(to,from,bytes, hipMemcpyHostToDevice, stream);}
+inline void acceleratorCopyFromDeviceAsync(void *from, void *to, size_t bytes, hipStream_t stream = copyStream) { auto r = hipMemcpyAsync(to,from,bytes, hipMemcpyDeviceToHost, stream);}
 //inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  { hipMemcpy(to,from,bytes, hipMemcpyDeviceToDevice);}
 //inline void acceleratorCopySynchronise(void) {  }
-inline void acceleratorMemSet(void *base,int value,size_t bytes) { hipMemset(base,value,bytes);}
+inline void acceleratorMemSet(void *base,int value,size_t bytes) { auto r=hipMemset(base,value,bytes);}
 
 inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes) // Asynch
 {
-  hipMemcpyDtoDAsync(to,from,bytes, copyStream);
+  auto r=hipMemcpyDtoDAsync(to,from,bytes, copyStream);
 }
-inline void acceleratorCopySynchronise(void) { hipStreamSynchronize(copyStream); };
+inline void acceleratorCopySynchronise(void) { auto r=hipStreamSynchronize(copyStream); };
 
 #endif
 
@@ -575,4 +576,11 @@ accelerator_inline void acceleratorFence(void)
   return;
 }
 
+inline void acceleratorCopyDeviceToDevice(void *from,void *to,size_t bytes)
+{
+  acceleratorCopyDeviceToDeviceAsynch(from,to,bytes);
+  acceleratorCopySynchronise();
+}
+
+
 NAMESPACE_END(Grid);

Grid/util/Init.cc

@@ -77,6 +77,10 @@ feenableexcept (unsigned int excepts)
 }
 #endif
 
+#ifndef HOST_NAME_MAX
+#define HOST_NAME_MAX _POSIX_HOST_NAME_MAX
+#endif
+
 NAMESPACE_BEGIN(Grid);
 
 //////////////////////////////////////////////////////
@@ -86,11 +90,139 @@ NAMESPACE_BEGIN(Grid);
 static Coordinate Grid_default_latt;
 static Coordinate Grid_default_mpi;
 
+
+///////////////////////////////////////////////////////
+// Grid Norm logging for repro testing
+///////////////////////////////////////////////////////
+int GridNormLoggingMode;
+int32_t GridNormLoggingCounter;
+int32_t GridMPINormLoggingCounter;
+std::vector<double> GridNormLogVector;
+std::vector<double> GridMPINormLogVector;
+std::vector<uint32_t> GridCsumLogVector;
+
+void SetGridNormLoggingMode(GridNormLoggingMode_t mode)
+{
+  switch ( mode ) {
+  case GridNormLoggingModePrint:
+    SetGridNormLoggingModePrint();
+    break;
+  case GridNormLoggingModeRecord:
+    SetGridNormLoggingModeRecord();
+    break;
+  case GridNormLoggingModeVerify:
+    SetGridNormLoggingModeVerify();
+    break;
+  case GridNormLoggingModeNone:
+    GridNormLoggingMode = mode;
+    GridNormLoggingCounter=0;
+    GridMPINormLoggingCounter=0;
+    GridNormLogVector.resize(0);
+    GridCsumLogVector.resize(0);
+    GridMPINormLogVector.resize(0);
+    break;
+  default:
+    assert(0);
+  }
+}
+
+void SetGridNormLoggingModePrint(void)
+{
+  std::cout << " GridNormLogging Reproducibility logging set to print output " <<std::endl;
+  GridNormLoggingCounter = 0;
+  GridMPINormLoggingCounter=0;
+  GridNormLogVector.resize(0);
+  GridCsumLogVector.resize(0);
+  GridMPINormLogVector.resize(0);
+  GridNormLoggingMode = GridNormLoggingModePrint;
+}
+void SetGridNormLoggingModeRecord(void)
+{
+  std::cout << " GridNormLogging Reproducibility logging set to RECORD " <<std::endl;
+  GridNormLoggingCounter = 0;
+  GridMPINormLoggingCounter=0;
+  GridNormLogVector.resize(0);
+  GridCsumLogVector.resize(0);
+  GridMPINormLogVector.resize(0);
+  GridNormLoggingMode = GridNormLoggingModeRecord;
+}
+void SetGridNormLoggingModeVerify(void)
+{
+  std::cout << " GridNormLogging Reproducibility logging set to VERIFY " << GridNormLogVector.size()<< " log entries "<<std::endl;
+  GridNormLoggingCounter = 0;
+  GridMPINormLoggingCounter=0;
+  GridNormLoggingMode = GridNormLoggingModeVerify;
+}
+void GridNormLog(double value,uint32_t csum)
+{
+  if(GridNormLoggingMode == GridNormLoggingModePrint) {
+    std::cerr<<"GridNormLog : "<< GridNormLoggingCounter <<" " << std::hexfloat << value << " csum " <<std::hex<<csum<<std::dec <<std::endl;
+    GridNormLoggingCounter++;
+  }
+  if(GridNormLoggingMode == GridNormLoggingModeRecord) {
+    GridNormLogVector.push_back(value);
+    GridCsumLogVector.push_back(csum);
+    GridNormLoggingCounter++;
+  }
+  if(GridNormLoggingMode == GridNormLoggingModeVerify) {
+    assert(GridNormLoggingCounter < GridNormLogVector.size());
+    if ( (value != GridNormLogVector[GridNormLoggingCounter])
+	 || (csum!=GridCsumLogVector[GridNormLoggingCounter]) ) {
+      std::cerr << " Oops got norm "<< std::hexfloat<<value<<" expect "<<GridNormLogVector[GridNormLoggingCounter] <<std::endl;
+      std::cerr << " Oops got csum "<< std::hex<<csum<<" expect "<<GridCsumLogVector[GridNormLoggingCounter] <<std::endl;
+      fprintf(stderr,"%s:%d Oops, I did it again! Reproduce failure for norm %d/%zu %.16e %.16e %x %x\n",
+	      GridHostname(),
+	      GlobalSharedMemory::WorldShmRank,
+	      GridNormLoggingCounter,GridNormLogVector.size(),
+	      value, GridNormLogVector[GridNormLoggingCounter],
+	      csum, GridCsumLogVector[GridNormLoggingCounter]); fflush(stderr);
+      assert(0); // Force takedown of job
+    }
+    if ( GridNormLogVector.size()==GridNormLoggingCounter ) {
+      std::cout << " GridNormLogging : Verified entire sequence of "<<GridNormLoggingCounter<<" norms "<<std::endl;
+    }
+    GridNormLoggingCounter++;
+  }
+}
+void GridMPINormLog(double local,double result)
+{
+  if(GridNormLoggingMode == GridNormLoggingModePrint) {
+    std::cerr<<"GridMPINormLog : "<< GridMPINormLoggingCounter <<" " << std::hexfloat << local << " -> " <<result <<std::endl;
+    GridMPINormLoggingCounter++;
+  }
+  if(GridNormLoggingMode == GridNormLoggingModeRecord) {
+    std::cerr<<"GridMPINormLog RECORDING : "<< GridMPINormLoggingCounter <<" " << std::hexfloat << local << "-> "<< result <<std::endl;
+    GridMPINormLogVector.push_back(result);
+    GridMPINormLoggingCounter++;
+  }
+  if(GridNormLoggingMode == GridNormLoggingModeVerify) {
+    std::cerr<<"GridMPINormLog : "<< GridMPINormLoggingCounter <<" " << std::hexfloat << local << "-> "<< result <<std::endl;
+    assert(GridMPINormLoggingCounter < GridMPINormLogVector.size());
+    if ( result != GridMPINormLogVector[GridMPINormLoggingCounter] ) {
+      fprintf(stderr,"%s:%d MPI_Allreduce did it again! Reproduce failure for norm %d/%zu glb %.16e lcl %.16e hist %.16e\n",
+	      GridHostname(),
+	      GlobalSharedMemory::WorldShmRank,
+	      GridMPINormLoggingCounter,GridMPINormLogVector.size(),
+	      result, local, GridMPINormLogVector[GridMPINormLoggingCounter]); fflush(stderr);
+      assert(0); // Force takedown of job
+    }
+    if ( GridMPINormLogVector.size()==GridMPINormLoggingCounter ) {
+      std::cout << " GridMPINormLogging : Verified entire sequence of "<<GridMPINormLoggingCounter<<" norms "<<std::endl;
+    }
+    GridMPINormLoggingCounter++;
+  }
+}
+
 int GridThread::_threads =1;
 int GridThread::_hyperthreads=1;
 int GridThread::_cores=1;
 
+char hostname[HOST_NAME_MAX+1];
 
+char *GridHostname(void)
+{
+  return hostname;
+}
 const Coordinate &GridDefaultLatt(void)     {return Grid_default_latt;};
 const Coordinate &GridDefaultMpi(void)      {return Grid_default_mpi;};
 const Coordinate GridDefaultSimd(int dims,int nsimd)
@@ -393,6 +525,8 @@ void Grid_init(int *argc,char ***argv)
   std::cout << GridLogMessage << "MPI is initialised and logging filters activated "<<std::endl;
   std::cout << GridLogMessage << "================================================ "<<std::endl;
 
+  gethostname(hostname, HOST_NAME_MAX+1);
+  std::cout << GridLogMessage << "This rank is running on host "<< hostname<<std::endl;
 
   /////////////////////////////////////////////////////////
   // Reporting

Grid/util/Init.h

@@ -34,6 +34,8 @@ NAMESPACE_BEGIN(Grid);
 void Grid_init(int *argc,char ***argv);
 void Grid_finalize(void);
 
+char * GridHostname(void);
+
 // internal, controled with --handle
 void Grid_sa_signal_handler(int sig,siginfo_t *si,void * ptr);
 void Grid_debug_handler_init(void);
@@ -68,5 +70,21 @@ void GridParseLayout(char **argv,int argc,
 void printHash(void);
 
 
+enum GridNormLoggingMode_t {
+  GridNormLoggingModeNone,
+  GridNormLoggingModePrint,
+  GridNormLoggingModeRecord,
+  GridNormLoggingModeVerify
+};
+//extern int GridNormLoggingMode;
+//extern int32_t GridNormLoggingCounter;
+//extern std::vector<double> GridNormLogVector;
+void SetGridNormLoggingModePrint(void);
+void SetGridNormLoggingModeRecord(void);
+void SetGridNormLoggingModeVerify(void);
+void SetGridNormLoggingMode(GridNormLoggingMode_t mode);
+void GridNormLog(double value,uint32_t csum);
+void GridMPINormLog(double lcl, double glbl);
+
 NAMESPACE_END(Grid);
 

HMC/FTHMC2p1f.cc

@@ -54,15 +54,16 @@ int main(int argc, char **argv)
   //  MD.name    = std::string("Force Gradient");
   typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
   MD.name    = std::string("MinimumNorm2");
-  MD.MDsteps = 12;
+  MD.MDsteps = 24;
   MD.trajL   = 1.0;
 
   HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = 0;
+  HMCparams.StartTrajectory  = 104;
   HMCparams.Trajectories     = 200;
   HMCparams.NoMetropolisUntil=  20;
   // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
-  HMCparams.StartingType     =std::string("HotStart");
+  //  HMCparams.StartingType     =std::string("HotStart");
+  HMCparams.StartingType     =std::string("CheckpointStart");
   HMCparams.MD = MD;
   HMCWrapper TheHMC(HMCparams);
 
@@ -87,6 +88,7 @@ int main(int argc, char **argv)
   // here there is too much indirection
   typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
   TheHMC.Resources.AddObservable<PlaqObs>();
+
   //////////////////////////////////////////////
 
   const int Ls      = 16;
@@ -134,7 +136,6 @@ int main(int argc, char **argv)
   ////////////////////////////////////
   ActionLevel<HMCWrapper::Field> Level1(1);
   ActionLevel<HMCWrapper::Field> Level2(2);
-  ActionLevel<HMCWrapper::Field> Level3(4);
 
   ////////////////////////////////////
   // Strange action
@@ -191,7 +192,7 @@ int main(int argc, char **argv)
   Smear_Stout<HMCWrapper::ImplPolicy> Stout(rho);
   SmearedConfigurationMasked<HMCWrapper::ImplPolicy> SmearingPolicy(GridPtr, Nstep, Stout);
   JacobianAction<HMCWrapper::ImplPolicy> Jacobian(&SmearingPolicy);
-  if( ApplySmearing ) Level2.push_back(&Jacobian);
+  if( ApplySmearing ) Level1.push_back(&Jacobian);
   std::cout << GridLogMessage << " Built the Jacobian "<< std::endl;
 
 
@@ -200,7 +201,7 @@ int main(int argc, char **argv)
   /////////////////////////////////////////////////////////////
   //  GaugeAction.is_smeared = ApplySmearing;
   GaugeAction.is_smeared = true;
-  Level3.push_back(&GaugeAction);
+  Level2.push_back(&GaugeAction);
 
   std::cout << GridLogMessage << " ************************************************"<< std::endl;
   std::cout << GridLogMessage << " Action complete -- NO FERMIONS FOR NOW -- FIXME"<< std::endl;
@@ -210,10 +211,11 @@ int main(int argc, char **argv)
 
 
   std::cout << GridLogMessage << " Running the FT HMC "<< std::endl;
-
   TheHMC.TheAction.push_back(Level1);
   TheHMC.TheAction.push_back(Level2);
-  TheHMC.TheAction.push_back(Level3);
+
+  TheHMC.ReadCommandLine(argc,argv);  // params on CML or from param file
+  TheHMC.initializeGaugeFieldAndRNGs(U);
 
   TheHMC.Run(SmearingPolicy); // for smearing
 

HMC/FTHMC2p1f_3GeV.cc

@@ -0,0 +1,226 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Copyright (C) 2023
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+#include <Grid/qcd/smearing/GaugeConfigurationMasked.h>
+#include <Grid/qcd/smearing/JacobianAction.h>
+
+using namespace Grid;
+
+int main(int argc, char **argv)
+{
+  std::cout << std::setprecision(12);
+  
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FermionImplPolicy;
+  typedef MobiusFermionD FermionAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+  typedef Grid::XmlReader       Serialiser;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
+  //  MD.name    = std::string("Leap Frog");
+  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
+  //  MD.name    = std::string("Force Gradient");
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = 24;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = 0;
+  HMCparams.Trajectories     = 200;
+  HMCparams.NoMetropolisUntil=  20;
+  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  //  HMCparams.StartingType     =std::string("HotStart");
+  HMCparams.StartingType     =std::string("ColdStart");
+  //  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_EODWF_lat";
+  CPparams.smeared_prefix = "ckpoint_EODWF_lat_smr";
+  CPparams.rng_prefix    = "ckpoint_EODWF_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.saveSmeared   = true;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+
+  //////////////////////////////////////////////
+
+  const int Ls      = 12;
+  Real beta         = 2.37;
+  Real light_mass   = 0.0047;
+  Real strange_mass = 0.0186;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD b   = 1.0; // Scale factor one, Shamir
+  RealD c   = 0.0;
+
+  OneFlavourRationalParams OFRp;
+  OFRp.lo       = 1.0e-2;
+  OFRp.hi       = 64;
+  OFRp.MaxIter  = 10000;
+  OFRp.tolerance= 1.0e-10;
+  OFRp.degree   = 14;
+  OFRp.precision= 40;
+
+  std::vector<Real> hasenbusch({ 0.05, 0.1, 0.25, 0.5 });
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+  LatticeGaugeField Uhot(GridPtr);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+
+  double StoppingCondition = 1e-10;
+  double MaxCGIterations = 30000;
+  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
+
+  bool ApplySmearing = true;
+  
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(2);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+
+  MobiusEOFAFermionD Strange_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionD Strange_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
+    EOFA(Strange_Op_L, Strange_Op_R, 
+	 CG,
+	 CG, CG,
+	 CG, CG, 
+	 OFRp, false);
+
+  EOFA.is_smeared = ApplySmearing;
+  Level1.push_back(&EOFA);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]);
+    light_num.push_back(hasenbusch[h]);
+  }
+  light_num.push_back(pv_mass);
+
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+    Quotients.push_back   (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
+  }
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    Quotients[h]->is_smeared = ApplySmearing;
+    Level1.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // lnDetJacobianAction
+  /////////////////////////////////////////////////////////////
+  double rho = 0.1;  // smearing parameter
+  int Nsmear = 1;    // number of smearing levels - must be multiple of 2Nd
+  int Nstep  = 8*Nsmear;    // number of smearing levels - must be multiple of 2Nd
+  Smear_Stout<HMCWrapper::ImplPolicy> Stout(rho);
+  SmearedConfigurationMasked<HMCWrapper::ImplPolicy> SmearingPolicy(GridPtr, Nstep, Stout);
+  JacobianAction<HMCWrapper::ImplPolicy> Jacobian(&SmearingPolicy);
+  if( ApplySmearing ) Level1.push_back(&Jacobian);
+  std::cout << GridLogMessage << " Built the Jacobian "<< std::endl;
+
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  GaugeAction.is_smeared = ApplySmearing;
+  Level2.push_back(&GaugeAction);
+
+  std::cout << GridLogMessage << " ************************************************"<< std::endl;
+  std::cout << GridLogMessage << " Action complete -- NO FERMIONS FOR NOW -- FIXME"<< std::endl;
+  std::cout << GridLogMessage << " ************************************************"<< std::endl;
+  std::cout << GridLogMessage <<  std::endl;
+  std::cout << GridLogMessage <<  std::endl;
+
+
+  std::cout << GridLogMessage << " Running the FT HMC "<< std::endl;
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+
+  TheHMC.ReadCommandLine(argc,argv);  // params on CML or from param file
+  TheHMC.initializeGaugeFieldAndRNGs(U);
+
+  TheHMC.Run(SmearingPolicy); // for smearing
+
+  Grid_finalize();
+} // main
+
+
+

HMC/HMC2p1f_3GeV.cc

@@ -0,0 +1,226 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Copyright (C) 2023
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+#include <Grid/qcd/smearing/GaugeConfigurationMasked.h>
+#include <Grid/qcd/smearing/JacobianAction.h>
+
+using namespace Grid;
+
+int main(int argc, char **argv)
+{
+  std::cout << std::setprecision(12);
+  
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FermionImplPolicy;
+  typedef MobiusFermionD FermionAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+  typedef Grid::XmlReader       Serialiser;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
+  //  MD.name    = std::string("Leap Frog");
+  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
+  //  MD.name    = std::string("Force Gradient");
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = 24;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = 0;
+  HMCparams.Trajectories     = 200;
+  HMCparams.NoMetropolisUntil=  20;
+  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  //  HMCparams.StartingType     =std::string("HotStart");
+  HMCparams.StartingType     =std::string("ColdStart");
+  //  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_EODWF_lat";
+  CPparams.smeared_prefix = "ckpoint_EODWF_lat_smr";
+  CPparams.rng_prefix    = "ckpoint_EODWF_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.saveSmeared   = true;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+
+  //////////////////////////////////////////////
+
+  const int Ls      = 12;
+  Real beta         = 2.37;
+  Real light_mass   = 0.0047;
+  Real strange_mass = 0.0186;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD b   = 1.0; // Scale factor one, Shamir
+  RealD c   = 0.0;
+
+  OneFlavourRationalParams OFRp;
+  OFRp.lo       = 1.0e-2;
+  OFRp.hi       = 64;
+  OFRp.MaxIter  = 10000;
+  OFRp.tolerance= 1.0e-10;
+  OFRp.degree   = 14;
+  OFRp.precision= 40;
+
+  std::vector<Real> hasenbusch({ 0.05, 0.1, 0.25, 0.5 });
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+  LatticeGaugeField Uhot(GridPtr);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+
+  double StoppingCondition = 1e-10;
+  double MaxCGIterations = 30000;
+  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
+
+  bool ApplySmearing = false;
+  
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(2);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+
+  MobiusEOFAFermionD Strange_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionD Strange_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
+    EOFA(Strange_Op_L, Strange_Op_R, 
+	 CG,
+	 CG, CG,
+	 CG, CG, 
+	 OFRp, false);
+
+  EOFA.is_smeared = ApplySmearing;
+  Level1.push_back(&EOFA);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]);
+    light_num.push_back(hasenbusch[h]);
+  }
+  light_num.push_back(pv_mass);
+
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+    Quotients.push_back   (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
+  }
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    Quotients[h]->is_smeared = ApplySmearing;
+    Level1.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // lnDetJacobianAction
+  /////////////////////////////////////////////////////////////
+  double rho = 0.1;  // smearing parameter
+  int Nsmear = 1;    // number of smearing levels - must be multiple of 2Nd
+  int Nstep  = 8*Nsmear;    // number of smearing levels - must be multiple of 2Nd
+  Smear_Stout<HMCWrapper::ImplPolicy> Stout(rho);
+  SmearedConfigurationMasked<HMCWrapper::ImplPolicy> SmearingPolicy(GridPtr, Nstep, Stout);
+  JacobianAction<HMCWrapper::ImplPolicy> Jacobian(&SmearingPolicy);
+  if( ApplySmearing ) Level1.push_back(&Jacobian);
+  std::cout << GridLogMessage << " Built the Jacobian "<< std::endl;
+
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  GaugeAction.is_smeared = ApplySmearing;
+  Level2.push_back(&GaugeAction);
+
+  std::cout << GridLogMessage << " ************************************************"<< std::endl;
+  std::cout << GridLogMessage << " Action complete -- NO FERMIONS FOR NOW -- FIXME"<< std::endl;
+  std::cout << GridLogMessage << " ************************************************"<< std::endl;
+  std::cout << GridLogMessage <<  std::endl;
+  std::cout << GridLogMessage <<  std::endl;
+
+
+  std::cout << GridLogMessage << " Running the FT HMC "<< std::endl;
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+
+  TheHMC.ReadCommandLine(argc,argv);  // params on CML or from param file
+  TheHMC.initializeGaugeFieldAndRNGs(U);
+
+  TheHMC.Run(SmearingPolicy); // for smearing
+
+  Grid_finalize();
+} // main
+
+
+

HMC/Mobius2p1f_DD_EOFA_96I_double.cc

@@ -0,0 +1,350 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./tests/Test_hmc_EODWFRatio.cc
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+Author: Guido Cossu <guido.cossu@ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+
+  CartesianCommunicator::BarrierWorld();
+  std::cout << GridLogMessage << " Clock skew check" <<std::endl;
+  
+  int threads = GridThread::GetThreads();
+
+   // Typedefs to simplify notation
+  typedef WilsonImplD FermionImplPolicy;
+  typedef MobiusFermionD FermionAction;
+  typedef MobiusEOFAFermionD FermionEOFAAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+  typedef Grid::XmlReader       Serialiser;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
+  //  MD.name    = std::string("Leap Frog");
+  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
+  MD.name    = std::string("Force Gradient");
+  //typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
+  // MD.name    = std::string("MinimumNorm2");
+  // TrajL = 2
+  // 4/2 => 0.6 dH
+  // 3/3 => 0.8 dH .. depth 3, slower
+  //MD.MDsteps =  4;
+  MD.MDsteps =  3;
+  MD.trajL   = 0.5;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = 1077;
+  HMCparams.Trajectories     = 1;
+  HMCparams.NoMetropolisUntil=  0;
+  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  //  HMCparams.StartingType     =std::string("ColdStart");
+  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_DDHMC_lat";
+  CPparams.rng_prefix    = "ckpoint_DDHMC_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+  std::cout << "loaded NERSC checpointer"<<std::endl;
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 12;
+  RealD M5  = 1.8;
+  RealD b   = 1.5;
+  RealD c   = 0.5;
+  Real beta         = 2.13;
+  //  Real light_mass   = 5.4e-4;
+  Real light_mass     = 7.8e-4;
+  Real light_mass_dir = 0.01;
+  Real strange_mass = 0.0362;
+  Real pv_mass      = 1.0;
+  std::vector<Real> hasenbusch({ 0.01, 0.045, 0.108, 0.25, 0.51 , pv_mass });
+  //  std::vector<Real> hasenbusch({ light_mass, 0.01, 0.045, 0.108, 0.25, 0.51 , pv_mass });
+  //  std::vector<Real> hasenbusch({ light_mass, 0.005, 0.0145, 0.045, 0.108, 0.25, 0.51 , pv_mass }); // Updated
+  //  std::vector<Real> hasenbusch({ light_mass, 0.0145, 0.045, 0.108, 0.25, 0.51 , 0.75 , pv_mass });
+
+  int SP_iters=9000;
+  
+  RationalActionParams OFRp; // Up/down
+  OFRp.lo       = 6.0e-5;
+  OFRp.hi       = 90.0;
+  OFRp.inv_pow  = 2;
+  OFRp.MaxIter  = SP_iters; // get most shifts by 2000, stop sharing space
+  OFRp.action_tolerance= 1.0e-8;
+  OFRp.action_degree   = 18;
+  OFRp.md_tolerance= 1.0e-7;
+  OFRp.md_degree   = 14;
+  //  OFRp.degree   = 20; converges
+  //  OFRp.degree   = 16;
+  OFRp.precision= 80;
+  OFRp.BoundsCheckFreq=0;
+  std::vector<RealD> ActionTolByPole({
+      //      1.0e-8,1.0e-8,1.0e-8,1.0e-8,
+      3.0e-7,1.0e-7,1.0e-8,1.0e-8,
+      1.0e-8,1.0e-8,1.0e-8,1.0e-8,
+      1.0e-8,1.0e-8,1.0e-8,1.0e-8,
+      1.0e-8,1.0e-8,1.0e-8,1.0e-8,
+      1.0e-8,1.0e-8
+    });
+  std::vector<RealD> MDTolByPole({
+      //      1.6e-5,5.0e-6,1.0e-6,3.0e-7, // soften convergence more more
+      //      1.0e-6,3.0e-7,1.0e-7,1.0e-7,
+      1.0e-5,1.0e-6,1.0e-7,1.0e-7, // soften convergence
+      1.0e-8,1.0e-8,1.0e-8,1.0e-8,
+      1.0e-8,1.0e-8,1.0e-8,1.0e-8,
+      1.0e-8,1.0e-8
+    });
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+
+  typedef SchurDiagMooeeOperator<FermionAction ,FermionField > LinearOperatorD;
+  typedef SchurDiagMooeeOperator<FermionEOFAAction ,FermionField > LinearOperatorEOFAD;
+
+  ////////////////////////////////////////////////////////////////
+  // Domain decomposed
+  ////////////////////////////////////////////////////////////////
+  Coordinate latt4  = GridPtr->GlobalDimensions();
+  Coordinate mpi    = GridPtr->ProcessorGrid();
+  Coordinate shm;
+
+  GlobalSharedMemory::GetShmDims(mpi,shm);
+  
+  Coordinate CommDim(Nd);
+  for(int d=0;d<Nd;d++) CommDim[d]= (mpi[d]/shm[d])>1 ? 1 : 0;
+
+  Coordinate NonDirichlet(Nd+1,0);
+  Coordinate Dirichlet(Nd+1,0);
+  Dirichlet[1] = CommDim[0]*latt4[0]/mpi[0] * shm[0];
+  Dirichlet[2] = CommDim[1]*latt4[1]/mpi[1] * shm[1];
+  Dirichlet[3] = CommDim[2]*latt4[2]/mpi[2] * shm[2];
+  Dirichlet[4] = CommDim[3]*latt4[3]/mpi[3] * shm[3];
+  //Dirichlet[1] = 0;
+  //Dirichlet[2] = 0;
+  //Dirichlet[3] = 0;
+
+  // 
+  Coordinate Block4(Nd);
+  Block4[0] = Dirichlet[1];
+  Block4[1] = Dirichlet[2];
+  Block4[2] = Dirichlet[3];
+  Block4[3] = Dirichlet[4];
+
+  int Width=4;
+  TheHMC.Resources.SetMomentumFilter(new DDHMCFilter<WilsonImplD::Field>(Block4,Width));
+
+  //////////////////////////
+  // Fermion Grids
+  //////////////////////////
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD  U(GridPtr); U=Zero();
+
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.ReadCommandLine(argc,argv);  // params on CML or from param file
+  TheHMC.initializeGaugeFieldAndRNGs(U);
+  std::cout << "loaded NERSC gauge field"<<std::endl;
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+  FermionAction::ImplParams ParamsDir(boundary);
+
+  Params.dirichlet=NonDirichlet;
+  ParamsDir.dirichlet=Dirichlet;
+  ParamsDir.partialDirichlet=0;
+  std::cout << GridLogMessage<< "Partial Dirichlet depth is "<<dwf_compressor_depth<<std::endl;
+
+  //  double StoppingCondition = 1e-14;
+  //  double MDStoppingCondition = 1e-9;
+  double StoppingCondition = 1e-8;
+  double MDStoppingCondition = 1e-8;
+  double MDStoppingConditionLoose = 1e-8;
+  double MDStoppingConditionStrange = 1e-8;
+  double MaxCGIterations = 300000;
+  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
+  ConjugateGradient<FermionField>  MDCG(MDStoppingCondition,MaxCGIterations);
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(3);
+  ActionLevel<HMCWrapper::Field> Level3(15);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionAction StrangeOp (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,strange_mass,M5,b,c, Params);
+  FermionAction StrangePauliVillarsOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,pv_mass,  M5,b,c, Params);
+
+  // Probably dominates the force - back to EOFA.
+  OneFlavourRationalParams SFRp;
+  SFRp.lo       = 0.1;
+  SFRp.hi       = 25.0;
+  SFRp.MaxIter  = 10000;
+  SFRp.tolerance= 1.0e-8;
+  SFRp.mdtolerance= 2.0e-6;
+  SFRp.degree   = 12;
+  SFRp.precision= 50;
+  
+  MobiusEOFAFermionD Strange_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionD Strange_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
+  ConjugateGradient<FermionField>      ActionCG(StoppingCondition,MaxCGIterations);
+  ConjugateGradient<FermionField>  DerivativeCG(MDStoppingCondition,MaxCGIterations);
+  LinearOperatorEOFAD Strange_LinOp_L (Strange_Op_L);
+  LinearOperatorEOFAD Strange_LinOp_R (Strange_Op_R);
+
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
+    EOFA(Strange_Op_L, Strange_Op_R, 
+	 ActionCG, 
+	 ActionCG, ActionCG,
+	 DerivativeCG, DerivativeCG,
+	 SFRp, true);
+  Level2.push_back(&EOFA);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+  std::vector<int> dirichlet_den;
+  std::vector<int> dirichlet_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);  dirichlet_den.push_back(0);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]); dirichlet_den.push_back(1);
+  }
+
+  for(int h=0;h<n_hasenbusch;h++){
+    light_num.push_back(hasenbusch[h]); dirichlet_num.push_back(1);
+  }
+  light_num.push_back(pv_mass);  dirichlet_num.push_back(0);
+
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
+  
+  std::vector<GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> *> Bdys;
+
+  typedef SchurDiagMooeeOperator<FermionAction ,FermionField > LinearOperatorD;
+  std::vector<LinearOperatorD *> LinOpD;
+  
+  for(int h=0;h<n_hasenbusch+1;h++){
+    std::cout << GridLogMessage
+	      << " 2f quotient Action ";
+    std::cout << "det D("<<light_den[h]<<")";
+    if ( dirichlet_den[h] ) std::cout << "^dirichlet    ";
+    std::cout << "/ det D("<<light_num[h]<<")";
+    if ( dirichlet_num[h] ) std::cout << "^dirichlet    ";
+    std::cout << std::endl;
+
+    FermionAction::ImplParams ParamsNum(boundary);
+    FermionAction::ImplParams ParamsDen(boundary);
+    
+    if ( dirichlet_num[h]==1) ParamsNum.dirichlet = Dirichlet;
+    else                      ParamsNum.dirichlet = NonDirichlet;
+
+    if ( dirichlet_den[h]==1) ParamsDen.dirichlet = Dirichlet;
+    else                      ParamsDen.dirichlet = NonDirichlet;
+
+    if ( dirichlet_num[h]==1) ParamsNum.partialDirichlet = 1;
+    else                      ParamsNum.partialDirichlet = 0;
+
+    if ( dirichlet_den[h]==1) ParamsDen.partialDirichlet = 1;
+    else                      ParamsDen.partialDirichlet = 0;
+    
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, ParamsNum));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, ParamsDen));
+
+    LinOpD.push_back(new LinearOperatorD(*Denominators[h]));
+
+    double conv  = MDStoppingCondition;
+    if (h<3) conv= MDStoppingConditionLoose; // Relax on first two hasenbusch factors
+    
+    if(h!=0) {
+      Quotients.push_back (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],MDCG,CG));
+    } else {
+      Bdys.push_back( new GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],OFRp));
+      Bdys.push_back( new GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],OFRp));
+    }
+  }
+  for(int h=0;h<Bdys.size();h++){
+    Bdys[h]->SetTolerances(ActionTolByPole,MDTolByPole);
+  }
+  int nquo=Quotients.size();
+  Level1.push_back(Bdys[0]);
+  Level1.push_back(Bdys[1]);
+  Level2.push_back(Quotients[0]);
+  for(int h=1;h<nquo-1;h++){
+    Level2.push_back(Quotients[h]);
+  }
+  Level2.push_back(Quotients[nquo-1]);
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level3.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  TheHMC.TheAction.push_back(Level3);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+  /////////////////////////////////////////////////////////////
+
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

HMC/Mobius2p1f_DD_EOFA_96I_mixed.cc

@@ -343,7 +343,7 @@ int main(int argc, char **argv) {
   // Probably dominates the force - back to EOFA.
   OneFlavourRationalParams SFRp;
   SFRp.lo       = 0.1;
-  SFRp.hi       = 25.0;
+  SFRp.hi       = 30.0;
   SFRp.MaxIter  = 10000;
   SFRp.tolerance= 1.0e-5;
   SFRp.mdtolerance= 2.0e-4;

HMC/Mobius2p1f_EOFA_96I_hmc.cc

@@ -128,7 +128,7 @@ template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, c
       ////////////////////////////////////////////////////////////////////////////////////
       // Make a mixed precision conjugate gradient
       ////////////////////////////////////////////////////////////////////////////////////
-#if 1
+#if 0
       RealD delta=1.e-4;
       std::cout << GridLogMessage << "Calling reliable update Conjugate Gradient" <<std::endl;
       ConjugateGradientReliableUpdate<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations*MaxOuterIterations,delta,SinglePrecGrid5,LinOpF,LinOpD);
@@ -180,7 +180,7 @@ int main(int argc, char **argv) {
   // 4/2 => 0.6 dH
   // 3/3 => 0.8 dH .. depth 3, slower
   //MD.MDsteps =  4;
-  MD.MDsteps =  14;
+  MD.MDsteps =  12;
   MD.trajL   = 0.5;
 
   HMCparameters HMCparams;
@@ -204,7 +204,7 @@ int main(int argc, char **argv) {
   TheHMC.Resources.LoadNerscCheckpointer(CPparams);
   std::cout << "loaded NERSC checpointer"<<std::endl;
   RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.serial_seeds = "1 2 3 4 5 6 7 8 9 10";
   RNGpar.parallel_seeds = "6 7 8 9 10";
   TheHMC.Resources.SetRNGSeeds(RNGpar);
 
@@ -218,15 +218,14 @@ int main(int argc, char **argv) {
   RealD M5  = 1.8;
   RealD b   = 1.5;
   RealD c   = 0.5;
-  Real beta         = 2.13;
+  RealD beta         = 2.13;
   //  Real light_mass   = 5.4e-4;
   Real light_mass     = 7.8e-4;
+  //  Real light_mass     = 7.8e-3;
   Real strange_mass = 0.0362;
   Real pv_mass      = 1.0;
-  //  std::vector<Real> hasenbusch({ 0.01, 0.045, 0.108, 0.25, 0.51 , pv_mass });
-  //  std::vector<Real> hasenbusch({ light_mass, 0.01, 0.045, 0.108, 0.25, 0.51 , pv_mass });
-  std::vector<Real> hasenbusch({ 0.005, 0.0145, 0.045, 0.108, 0.25, 0.51 }); // Updated
-  //  std::vector<Real> hasenbusch({ light_mass, 0.0145, 0.045, 0.108, 0.25, 0.51 , 0.75 , pv_mass });
+  std::vector<Real> hasenbusch({ 0.005, 0.0145, 0.045, 0.108, 0.25, 0.35 , 0.51, 0.6, 0.8 }); // Updated
+  //std::vector<Real> hasenbusch({ 0.0145, 0.045, 0.108, 0.25, 0.35 , 0.51, 0.6, 0.8 }); // Updated
 
   auto GridPtr   = TheHMC.Resources.GetCartesian();
   auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
@@ -277,20 +276,20 @@ int main(int argc, char **argv) {
 
   //  double StoppingCondition = 1e-14;
   //  double MDStoppingCondition = 1e-9;
-  double StoppingCondition = 1e-9;
-  double MDStoppingCondition = 1e-8;
-  double MDStoppingConditionLoose = 1e-8;
-  double MDStoppingConditionStrange = 1e-8;
-  double MaxCGIterations = 300000;
+  double StoppingCondition = 1e-14;
+  double MDStoppingCondition = 1e-9;
+  double MDStoppingConditionLoose = 1e-9;
+  double MDStoppingConditionStrange = 1e-9;
+  double MaxCGIterations = 50000;
   ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
   ConjugateGradient<FermionField>  MDCG(MDStoppingCondition,MaxCGIterations);
 
   ////////////////////////////////////
   // Collect actions
   ////////////////////////////////////
-  //  ActionLevel<HMCWrapper::Field> Level1(1);
-  ActionLevel<HMCWrapper::Field> Level2(1);
-  ActionLevel<HMCWrapper::Field> Level3(15);
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(2);
+  ActionLevel<HMCWrapper::Field> Level3(4);
 
   ////////////////////////////////////
   // Strange action
@@ -300,11 +299,11 @@ int main(int argc, char **argv) {
 
   // Probably dominates the force - back to EOFA.
   OneFlavourRationalParams SFRp;
-  SFRp.lo       = 0.1;
+  SFRp.lo       = 0.8;
   SFRp.hi       = 30.0;
   SFRp.MaxIter  = 10000;
-  SFRp.tolerance= 1.0e-8;
-  SFRp.mdtolerance= 2.0e-6;
+  SFRp.tolerance= 1.0e-12;
+  SFRp.mdtolerance= 1.0e-9;
   SFRp.degree   = 10;
   SFRp.precision= 50;
   
@@ -355,8 +354,10 @@ int main(int argc, char **argv) {
   ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
     EOFA(Strange_Op_L, Strange_Op_R, 
 	 ActionCG, 
-	 ActionCGL, ActionCGR,
-	 DerivativeCGL, DerivativeCGR,
+	 //	 ActionCGL, ActionCGR,
+	 //	 DerivativeCGL, DerivativeCGR,
+	 ActionCG, ActionCG,
+	 DerivativeCG, DerivativeCG,
 	 SFRp, true);
   Level2.push_back(&EOFA);
 
@@ -443,13 +444,14 @@ int main(int argc, char **argv) {
   }
   int nquo=Quotients.size();
   for(int h=0;h<nquo;h++){
-    Level2.push_back(Quotients[h]);
+    Level1.push_back(Quotients[h]);
   }
 
   /////////////////////////////////////////////////////////////
   // Gauge action
   /////////////////////////////////////////////////////////////
   Level3.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
   TheHMC.TheAction.push_back(Level2);
   TheHMC.TheAction.push_back(Level3);
   std::cout << GridLogMessage << " Action complete "<< std::endl;

HMC/Mobius2p1f_EOFA_96I_hmc_double.cc

@@ -0,0 +1,268 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./tests/Test_hmc_EODWFRatio.cc
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+Author: Guido Cossu <guido.cossu@ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+
+
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  std::cout << " Grid Initialise "<<std::endl;
+  
+  Grid_init(&argc, &argv);
+
+  CartesianCommunicator::BarrierWorld();
+  std::cout << GridLogMessage << " Clock skew check" <<std::endl;
+  
+  int threads = GridThread::GetThreads();
+
+   // Typedefs to simplify notation
+  typedef WilsonImplD FermionImplPolicy;
+  typedef MobiusFermionD FermionAction;
+  typedef MobiusEOFAFermionD FermionEOFAAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+  typedef WilsonImplF FermionImplPolicyF;
+  typedef MobiusFermionF FermionActionF;
+  typedef MobiusEOFAFermionF FermionEOFAActionF;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef Grid::XmlReader       Serialiser;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
+  //  MD.name    = std::string("Leap Frog");
+  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
+  MD.name    = std::string("Force Gradient");
+  //  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
+  //  MD.name    = std::string("MinimumNorm2");
+  // TrajL = 2
+  // 4/2 => 0.6 dH
+  // 3/3 => 0.8 dH .. depth 3, slower
+  //MD.MDsteps =  4;
+  MD.MDsteps =  8;
+  MD.trajL   = 0.5;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = 1077;
+  HMCparams.Trajectories     = 20;
+  HMCparams.NoMetropolisUntil=  0;
+  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  HMCparams.StartingType     =std::string("ColdStart");
+  //  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_HMC_lat";
+  CPparams.rng_prefix    = "ckpoint_HMC_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+  std::cout << "loaded NERSC checpointer"<<std::endl;
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5 6 7 8 9 10";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 12;
+  RealD M5  = 1.8;
+  RealD b   = 1.5;
+  RealD c   = 0.5;
+  RealD beta         = 2.13;
+  //  Real light_mass   = 5.4e-4;
+  Real light_mass     = 7.8e-4;
+  //  Real light_mass     = 7.8e-3;
+  Real strange_mass = 0.0362;
+  Real pv_mass      = 1.0;
+  std::vector<Real> hasenbusch({ 0.005, 0.0145, 0.045, 0.108, 0.25, 0.35 , 0.51, 0.6, 0.8 }); // Updated
+  //std::vector<Real> hasenbusch({ 0.0145, 0.045, 0.108, 0.25, 0.35 , 0.51, 0.6, 0.8 }); // Updated
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+
+  typedef SchurDiagMooeeOperator<FermionAction ,FermionField > LinearOperatorD;
+  typedef SchurDiagMooeeOperator<FermionEOFAAction ,FermionField > LinearOperatorEOFAD;
+
+  ////////////////////////////////////////////////////////////////
+  // Domain decomposed
+  ////////////////////////////////////////////////////////////////
+  Coordinate latt4  = GridPtr->GlobalDimensions();
+  Coordinate mpi    = GridPtr->ProcessorGrid();
+  Coordinate shm;
+
+  GlobalSharedMemory::GetShmDims(mpi,shm);
+
+  //////////////////////////
+  // Fermion Grids
+  //////////////////////////
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD  U(GridPtr); U=Zero();
+
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.ReadCommandLine(argc,argv);  // params on CML or from param file
+  TheHMC.initializeGaugeFieldAndRNGs(U);
+  std::cout << "loaded NERSC gauge field"<<std::endl;
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+
+  //  double StoppingCondition = 1e-14;
+  //  double MDStoppingCondition = 1e-9;
+  double StoppingCondition = 1e-14;
+  double MDStoppingCondition = 1e-9;
+  double MDStoppingConditionLoose = 1e-9;
+  double MDStoppingConditionStrange = 1e-9;
+  double MaxCGIterations = 50000;
+  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
+  ConjugateGradient<FermionField>  MDCG(MDStoppingCondition,MaxCGIterations);
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(2);
+  ActionLevel<HMCWrapper::Field> Level3(4);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionAction StrangeOp (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,strange_mass,M5,b,c, Params);
+  FermionAction StrangePauliVillarsOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,pv_mass,  M5,b,c, Params);
+
+  // Probably dominates the force - back to EOFA.
+  OneFlavourRationalParams SFRp;
+  SFRp.lo       = 0.8;
+  SFRp.hi       = 30.0;
+  SFRp.MaxIter  = 10000;
+  SFRp.tolerance= 1.0e-12;
+  SFRp.mdtolerance= 1.0e-9;
+  SFRp.degree   = 10;
+  SFRp.precision= 50;
+  
+  MobiusEOFAFermionD Strange_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionD Strange_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
+  ConjugateGradient<FermionField>      ActionCG(StoppingCondition,MaxCGIterations);
+  ConjugateGradient<FermionField>  DerivativeCG(MDStoppingCondition,MaxCGIterations);
+  LinearOperatorEOFAD Strange_LinOp_L (Strange_Op_L);
+  LinearOperatorEOFAD Strange_LinOp_R (Strange_Op_R);
+
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
+    EOFA(Strange_Op_L, Strange_Op_R, 
+	 ActionCG, 
+	 ActionCG, ActionCG,
+	 DerivativeCG, DerivativeCG,
+	 SFRp, true);
+  Level2.push_back(&EOFA);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass); 
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]);
+  }
+
+  for(int h=0;h<n_hasenbusch;h++){
+    light_num.push_back(hasenbusch[h]);
+  }
+  light_num.push_back(pv_mass);
+
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
+  
+  std::vector<OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> *> Bdys;
+
+  typedef SchurDiagMooeeOperator<FermionAction ,FermionField > LinearOperatorD;
+  std::vector<LinearOperatorD *> LinOpD;
+  
+  for(int h=0;h<n_hasenbusch+1;h++){
+    std::cout << GridLogMessage
+	      << " 2f quotient Action ";
+    std::cout << "det D("<<light_den[h]<<")";
+    std::cout << "/ det D("<<light_num[h]<<")";
+    std::cout << std::endl;
+
+    FermionAction::ImplParams ParamsNum(boundary);
+    FermionAction::ImplParams ParamsDen(boundary);
+    
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, ParamsNum));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, ParamsDen));
+
+    LinOpD.push_back(new LinearOperatorD(*Denominators[h]));
+
+    double conv  = MDStoppingCondition;
+    if (h<3) conv= MDStoppingConditionLoose; // Relax on first two hasenbusch factors
+    
+    Quotients.push_back (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],MDCG,CG,CG));
+  }
+  int nquo=Quotients.size();
+  for(int h=0;h<nquo;h++){
+    Level1.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level3.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  TheHMC.TheAction.push_back(Level3);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+  /////////////////////////////////////////////////////////////
+
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

MPI_benchmark/bench2.pbs

@@ -0,0 +1,22 @@
+#!/bin/bash
+#PBS -q EarlyAppAccess
+#PBS -l select=2
+#PBS -l walltime=01:00:00
+#PBS -A LatticeQCD_aesp_CNDA
+
+export TZ='/usr/share/zoneinfo/US/Central'
+export OMP_PROC_BIND=spread
+export OMP_NUM_THREADS=3
+unset OMP_PLACES
+
+cd $PBS_O_WORKDIR
+
+NNODES=`wc -l < $PBS_NODEFILE`
+NRANKS=12         # Number of MPI ranks per node
+NDEPTH=4          # Number of hardware threads per rank, spacing between MPI ranks on a node
+NTHREADS=$OMP_NUM_THREADS # Number of OMP threads per rank, given to OMP_NUM_THREADS
+
+NTOTRANKS=$(( NNODES * NRANKS ))
+
+CMD="mpiexec -np 2 -ppn 1  -envall ./gpu_tile_compact.sh ./halo_mpi --mpi 2.1.1.1"
+$CMD

MPI_benchmark/compile-command

@@ -0,0 +1 @@
+mpicxx  -fsycl halo_mpi.cc -o halo_mpi

MPI_benchmark/gpu_tile_compact.sh

@@ -0,0 +1,30 @@
+#!/bin/bash
+
+export NUMA_PMAP=(2 2 2 3 3 3 2 2 2 3 3 3 )
+export NUMA_MAP=(0 0 0 1 1 1 0 0 0 1 1 1 )
+export  GPU_MAP=(0 1 2 3 4 5 0 1 2 3 4 5 )
+export TILE_MAP=(0 0 0 0 0 0 1 1 1 1 1 1 )
+
+export PNUMA=${NUMA_PMAP[$PALS_LOCAL_RANKID]}
+export NUMA=${NUMA_MAP[$PALS_LOCAL_RANKID]}
+export gpu_id=${GPU_MAP[$PALS_LOCAL_RANKID]}
+export tile_id=${TILE_MAP[$PALS_LOCAL_RANKID]}
+  
+
+export ZE_AFFINITY_MASK=$gpu_id.$tile_id
+export ONEAPI_DEVICE_FILTER=gpu,level_zero
+
+#unset EnableWalkerPartition
+#export EnableImplicitScaling=0
+#export GRID_MPICH_NIC_BIND=$NIC
+#export ONEAPI_DEVICE_SELECTOR=level_zero:$gpu_id.$tile_id
+#export ZE_ENABLE_PCI_ID_DEVICE_ORDER=1
+#export SYCL_PI_LEVEL_ZERO_DEVICE_SCOPE_EVENTS=0
+#export SYCL_PI_LEVEL_ZERO_USE_IMMEDIATE_COMMANDLISTS=1
+#export SYCL_PI_LEVEL_ZERO_USE_COPY_ENGINE=0:2
+#export SYCL_PI_LEVEL_ZERO_USE_COPY_ENGINE_FOR_D2D_COPY=1
+#export SYCL_PI_LEVEL_ZERO_USM_RESIDENT=1
+
+echo "rank $PALS_RANKID ; local rank $PALS_LOCAL_RANKID ; ZE_AFFINITY_MASK=$ZE_AFFINITY_MASK ; NUMA $NUMA "
+
+numactl -m $PNUMA -N $NUMA  "$@"

MPI_benchmark/halo_mpi.cc

@@ -0,0 +1,333 @@
+#include <cassert>
+#include <complex>
+#include <memory>
+#include <vector>
+#include <algorithm>
+#include <array>
+#include <string>
+#include <stdio.h>
+#include <stdlib.h>
+#include <strings.h>
+#include <ctime>
+#include <sys/time.h>
+
+#include <mpi.h>
+
+/**************************************************************
+ * GPU - GPU memory cartesian halo exchange benchmark
+ * Config: what is the target
+ **************************************************************
+ */
+#undef ACC_CUDA
+#undef  ACC_HIP
+#define  ACC_SYCL
+#undef  ACC_NONE
+
+/**************************************************************
+ * Some MPI globals
+ **************************************************************
+ */
+MPI_Comm WorldComm;
+MPI_Comm WorldShmComm;
+
+int WorldSize;
+int WorldRank;
+
+int WorldShmSize;
+int WorldShmRank;
+
+/**************************************************************
+ * Allocate buffers on the GPU, SYCL needs an init call and context
+ **************************************************************
+ */
+#ifdef ACC_CUDA
+#include <cuda.h>
+void acceleratorInit(void){}
+void *acceleratorAllocDevice(size_t bytes)
+{
+  void *ptr=NULL;
+  auto err = cudaMalloc((void **)&ptr,bytes);
+  assert(err==cudaSuccess);
+  return ptr;
+}
+void acceleratorFreeDevice(void *ptr){  cudaFree(ptr);}
+#endif
+#ifdef ACC_HIP
+#include <hip/hip_runtime.h>
+void acceleratorInit(void){}
+inline void *acceleratorAllocDevice(size_t bytes)
+{
+  void *ptr=NULL;
+  auto err = hipMalloc((void **)&ptr,bytes);
+  if( err != hipSuccess ) {
+    ptr = (void *) NULL;
+    printf(" hipMalloc failed for %ld %s \n",bytes,hipGetErrorString(err));
+  }
+  return ptr;
+};
+inline void acceleratorFreeDevice(void *ptr){ auto r=hipFree(ptr);};
+#endif
+#ifdef ACC_SYCL
+#include <sycl/CL/sycl.hpp>
+#include <sycl/usm.hpp>
+cl::sycl::queue *theAccelerator;
+void acceleratorInit(void)
+{
+  int nDevices = 1;
+#if 1
+  cl::sycl::gpu_selector selector;
+  cl::sycl::device selectedDevice { selector };
+  theAccelerator = new sycl::queue (selectedDevice);
+#else
+  cl::sycl::device selectedDevice {cl::sycl::gpu_selector_v  };
+  theAccelerator = new sycl::queue (selectedDevice);
+#endif
+  auto name = theAccelerator->get_device().get_info<sycl::info::device::name>();
+  printf("AcceleratorSyclInit: Selected device is %s\n",name.c_str()); fflush(stdout);
+}
+inline void *acceleratorAllocDevice(size_t bytes){ return malloc_device(bytes,*theAccelerator);};
+inline void acceleratorFreeDevice(void *ptr){free(ptr,*theAccelerator);};
+#endif
+#ifdef ACC_NONE
+void acceleratorInit(void){}
+inline void *acceleratorAllocDevice(size_t bytes){ return malloc(bytes);};
+inline void acceleratorFreeDevice(void *ptr){free(ptr);};
+#endif
+
+
+/**************************************************************
+ * Microsecond timer
+ **************************************************************
+ */
+inline double usecond(void) {
+  struct timeval tv;
+  gettimeofday(&tv,NULL);
+  return 1.0e6*tv.tv_sec + 1.0*tv.tv_usec;
+}
+/**************************************************************
+ * Main benchmark routine
+ **************************************************************
+ */
+void Benchmark(int64_t L,std::vector<int> cart_geom,bool use_device,int ncall)
+{
+  int64_t words = 3*4*2;
+  int64_t face,vol;
+  int Nd=cart_geom.size();
+  
+  /**************************************************************
+   * L^Nd volume, L^(Nd-1) faces, 12 complex per site
+   * Allocate memory for these
+   **************************************************************
+   */
+  face=1; for( int d=0;d<Nd-1;d++) face = face*L;
+  vol=1;  for( int d=0;d<Nd;d++) vol = vol*L;
+
+  
+  std::vector<void *> send_bufs;
+  std::vector<void *> recv_bufs;
+  size_t vw = face*words;
+  size_t bytes = face*words*sizeof(double);
+
+  if ( use_device ) {
+    for(int d=0;d<2*Nd;d++){
+      send_bufs.push_back(acceleratorAllocDevice(bytes));
+      recv_bufs.push_back(acceleratorAllocDevice(bytes));
+    }
+  } else {
+    for(int d=0;d<2*Nd;d++){
+      send_bufs.push_back(malloc(bytes));
+      recv_bufs.push_back(malloc(bytes));
+    }
+  }
+  /*********************************************************
+   * Build cartesian communicator
+   *********************************************************
+   */
+  int ierr;
+  int rank;
+  std::vector<int> coor(Nd);
+  MPI_Comm communicator;
+  std::vector<int> periodic(Nd,1);
+  MPI_Cart_create(WorldComm,Nd,&cart_geom[0],&periodic[0],0,&communicator);
+  MPI_Comm_rank(communicator,&rank);
+  MPI_Cart_coords(communicator,rank,Nd,&coor[0]);
+
+  static int reported;
+  if ( ! reported ) { 
+    printf("World Rank %d Shm Rank %d CartCoor %d %d %d %d\n",WorldRank,WorldShmRank,
+	 coor[0],coor[1],coor[2],coor[3]); fflush(stdout);
+    reported =1 ;
+  }
+  /*********************************************************
+   * Perform halo exchanges
+   *********************************************************
+   */
+  for(int d=0;d<Nd;d++){
+    if ( cart_geom[d]>1 ) {
+      double t0=usecond();
+
+      int from,to;
+      
+      MPI_Barrier(communicator);
+      for(int n=0;n<ncall;n++){
+	
+	void *xmit = (void *)send_bufs[d];
+	void *recv = (void *)recv_bufs[d];
+	
+	ierr=MPI_Cart_shift(communicator,d,1,&from,&to);
+	assert(ierr==0);
+	
+	ierr=MPI_Sendrecv(xmit,bytes,MPI_CHAR,to,rank,
+			  recv,bytes,MPI_CHAR,from, from,
+			  communicator,MPI_STATUS_IGNORE);
+	assert(ierr==0);
+	
+	xmit = (void *)send_bufs[Nd+d];
+	recv = (void *)recv_bufs[Nd+d];
+	
+	ierr=MPI_Cart_shift(communicator,d,-1,&from,&to);
+	assert(ierr==0);
+	
+	ierr=MPI_Sendrecv(xmit,bytes,MPI_CHAR,to,rank,
+			  recv,bytes,MPI_CHAR,from, from,
+			  communicator,MPI_STATUS_IGNORE);
+	assert(ierr==0);
+      }
+      MPI_Barrier(communicator);
+
+      double t1=usecond();
+      
+      double dbytes    = bytes*WorldShmSize;
+      double xbytes    = dbytes*2.0*ncall;
+      double rbytes    = xbytes;
+      double bidibytes = xbytes+rbytes;
+
+      if ( ! WorldRank ) {
+	printf("\t%12ld\t %12ld %16.0lf\n",L,bytes,bidibytes/(t1-t0)); fflush(stdout);
+      }
+    }
+  }
+  /*********************************************************
+   * Free memory
+   *********************************************************
+   */
+  if ( use_device ) {
+    for(int d=0;d<2*Nd;d++){
+      acceleratorFreeDevice(send_bufs[d]);
+      acceleratorFreeDevice(recv_bufs[d]);
+    }
+  } else {
+    for(int d=0;d<2*Nd;d++){
+      free(send_bufs[d]);
+      free(recv_bufs[d]);
+    }
+  }
+
+}
+
+/**************************************
+ * Command line junk
+ **************************************/
+
+std::string CmdOptionPayload(char ** begin, char ** end, const std::string & option)
+{
+  char ** itr = std::find(begin, end, option);
+  if (itr != end && ++itr != end) {
+    std::string payload(*itr);
+    return payload;
+  }
+  return std::string("");
+}
+bool CmdOptionExists(char** begin, char** end, const std::string& option)
+{
+  return std::find(begin, end, option) != end;
+}
+void CmdOptionIntVector(const std::string &str,std::vector<int> & vec)
+{
+  vec.resize(0);
+  std::stringstream ss(str);
+  int i;
+  while (ss >> i){
+    vec.push_back(i);
+    if(std::ispunct(ss.peek()))
+      ss.ignore();
+  }
+  return;
+}
+/**************************************
+ * Command line junk
+ **************************************/
+int main(int argc, char **argv)
+{
+  std::string arg;
+
+  acceleratorInit();
+
+  MPI_Init(&argc,&argv);
+
+  WorldComm = MPI_COMM_WORLD;
+  
+  MPI_Comm_split_type(WorldComm, MPI_COMM_TYPE_SHARED, 0, MPI_INFO_NULL,&WorldShmComm);
+
+  MPI_Comm_rank(WorldComm     ,&WorldRank);
+  MPI_Comm_size(WorldComm     ,&WorldSize);
+
+  MPI_Comm_rank(WorldShmComm     ,&WorldShmRank);
+  MPI_Comm_size(WorldShmComm     ,&WorldShmSize);
+
+  if ( WorldSize/WorldShmSize > 2) {
+    printf("This benchmark is meant to run on at most two nodes only\n");
+  }
+
+  auto mpi =std::vector<int>({1,1,1,1});
+
+  if( CmdOptionExists(argv,argv+argc,"--mpi") ){
+    arg = CmdOptionPayload(argv,argv+argc,"--mpi");
+    CmdOptionIntVector(arg,mpi);
+  } else {
+    printf("Must specify --mpi <n1.n2.n3.n4> command line argument\n");
+    exit(0);
+  }
+
+  if( !WorldRank ) {
+    printf("***********************************\n");
+    printf("%d ranks\n",WorldSize); 
+    printf("%d ranks-per-node\n",WorldShmSize);
+    printf("%d nodes\n",WorldSize/WorldShmSize);fflush(stdout);
+    printf("Cartesian layout: ");
+    for(int d=0;d<mpi.size();d++){
+      printf("%d ",mpi[d]);
+    }
+    printf("\n");fflush(stdout);
+    printf("***********************************\n");
+  }
+
+  
+  if( !WorldRank ) {
+    printf("=========================================================\n");
+    printf("= Benchmarking HOST memory MPI performance               \n");
+    printf("=========================================================\n");fflush(stdout);
+    printf("= L\t pkt bytes\t MB/s           \n");
+    printf("=========================================================\n");fflush(stdout);
+  }
+
+  for(int L=16;L<=64;L+=4){
+    Benchmark(L,mpi,false,100);
+  }  
+
+  if( !WorldRank ) {
+    printf("=========================================================\n");
+    printf("= Benchmarking DEVICE memory MPI performance             \n");
+    printf("=========================================================\n");fflush(stdout);
+  }
+  for(int L=16;L<=64;L+=4){
+    Benchmark(L,mpi,true,100);
+  }  
+
+  if( !WorldRank ) {
+    printf("=========================================================\n");
+    printf("= DONE   \n");
+    printf("=========================================================\n");
+  }
+  MPI_Finalize();
+}

benchmarks/Benchmark_dwf_fp32.cc

@@ -90,11 +90,11 @@ int main (int argc, char ** argv)
   std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
 
   for(int d=0;d<Nd;d++) CommDim[d]= (mpi[d]/shm[d])>1 ? 1 : 0;
-  Dirichlet[0] = 0;
-  Dirichlet[1] = CommDim[0]*latt4[0]/mpi[0] * shm[0];
-  Dirichlet[2] = CommDim[1]*latt4[1]/mpi[1] * shm[1];
-  Dirichlet[3] = CommDim[2]*latt4[2]/mpi[2] * shm[2];
-  Dirichlet[4] = CommDim[3]*latt4[3]/mpi[3] * shm[3];
+  //  Dirichlet[0] = 0;
+  //  Dirichlet[1] = CommDim[0]*latt4[0]/mpi[0] * shm[0];
+  //  Dirichlet[2] = CommDim[1]*latt4[1]/mpi[1] * shm[1];
+  //  Dirichlet[3] = CommDim[2]*latt4[2]/mpi[2] * shm[2];
+  //  Dirichlet[4] = CommDim[3]*latt4[3]/mpi[3] * shm[3];
 
   Benchmark(Ls,Dirichlet);
 
@@ -105,11 +105,11 @@ int main (int argc, char ** argv)
   std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
 
   for(int d=0;d<Nd;d++) CommDim[d]= mpi[d]>1 ? 1 : 0;
-  Dirichlet[0] = 0;
-  Dirichlet[1] = CommDim[0]*latt4[0]/mpi[0];
-  Dirichlet[2] = CommDim[1]*latt4[1]/mpi[1];
-  Dirichlet[3] = CommDim[2]*latt4[2]/mpi[2];
-  Dirichlet[4] = CommDim[3]*latt4[3]/mpi[3];
+  //  Dirichlet[0] = 0;
+  //  Dirichlet[1] = CommDim[0]*latt4[0]/mpi[0];
+  //  Dirichlet[2] = CommDim[1]*latt4[1]/mpi[1];
+  //  Dirichlet[3] = CommDim[2]*latt4[2]/mpi[2];
+  //  Dirichlet[4] = CommDim[3]*latt4[3]/mpi[3];
   
   Benchmark(Ls,Dirichlet);
 
@@ -185,6 +185,7 @@ void Benchmark(int Ls, Coordinate Dirichlet)
   GaugeField Umu(UGrid);
   GaugeField UmuCopy(UGrid);
   SU<Nc>::HotConfiguration(RNG4,Umu);
+  //  SU<Nc>::ColdConfiguration(Umu);
   UmuCopy=Umu;
   std::cout << GridLogMessage << "Random gauge initialised " << std::endl;
 
@@ -307,6 +308,14 @@ void Benchmark(int Ls, Coordinate Dirichlet)
     if(( n2e>1.0e-4) ) {
       std::cout<<GridLogMessage << "WRONG RESULT" << std::endl;
       FGrid->Barrier();
+      std::cout<<GridLogMessage << "RESULT" << std::endl;
+      //      std::cout << result<<std::endl;
+      std::cout << norm2(result)<<std::endl;
+      std::cout<<GridLogMessage << "REF" << std::endl;
+      std::cout << norm2(ref)<<std::endl;
+      std::cout<<GridLogMessage << "ERR" << std::endl;
+      std::cout << norm2(err)<<std::endl;
+      FGrid->Barrier();
       exit(-1);
     }
     assert (n2e< 1.0e-4 );

benchmarks/Benchmark_usqcd.cc

@@ -0,0 +1,968 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./benchmarks/Benchmark_usqcd.cc
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/Grid.h>
+#include <Grid/algorithms/blas/BatchedBlas.h>
+
+using namespace Grid;
+
+std::vector<int> L_list;
+std::vector<int> Ls_list;
+std::vector<double> mflop_list;
+
+double mflop_ref;
+double mflop_ref_err;
+
+int NN_global;
+
+FILE * FP;
+
+struct time_statistics{
+  double mean;
+  double err;
+  double min;
+  double max;
+
+  void statistics(std::vector<double> v){
+      double sum = std::accumulate(v.begin(), v.end(), 0.0);
+      mean = sum / v.size();
+
+      std::vector<double> diff(v.size());
+      std::transform(v.begin(), v.end(), diff.begin(), [=](double x) { return x - mean; });
+      double sq_sum = std::inner_product(diff.begin(), diff.end(), diff.begin(), 0.0);
+      err = std::sqrt(sq_sum / (v.size()*(v.size() - 1)));
+
+      auto result = std::minmax_element(v.begin(), v.end());
+      min = *result.first;
+      max = *result.second;
+}
+};
+
+void comms_header(){
+  std::cout <<GridLogMessage << " L  "<<"\t"<<" Ls  "<<"\t"
+            <<"bytes\t MB/s uni  \t\t MB/s bidi "<<std::endl;
+};
+
+struct controls {
+  int Opt;
+  int CommsOverlap;
+  Grid::CartesianCommunicator::CommunicatorPolicy_t CommsAsynch;
+};
+
+class Benchmark {
+public:
+  static void Decomposition (void ) {
+
+    int threads = GridThread::GetThreads();
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "= Grid is setup to use "<<threads<<" threads"<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage<<"Grid Default Decomposition patterns\n";
+    std::cout<<GridLogMessage<<"\tOpenMP threads : "<<GridThread::GetThreads()<<std::endl;
+    std::cout<<GridLogMessage<<"\tMPI tasks      : "<<GridCmdVectorIntToString(GridDefaultMpi())<<std::endl;
+    std::cout<<GridLogMessage<<"\tvReal          : "<<sizeof(vReal )*8    <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vReal::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage<<"\tvRealF         : "<<sizeof(vRealF)*8    <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vRealF::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage<<"\tvRealD         : "<<sizeof(vRealD)*8    <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vRealD::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage<<"\tvComplex       : "<<sizeof(vComplex )*8 <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vComplex::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage<<"\tvComplexF      : "<<sizeof(vComplexF)*8 <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vComplexF::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage<<"\tvComplexD      : "<<sizeof(vComplexD)*8 <<"bits ; " <<GridCmdVectorIntToString(GridDefaultSimd(4,vComplexD::Nsimd()))<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+  }
+
+  static void Comms(void)
+  {
+    int Nloop=200;
+    int nmu=0;
+    int maxlat=32;
+
+    Coordinate simd_layout = GridDefaultSimd(Nd,vComplexD::Nsimd());
+    Coordinate mpi_layout  = GridDefaultMpi();
+
+    for(int mu=0;mu<Nd;mu++) if (mpi_layout[mu]>1) nmu++;
+
+    std::vector<double> t_time(Nloop);
+    time_statistics timestat;
+
+    std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "= Benchmarking threaded STENCIL halo exchange in "<<nmu<<" dimensions"<<std::endl;
+    std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+    comms_header();
+
+    fprintf(FP,"Communications\n\n");
+    fprintf(FP,"Packet bytes, direction, GB/s per node\n");
+    for(int lat=16;lat<=maxlat;lat+=8){
+      //      for(int Ls=8;Ls<=8;Ls*=2){
+      { int Ls=12;
+
+	Coordinate latt_size  ({lat*mpi_layout[0],
+	      lat*mpi_layout[1],
+	      lat*mpi_layout[2],
+	      lat*mpi_layout[3]});
+
+	GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
+	RealD Nrank = Grid._Nprocessors;
+	RealD Nnode = Grid.NodeCount();
+	RealD ppn = Nrank/Nnode;
+
+	std::vector<HalfSpinColourVectorD *> xbuf(8);
+	std::vector<HalfSpinColourVectorD *> rbuf(8);
+	//Grid.ShmBufferFreeAll();
+	uint64_t bytes=lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD);
+	for(int d=0;d<8;d++){
+	  xbuf[d] = (HalfSpinColourVectorD *)acceleratorAllocDevice(bytes);
+	  rbuf[d] = (HalfSpinColourVectorD *)acceleratorAllocDevice(bytes);
+	  //	  bzero((void *)xbuf[d],lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	  //	  bzero((void *)rbuf[d],lat*lat*lat*Ls*sizeof(HalfSpinColourVectorD));
+	}
+
+	//	int ncomm;
+	double dbytes;
+
+        for(int dir=0;dir<8;dir++) {
+	  int mu =dir % 4;
+	  if (mpi_layout[mu]>1 ) {
+
+	    std::vector<double> times(Nloop);
+	    for(int i=0;i<Nloop;i++){
+
+	      dbytes=0;	        
+	      double start=usecond();
+	      int xmit_to_rank;
+	      int recv_from_rank;
+
+	      if ( dir == mu ) { 
+		int comm_proc=1;
+		Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
+	      } else { 
+		int comm_proc = mpi_layout[mu]-1;
+		Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
+	      }
+	      Grid.SendToRecvFrom((void *)&xbuf[dir][0], xmit_to_rank,
+				  (void *)&rbuf[dir][0], recv_from_rank,
+				  bytes);
+	      dbytes+=bytes;
+	     
+	      double stop=usecond();
+	      t_time[i] = stop-start; // microseconds
+
+	    }
+	    timestat.statistics(t_time);
+	  
+	    dbytes=dbytes*ppn;
+	    double xbytes    = dbytes*0.5;
+	    double bidibytes = dbytes;
+	  
+	    std::cout<<GridLogMessage << lat<<"\t"<<Ls<<"\t "
+		     << bytes << " \t "
+		     <<xbytes/timestat.mean
+		     << "\t\t"
+		     << bidibytes/timestat.mean<< std::endl;
+	    fprintf(FP,"%ld, %d, %f\n",(long)bytes,dir,bidibytes/timestat.mean/1000.);
+	  }
+	}
+	for(int d=0;d<8;d++){
+	  acceleratorFreeDevice(xbuf[d]);
+	  acceleratorFreeDevice(rbuf[d]);
+	}
+      }
+    }
+    fprintf(FP,"\n\n");
+    
+    return;
+  }
+
+  
+  static void Memory(void)
+  {
+    const int Nvec=8;
+    typedef Lattice< iVector< vReal,Nvec> > LatticeVec;
+    typedef iVector<vReal,Nvec> Vec;
+
+    Coordinate simd_layout = GridDefaultSimd(Nd,vReal::Nsimd());
+    Coordinate mpi_layout  = GridDefaultMpi();
+
+    fprintf(FP,"Memory Bandwidth\n\n");
+    fprintf(FP,"Bytes, GB/s per node\n");
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "= Benchmarking a*x + y bandwidth"<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s"<<"\t\t"<<"Gflop/s"<<"\t\t seconds"<< "\t\tGB/s / node"<<std::endl;
+    std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
+  
+    //    uint64_t NP;
+    uint64_t NN;
+
+
+  uint64_t lmax=40;
+#define NLOOP (1000*lmax*lmax*lmax*lmax/lat/lat/lat/lat)
+
+    GridSerialRNG          sRNG;      sRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
+    for(int lat=8;lat<=lmax;lat+=8){
+
+      Coordinate latt_size  ({lat*mpi_layout[0],lat*mpi_layout[1],lat*mpi_layout[2],lat*mpi_layout[3]});
+      int64_t vol= latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
+
+      GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
+
+      //      NP= Grid.RankCount();
+      NN =Grid.NodeCount();
+
+      Vec rn ; random(sRNG,rn);
+
+      LatticeVec z(&Grid); z=Zero();
+      LatticeVec x(&Grid); x=Zero();
+      LatticeVec y(&Grid); y=Zero();
+      double a=2.0;
+
+      uint64_t Nloop=NLOOP;
+
+      double start=usecond();
+      for(int i=0;i<Nloop;i++){
+	z=a*x-y;
+      }
+      double stop=usecond();
+      double time = (stop-start)/Nloop*1000;
+     
+      double flops=vol*Nvec*2;// mul,add
+      double bytes=3.0*vol*Nvec*sizeof(Real);
+      std::cout<<GridLogMessage<<std::setprecision(3) 
+	       << lat<<"\t\t"<<bytes<<"   \t\t"<<bytes/time<<"\t\t"<<flops/time<<"\t\t"<<(stop-start)/1000./1000.
+	       << "\t\t"<< bytes/time/NN <<std::endl;
+
+      fprintf(FP,"%ld, %f\n",(long)bytes,bytes/time/NN);
+
+    }
+    fprintf(FP,"\n\n");
+  };
+
+
+  static void BLAS(void)
+  {
+    //int nbasis, int nrhs, int coarseVol
+    int  basis[] = { 16,32,64 };
+    int  rhs[]   = { 8,16,32 };
+    int  vol  = 4*4*4*4;
+
+    GridBLAS blas;
+    
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "= batched GEMM (double precision) "<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "  M  "<<"\t\t"<<"N"<<"\t\t\t"<<"K"<<"\t\t"<<"Gflop/s / rank (coarse mrhs)"<<std::endl;
+    std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
+  
+    fprintf(FP,"GEMM\n\n M, N, K, BATCH, GF/s per rank\n");
+
+    for(int b=0;b<3;b++){
+    for(int r=0;r<3;r++){
+      int M=basis[b];
+      int N=rhs[r];
+      int K=basis[b];
+      int BATCH=vol;
+      double p=blas.benchmark(M,N,K,BATCH);
+
+      fprintf(FP,"%d, %d, %d, %d, %f\n", M, N, K, BATCH, p);
+      
+      std::cout<<GridLogMessage<<std::setprecision(3) 
+	       << M<<"\t\t"<<N<<"\t\t"<<K<<"\t\t"<<BATCH<<"\t\t"<<p<<std::endl;
+    }}
+    std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
+    std::cout<<GridLogMessage << "  M  "<<"\t\t"<<"N"<<"\t\t\t"<<"K"<<"\t\t"<<"Gflop/s / rank (block project)"<<std::endl;
+    std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
+    for(int b=0;b<3;b++){
+    for(int r=0;r<3;r++){
+      int M=basis[b];
+      int N=rhs[r];
+      int K=vol;
+      int BATCH=vol;
+      double p=blas.benchmark(M,N,K,BATCH);
+
+      fprintf(FP,"%d, %d, %d, %d, %f\n", M, N, K, BATCH, p);
+      std::cout<<GridLogMessage<<std::setprecision(3) 
+	       << M<<"\t\t"<<N<<"\t\t"<<K<<"\t\t"<<BATCH<<"\t\t"<<p<<std::endl;
+    }}
+    std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
+    std::cout<<GridLogMessage << "  M  "<<"\t\t"<<"N"<<"\t\t\t"<<"K"<<"\t\t"<<"Gflop/s / rank (block promote)"<<std::endl;
+    std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
+    for(int b=0;b<3;b++){
+    for(int r=0;r<3;r++){
+      int M=rhs[r];
+      int N=vol;
+      int K=basis[b];
+      int BATCH=vol;
+      double p=blas.benchmark(M,N,K,BATCH);
+
+      fprintf(FP,"%d, %d, %d, %d, %f\n", M, N, K, BATCH, p);
+      std::cout<<GridLogMessage<<std::setprecision(3) 
+	       << M<<"\t\t"<<N<<"\t\t"<<K<<"\t\t"<<BATCH<<"\t\t"<<p<<std::endl;
+    }}
+    fprintf(FP,"\n\n\n");
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+  };
+  
+
+  static void SU4(void)
+  {
+    const int Nc4=4;
+    typedef Lattice< iMatrix< vComplexF,Nc4> > LatticeSU4;
+
+    Coordinate simd_layout = GridDefaultSimd(Nd,vComplexF::Nsimd());
+    Coordinate mpi_layout  = GridDefaultMpi();
+    
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "= Benchmarking z = y*x SU(4) bandwidth"<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s"<<"\t\t"<<"Gflop/s"<<"\t\t seconds"<< "\t\tGB/s / node"<<std::endl;
+    std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
+  
+    uint64_t NN;
+
+
+    uint64_t lmax=32;
+
+    GridSerialRNG          sRNG;      sRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
+    for(int lat=8;lat<=lmax;lat+=8){
+
+      Coordinate latt_size  ({lat*mpi_layout[0],lat*mpi_layout[1],lat*mpi_layout[2],lat*mpi_layout[3]});
+      int64_t vol= latt_size[0]*latt_size[1]*latt_size[2]*latt_size[3];
+
+      GridCartesian     Grid(latt_size,simd_layout,mpi_layout);
+
+      NN =Grid.NodeCount();
+
+
+      LatticeSU4 z(&Grid); z=Zero();
+      LatticeSU4 x(&Grid); x=Zero();
+      LatticeSU4 y(&Grid); y=Zero();
+      //      double a=2.0;
+
+      uint64_t Nloop=NLOOP;
+
+      double start=usecond();
+      for(int i=0;i<Nloop;i++){
+	z=x*y;
+      }
+      double stop=usecond();
+      double time = (stop-start)/Nloop*1000;
+     
+      double flops=vol*Nc4*Nc4*(6+(Nc4-1)*8);// mul,add
+      double bytes=3.0*vol*Nc4*Nc4*2*sizeof(RealF);
+      std::cout<<GridLogMessage<<std::setprecision(3) 
+	       << lat<<"\t\t"<<bytes<<"   \t\t"<<bytes/time<<"\t\t"<<flops/time<<"\t\t"<<(stop-start)/1000./1000.
+	       << "\t\t"<< bytes/time/NN <<std::endl;
+
+    }
+  };
+
+
+  static double DWF(int Ls,int L)
+  {
+    RealD mass=0.1;
+    RealD M5  =1.8;
+
+    double mflops;
+    double mflops_best = 0;
+    double mflops_worst= 0;
+    std::vector<double> mflops_all;
+
+    ///////////////////////////////////////////////////////
+    // Set/Get the layout & grid size
+    ///////////////////////////////////////////////////////
+    int threads = GridThread::GetThreads();
+    Coordinate mpi = GridDefaultMpi(); assert(mpi.size()==4);
+    Coordinate local({L,L,L,L});
+    Coordinate latt4({local[0]*mpi[0],local[1]*mpi[1],local[2]*mpi[2],local[3]*mpi[3]});
+
+    GridCartesian         * TmpGrid   = SpaceTimeGrid::makeFourDimGrid(latt4, 
+								       GridDefaultSimd(Nd,vComplex::Nsimd()),
+								       GridDefaultMpi());
+    uint64_t NP = TmpGrid->RankCount();
+    uint64_t NN = TmpGrid->NodeCount();
+    NN_global=NN;
+    uint64_t SHM=NP/NN;
+
+
+    ///////// Welcome message ////////////
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "Benchmark DWF on "<<L<<"^4 local volume "<<std::endl;
+    std::cout<<GridLogMessage << "* Nc             : "<<Nc<<std::endl;
+    std::cout<<GridLogMessage << "* Global volume  : "<<GridCmdVectorIntToString(latt4)<<std::endl;
+    std::cout<<GridLogMessage << "* Ls             : "<<Ls<<std::endl;
+    std::cout<<GridLogMessage << "* ranks          : "<<NP  <<std::endl;
+    std::cout<<GridLogMessage << "* nodes          : "<<NN  <<std::endl;
+    std::cout<<GridLogMessage << "* ranks/node     : "<<SHM <<std::endl;
+    std::cout<<GridLogMessage << "* ranks geom     : "<<GridCmdVectorIntToString(mpi)<<std::endl;
+    std::cout<<GridLogMessage << "* Using "<<threads<<" threads"<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+    ///////// Lattice Init ////////////
+    GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(latt4, GridDefaultSimd(Nd,vComplexF::Nsimd()),GridDefaultMpi());
+    GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
+    GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
+    GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
+
+    
+    ///////// RNG Init ////////////
+    std::vector<int> seeds4({1,2,3,4});
+    std::vector<int> seeds5({5,6,7,8});
+    GridParallelRNG          RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
+    GridParallelRNG          RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
+    std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
+
+    typedef DomainWallFermionF Action;
+    typedef typename Action::FermionField Fermion;
+    typedef LatticeGaugeFieldF Gauge;
+    
+    ///////// Source preparation ////////////
+    Gauge Umu(UGrid);  SU<Nc>::HotConfiguration(RNG4,Umu); 
+    Fermion src   (FGrid); random(RNG5,src);
+    Fermion src_e (FrbGrid);
+    Fermion src_o (FrbGrid);
+    Fermion r_e   (FrbGrid);
+    Fermion r_o   (FrbGrid);
+    Fermion r_eo  (FGrid);
+    Action Dw(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+
+    {
+
+      pickCheckerboard(Even,src_e,src);
+      pickCheckerboard(Odd,src_o,src);
+
+#ifdef AVX512
+      const int num_cases = 3;
+#else 
+      const int num_cases = 2;
+#endif      
+      std::string fmt("G/S/C ; G/O/C ; G/S/S ; G/O/S ");
+
+      controls Cases [] = {
+	{  WilsonKernelsStatic::OptGeneric   ,  WilsonKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicyConcurrent },
+	{  WilsonKernelsStatic::OptHandUnroll,  WilsonKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicyConcurrent },
+	{  WilsonKernelsStatic::OptInlineAsm ,  WilsonKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicyConcurrent }
+      }; 
+
+      for(int c=0;c<num_cases;c++) {
+	
+	WilsonKernelsStatic::Comms = Cases[c].CommsOverlap;
+	WilsonKernelsStatic::Opt   = Cases[c].Opt;
+	CartesianCommunicator::SetCommunicatorPolicy(Cases[c].CommsAsynch);
+
+	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+	if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using GENERIC Nc WilsonKernels" <<std::endl;
+	if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using ASM      WilsonKernels" <<std::endl;
+	if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptHandUnroll) std::cout << GridLogMessage<< "* Using UNROLLED WilsonKernels" <<std::endl;
+	if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) std::cout << GridLogMessage<< "* Using Overlapped Comms/Compute" <<std::endl;
+	if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute) std::cout << GridLogMessage<< "* Using sequential Comms/Compute" <<std::endl;
+	std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
+	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+	int nwarm = 10;
+	double t0=usecond();
+	FGrid->Barrier();
+	for(int i=0;i<nwarm;i++){
+	  Dw.DhopEO(src_o,r_e,DaggerNo);
+	}
+	FGrid->Barrier();
+	double t1=usecond();
+	uint64_t ncall = 500;
+
+	FGrid->Broadcast(0,&ncall,sizeof(ncall));
+
+	//	std::cout << GridLogMessage << " Estimate " << ncall << " calls per second"<<std::endl;
+
+	time_statistics timestat;
+	std::vector<double> t_time(ncall);
+	for(uint64_t i=0;i<ncall;i++){
+	  t0=usecond();
+	  Dw.DhopEO(src_o,r_e,DaggerNo);
+	  t1=usecond();
+	  t_time[i] = t1-t0;
+	}
+	FGrid->Barrier();
+	
+	double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
+
+	// Nc=3 gives
+	// 1344= 3*(2*8+6)*2*8 + 8*3*2*2 + 3*4*2*8
+	// 1344 = Nc* (6+(Nc-1)*8)*2*Nd + Nd*Nc*2*2  + Nd*Nc*Ns*2
+	//	double flops=(1344.0*volume)/2;
+	double fps = Nc* (6+(Nc-1)*8)*Ns*Nd + 2*Nd*Nc*Ns  + 2*Nd*Nc*Ns*2;
+
+	double flops=(fps*volume)/2;
+	double mf_hi, mf_lo, mf_err;
+
+	timestat.statistics(t_time);
+	mf_hi = flops/timestat.min;
+	mf_lo = flops/timestat.max;
+	mf_err= flops/timestat.min * timestat.err/timestat.mean;
+
+	mflops = flops/timestat.mean;
+	mflops_all.push_back(mflops);
+	if ( mflops_best == 0   ) mflops_best = mflops;
+	if ( mflops_worst== 0   ) mflops_worst= mflops;
+	if ( mflops>mflops_best ) mflops_best = mflops;
+	if ( mflops<mflops_worst) mflops_worst= mflops;
+
+	std::cout<<GridLogMessage<< "Deo FlopsPerSite is "<<fps<<std::endl;
+	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Deo mflop/s =   "<< mflops << " ("<<mf_err<<") " << mf_lo<<"-"<<mf_hi <<std::endl;
+	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Deo mflop/s per rank   "<< mflops/NP<<std::endl;
+	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Deo mflop/s per node   "<< mflops/NN<<std::endl;
+
+      }
+
+      std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+      std::cout<<GridLogMessage << L<<"^4 x "<<Ls<< " Deo Best  mflop/s        =   "<< mflops_best << " ; " << mflops_best/NN<<" per node " <<std::endl;
+      std::cout<<GridLogMessage << L<<"^4 x "<<Ls<< " Deo Worst mflop/s        =   "<< mflops_worst<< " ; " << mflops_worst/NN<<" per node " <<std::endl;
+      std::cout<<GridLogMessage <<fmt << std::endl;
+      std::cout<<GridLogMessage ;
+
+      for(int i=0;i<mflops_all.size();i++){
+	std::cout<<mflops_all[i]/NN<<" ; " ;
+      }
+      std::cout<<std::endl;
+      std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+    }
+    return mflops_best;
+  }
+
+
+  static double Staggered(int L)
+  {
+    double mflops;
+    double mflops_best = 0;
+    double mflops_worst= 0;
+    std::vector<double> mflops_all;
+
+    ///////////////////////////////////////////////////////
+    // Set/Get the layout & grid size
+    ///////////////////////////////////////////////////////
+    int threads = GridThread::GetThreads();
+    Coordinate mpi = GridDefaultMpi(); assert(mpi.size()==4);
+    Coordinate local({L,L,L,L});
+    Coordinate latt4({local[0]*mpi[0],local[1]*mpi[1],local[2]*mpi[2],local[3]*mpi[3]});
+    
+    GridCartesian         * TmpGrid   = SpaceTimeGrid::makeFourDimGrid(latt4,
+								       GridDefaultSimd(Nd,vComplex::Nsimd()),
+								       GridDefaultMpi());
+    uint64_t NP = TmpGrid->RankCount();
+    uint64_t NN = TmpGrid->NodeCount();
+    NN_global=NN;
+    uint64_t SHM=NP/NN;
+
+
+    ///////// Welcome message ////////////
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "Benchmark ImprovedStaggered on "<<L<<"^4 local volume "<<std::endl;
+    std::cout<<GridLogMessage << "* Global volume  : "<<GridCmdVectorIntToString(latt4)<<std::endl;
+    std::cout<<GridLogMessage << "* ranks          : "<<NP  <<std::endl;
+    std::cout<<GridLogMessage << "* nodes          : "<<NN  <<std::endl;
+    std::cout<<GridLogMessage << "* ranks/node     : "<<SHM <<std::endl;
+    std::cout<<GridLogMessage << "* ranks geom     : "<<GridCmdVectorIntToString(mpi)<<std::endl;
+    std::cout<<GridLogMessage << "* Using "<<threads<<" threads"<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+    ///////// Lattice Init ////////////
+    GridCartesian         * FGrid   = SpaceTimeGrid::makeFourDimGrid(latt4, GridDefaultSimd(Nd,vComplexF::Nsimd()),GridDefaultMpi());
+    GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(FGrid);
+    
+    ///////// RNG Init ////////////
+    std::vector<int> seeds4({1,2,3,4});
+    GridParallelRNG          RNG4(FGrid);  RNG4.SeedFixedIntegers(seeds4);
+    std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
+
+    RealD mass=0.1;
+    RealD c1=9.0/8.0;
+    RealD c2=-1.0/24.0;
+    RealD u0=1.0;
+
+    typedef ImprovedStaggeredFermionF Action;
+    typedef typename Action::FermionField Fermion; 
+    typedef LatticeGaugeFieldF Gauge;
+    
+    Gauge Umu(FGrid);  SU<Nc>::HotConfiguration(RNG4,Umu); 
+
+    typename Action::ImplParams params;
+    Action Ds(Umu,Umu,*FGrid,*FrbGrid,mass,c1,c2,u0,params);
+
+    ///////// Source preparation ////////////
+    Fermion src   (FGrid); random(RNG4,src);
+    Fermion src_e (FrbGrid);
+    Fermion src_o (FrbGrid);
+    Fermion r_e   (FrbGrid);
+    Fermion r_o   (FrbGrid);
+    Fermion r_eo  (FGrid);
+  
+    {
+
+      pickCheckerboard(Even,src_e,src);
+      pickCheckerboard(Odd,src_o,src);
+    
+      const int num_cases = 2;
+      std::string fmt("G/S/C ; G/O/C ; G/S/S ; G/O/S ");
+      
+      controls Cases [] = {
+	{  StaggeredKernelsStatic::OptGeneric   ,  StaggeredKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicyConcurrent  },
+	{  StaggeredKernelsStatic::OptHandUnroll,  StaggeredKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicyConcurrent  },
+	{  StaggeredKernelsStatic::OptInlineAsm ,  StaggeredKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicyConcurrent  }
+      }; 
+
+      for(int c=0;c<num_cases;c++) {
+	
+	StaggeredKernelsStatic::Comms = Cases[c].CommsOverlap;
+	StaggeredKernelsStatic::Opt   = Cases[c].Opt;
+	CartesianCommunicator::SetCommunicatorPolicy(Cases[c].CommsAsynch);
+      
+	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+	if ( StaggeredKernelsStatic::Opt == StaggeredKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using GENERIC Nc StaggeredKernels" <<std::endl;
+	std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
+	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+	
+	int nwarm = 10;
+	double t0=usecond();
+	FGrid->Barrier();
+	for(int i=0;i<nwarm;i++){
+	  Ds.DhopEO(src_o,r_e,DaggerNo);
+	}
+	FGrid->Barrier();
+	double t1=usecond();
+	uint64_t ncall = 500;
+
+	FGrid->Broadcast(0,&ncall,sizeof(ncall));
+
+	//	std::cout << GridLogMessage << " Estimate " << ncall << " calls per second"<<std::endl;
+
+	time_statistics timestat;
+	std::vector<double> t_time(ncall);
+	for(uint64_t i=0;i<ncall;i++){
+	  t0=usecond();
+	  Ds.DhopEO(src_o,r_e,DaggerNo);
+	  t1=usecond();
+	  t_time[i] = t1-t0;
+	}
+	FGrid->Barrier();
+	
+	double volume=1;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
+	double flops=(1146.0*volume)/2;
+	double mf_hi, mf_lo, mf_err;
+	
+	timestat.statistics(t_time);
+	mf_hi = flops/timestat.min;
+	mf_lo = flops/timestat.max;
+	mf_err= flops/timestat.min * timestat.err/timestat.mean;
+
+	mflops = flops/timestat.mean;
+	mflops_all.push_back(mflops);
+	if ( mflops_best == 0   ) mflops_best = mflops;
+	if ( mflops_worst== 0   ) mflops_worst= mflops;
+	if ( mflops>mflops_best ) mflops_best = mflops;
+	if ( mflops<mflops_worst) mflops_worst= mflops;
+	
+	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Deo mflop/s =   "<< mflops << " ("<<mf_err<<") " << mf_lo<<"-"<<mf_hi <<std::endl;
+	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Deo mflop/s per rank   "<< mflops/NP<<std::endl;
+	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Deo mflop/s per node   "<< mflops/NN<<std::endl;
+      
+      }
+
+      std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+      std::cout<<GridLogMessage << L<<"^4  Deo Best  mflop/s        =   "<< mflops_best << " ; " << mflops_best/NN<<" per node " <<std::endl;
+      std::cout<<GridLogMessage << L<<"^4  Deo Worst mflop/s        =   "<< mflops_worst<< " ; " << mflops_worst/NN<<" per node " <<std::endl;
+      std::cout<<GridLogMessage <<fmt << std::endl;
+      std::cout<<GridLogMessage ;
+
+      for(int i=0;i<mflops_all.size();i++){
+	std::cout<<mflops_all[i]/NN<<" ; " ;
+      }
+      std::cout<<std::endl;
+    }
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    return mflops_best;
+  }
+
+  static double Clover(int L)
+  {
+    double mflops;
+    double mflops_best = 0;
+    double mflops_worst= 0;
+    std::vector<double> mflops_all;
+
+    ///////////////////////////////////////////////////////
+    // Set/Get the layout & grid size
+    ///////////////////////////////////////////////////////
+    int threads = GridThread::GetThreads();
+    Coordinate mpi = GridDefaultMpi(); assert(mpi.size()==4);
+    Coordinate local({L,L,L,L});
+    Coordinate latt4({local[0]*mpi[0],local[1]*mpi[1],local[2]*mpi[2],local[3]*mpi[3]});
+    
+    GridCartesian         * TmpGrid   = SpaceTimeGrid::makeFourDimGrid(latt4,
+								       GridDefaultSimd(Nd,vComplex::Nsimd()),
+								       GridDefaultMpi());
+    uint64_t NP = TmpGrid->RankCount();
+    uint64_t NN = TmpGrid->NodeCount();
+    NN_global=NN;
+    uint64_t SHM=NP/NN;
+
+
+    ///////// Welcome message ////////////
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << "Benchmark Clover on "<<L<<"^4 local volume "<<std::endl;
+    std::cout<<GridLogMessage << "* Global volume  : "<<GridCmdVectorIntToString(latt4)<<std::endl;
+    std::cout<<GridLogMessage << "* ranks          : "<<NP  <<std::endl;
+    std::cout<<GridLogMessage << "* nodes          : "<<NN  <<std::endl;
+    std::cout<<GridLogMessage << "* ranks/node     : "<<SHM <<std::endl;
+    std::cout<<GridLogMessage << "* ranks geom     : "<<GridCmdVectorIntToString(mpi)<<std::endl;
+    std::cout<<GridLogMessage << "* Using "<<threads<<" threads"<<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+    ///////// Lattice Init ////////////
+    GridCartesian         * FGrid   = SpaceTimeGrid::makeFourDimGrid(latt4, GridDefaultSimd(Nd,vComplexF::Nsimd()),GridDefaultMpi());
+    GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(FGrid);
+    
+    ///////// RNG Init ////////////
+    std::vector<int> seeds4({1,2,3,4});
+    GridParallelRNG          RNG4(FGrid);  RNG4.SeedFixedIntegers(seeds4);
+    std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
+
+    RealD mass=0.1;
+    RealD csw=1.0;
+
+    typedef WilsonCloverFermionF Action;
+    typedef typename Action::FermionField Fermion; 
+    typedef LatticeGaugeFieldF Gauge;
+    
+    Gauge Umu(FGrid);  SU<Nc>::HotConfiguration(RNG4,Umu); 
+
+    Action Dc(Umu,*FGrid,*FrbGrid,mass,csw,csw);
+
+    ///////// Source preparation ////////////
+    Fermion src   (FGrid); random(RNG4,src);
+    Fermion r     (FGrid);
+  
+    {
+
+      const int num_cases = 1;
+      std::string fmt("G/S/C ; G/O/C ; G/S/S ; G/O/S ");
+      
+      controls Cases [] = {
+	{  WilsonKernelsStatic::OptGeneric   ,  WilsonKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicyConcurrent  },
+      }; 
+
+      for(int c=0;c<num_cases;c++) {
+	
+	WilsonKernelsStatic::Comms = Cases[c].CommsOverlap;
+	WilsonKernelsStatic::Opt   = Cases[c].Opt;
+	CartesianCommunicator::SetCommunicatorPolicy(Cases[c].CommsAsynch);
+      
+	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+	std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
+	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+	
+	int nwarm = 10;
+	double t0=usecond();
+	FGrid->Barrier();
+	for(int i=0;i<nwarm;i++){
+	  Dc.M(src,r);
+	}
+	FGrid->Barrier();
+	double t1=usecond();
+	uint64_t ncall = 500;
+
+	FGrid->Broadcast(0,&ncall,sizeof(ncall));
+
+	//	std::cout << GridLogMessage << " Estimate " << ncall << " calls per second"<<std::endl;
+
+	time_statistics timestat;
+	std::vector<double> t_time(ncall);
+	for(uint64_t i=0;i<ncall;i++){
+	  t0=usecond();
+	  Dc.M(src,r);
+	  t1=usecond();
+	  t_time[i] = t1-t0;
+	}
+	FGrid->Barrier();
+	
+	double volume=1;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
+	double flops=(1344+ 24+6*6*8*2)*volume;
+	double mf_hi, mf_lo, mf_err;
+	
+	timestat.statistics(t_time);
+	mf_hi = flops/timestat.min;
+	mf_lo = flops/timestat.max;
+	mf_err= flops/timestat.min * timestat.err/timestat.mean;
+
+	mflops = flops/timestat.mean;
+	mflops_all.push_back(mflops);
+	if ( mflops_best == 0   ) mflops_best = mflops;
+	if ( mflops_worst== 0   ) mflops_worst= mflops;
+	if ( mflops>mflops_best ) mflops_best = mflops;
+	if ( mflops<mflops_worst) mflops_worst= mflops;
+	
+	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Dclov mflop/s =   "<< mflops << " ("<<mf_err<<") " << mf_lo<<"-"<<mf_hi <<std::endl;
+	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Dclov mflop/s per rank   "<< mflops/NP<<std::endl;
+	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Dclov mflop/s per node   "<< mflops/NN<<std::endl;
+      
+      }
+
+      std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+      std::cout<<GridLogMessage << L<<"^4  Deo Best  mflop/s        =   "<< mflops_best << " ; " << mflops_best/NN<<" per node " <<std::endl;
+      std::cout<<GridLogMessage << L<<"^4  Deo Worst mflop/s        =   "<< mflops_worst<< " ; " << mflops_worst/NN<<" per node " <<std::endl;
+      std::cout<<GridLogMessage <<fmt << std::endl;
+      std::cout<<GridLogMessage ;
+
+      for(int i=0;i<mflops_all.size();i++){
+	std::cout<<mflops_all[i]/NN<<" ; " ;
+      }
+      std::cout<<std::endl;
+    }
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    return mflops_best;
+  }
+};
+
+
+
+
+int main (int argc, char ** argv)
+{
+  Grid_init(&argc,&argv);
+
+  if (GlobalSharedMemory::WorldRank==0) { 
+    FP = fopen("Benchmark_usqcd.csv","w");
+  } else {
+    FP = fopen("/dev/null","w");
+  }
+
+  CartesianCommunicator::SetCommunicatorPolicy(CartesianCommunicator::CommunicatorPolicySequential);
+  LebesgueOrder::Block = std::vector<int>({2,2,2,2});
+
+  Benchmark::Decomposition();
+
+  int do_su4=0;
+  int do_memory=1;
+  int do_comms =1;
+  int do_blas  =1;
+
+  int sel=4;
+  std::vector<int> L_list({8,12,16,24,32});
+  int selm1=sel-1;
+
+  std::vector<double> clover;
+  std::vector<double> dwf4;
+  std::vector<double> staggered;
+
+  int Ls=1;
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << " Clover dslash 4D vectorised (temporarily Wilson)" <<std::endl;
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+  for(int l=0;l<L_list.size();l++){
+    clover.push_back(Benchmark::DWF(1,L_list[l]));
+  }
+
+  Ls=12;
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << " Domain wall dslash 4D vectorised" <<std::endl;
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+  for(int l=0;l<L_list.size();l++){
+    double result = Benchmark::DWF(Ls,L_list[l]) ;
+    dwf4.push_back(result);
+  }
+
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << " Improved Staggered dslash 4D vectorised" <<std::endl;
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+  for(int l=0;l<L_list.size();l++){
+    double result = Benchmark::Staggered(L_list[l]) ;
+    staggered.push_back(result);
+  }
+
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << " Summary table Ls="<<Ls <<std::endl;
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << "L \t\t Clover \t\t DWF4 \t\t Staggered" <<std::endl;
+  for(int l=0;l<L_list.size();l++){
+    std::cout<<GridLogMessage << L_list[l] <<" \t\t "<< clover[l]<<" \t\t "<<dwf4[l] << " \t\t "<< staggered[l]<<std::endl;
+  }
+  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+  int NN=NN_global;
+  if ( do_memory ) {
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " Memory benchmark " <<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    Benchmark::Memory();
+  }
+
+  if ( do_blas ) {
+#if defined(GRID_CUDA) || defined(GRID_HIP)     || defined(GRID_SYCL)   
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " Batched BLAS benchmark " <<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    Benchmark::BLAS();
+#endif
+  }
+
+  if ( do_su4 ) {
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " SU(4) benchmark " <<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    Benchmark::SU4();
+  }
+  
+  if ( do_comms ) {
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " Communications benchmark " <<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    Benchmark::Comms();
+  }
+
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " Per Node Summary table Ls="<<Ls <<std::endl;
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " L \t\t Clover\t\t DWF4\t\t Staggered (GF/s per node)" <<std::endl;
+    fprintf(FP,"Per node summary table\n");
+    fprintf(FP,"\n");
+    fprintf(FP,"L , Wilson, DWF4, Staggered, GF/s per node\n");
+    fprintf(FP,"\n");
+    for(int l=0;l<L_list.size();l++){
+      std::cout<<GridLogMessage << L_list[l] <<" \t\t "<< clover[l]/NN<<" \t "<<dwf4[l]/NN<< " \t "<<staggered[l]/NN<<std::endl;
+      fprintf(FP,"%d , %.0f, %.0f, %.0f\n",L_list[l],clover[l]/NN/1000.,dwf4[l]/NN/1000.,staggered[l]/NN/1000.);
+    }
+    fprintf(FP,"\n");
+
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+    std::cout<<GridLogMessage << " Comparison point     result: "  << 0.5*(dwf4[sel]+dwf4[selm1])/NN << " Mflop/s per node"<<std::endl;
+    std::cout<<GridLogMessage << " Comparison point is 0.5*("<<dwf4[sel]/NN<<"+"<<dwf4[selm1]/NN << ") "<<std::endl;
+    std::cout<<std::setprecision(3);
+    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
+
+  Grid_finalize();
+  fclose(FP);
+}

bootstrap.sh

@@ -1,12 +1,12 @@
 #!/usr/bin/env bash
 set -e
 
-EIGEN_URL='https://gitlab.com/libeigen/eigen/-/archive/3.3.7/eigen-3.3.7.tar.bz2'
-EIGEN_SHA256SUM='685adf14bd8e9c015b78097c1dc22f2f01343756f196acdc76a678e1ae352e11'
+EIGEN_URL='https://gitlab.com/libeigen/eigen/-/archive/3.4.0/eigen-3.4.0.tar.bz2'
+EIGEN_SHA256SUM='b4c198460eba6f28d34894e3a5710998818515104d6e74e5cc331ce31e46e626'
 
 
 echo "-- deploying Eigen source..."
-ARC=`basename ${EIGEN_URL}`
+ARC=$(basename ${EIGEN_URL})
 wget ${EIGEN_URL} --no-check-certificate
 if command -v sha256sum; then
    echo "$EIGEN_SHA256SUM  $(basename "$EIGEN_URL")" \
@@ -14,13 +14,8 @@ if command -v sha256sum; then
 else
    echo "WARNING: could not verify checksum, please install sha256sum" >&2
 fi
-./scripts/update_eigen.sh ${ARC}
-rm ${ARC}
-# patch for non-portable includes in Eigen 3.3.5
-# apparently already fixed in Eigen HEAD so it should not be 
-# a problem in the future (A.P.)
-patch Eigen/unsupported/Eigen/CXX11/Tensor scripts/eigen-3.3.5.Tensor.patch
-
+./scripts/update_eigen.sh "${ARC}"
+rm "${ARC}"
 echo '-- generating Make.inc files...'
 ./scripts/filelist
 echo '-- generating configure script...'

examples/Example_plaquette.cc

@@ -0,0 +1,183 @@
+/* 
+ * Example_plaquette.cc                                                               
+ * 
+ * D. Clarke 
+ * 
+ * Here I just want to create an incredibly simple main to get started with GRID and get used
+ * to its syntax. If the reader is like me, they vaguely understand something about lattice coding,
+ * they don't know a ton of C++, don't know much of the fine details, and certainly know nothing about GRID.
+ *
+ * Once you've made a new executable, like this one, you can bootstrap.sh again. At this point,
+ * the code should be able to find your new executable. You can tell that bootstrap.sh worked by
+ * having a look at Make.inc. You should see your executable inside there.
+ *
+ * Warning: This code illustrative only, not well tested, and not meant for production use. The best
+ * way to read this code is to start at the main.
+ * 
+ */
+
+
+// All your mains should have this
+#include <Grid/Grid.h>
+using namespace Grid;
+
+
+// This copies what already exists in WilsonLoops.h. The point here is to be pedagogical and explain in
+// detail what everything does so we can see how GRID works.
+template <class Gimpl> class WLoops : public Gimpl {
+public:
+    // Gimpl seems to be an arbitrary class. Within this class, it is expected that certain types are
+    // already defined, things like Scalar and Field. This macro includes a bunch of #typedefs that
+    // implement this equivalence at compile time.
+    INHERIT_GIMPL_TYPES(Gimpl);
+
+    // Some example Gimpls can be found in GaugeImplementations.h, at the bottom. These are in turn built
+    // out of GaugeImplTypes, which can be found in GaugeImplTypes.h. The GaugeImplTypes contain the base
+    // field/vector/link/whatever types. These inherit from iScalar, iVector, and iMatrix objects, which
+    // are sort of the building blocks for gerenal math objects. The "i" at the beginning of these names
+    // indicates that they should be for internal use only. It seems like these base types have the
+    // acceleration, e.g. SIMD or GPU or what-have-you, abstracted away. How you accelerate these things
+    // appears to be controlled through a template parameter called vtype.
+
+    // The general math/physics objects, such as a color matrix, are built up by nesting these objects.
+    // For instance a general color matrix has two color indices, so it's built up like
+    //     iScalar<iScalar<iMatrix<vtype ...
+    // where the levels going from the inside out are color, spin, then Lorentz indices. Scalars have
+    // no indices, so it's what we use when such an index isn't needed. Lattice objects are made by one
+    // higher level of indexing using iVector.
+
+    // These types will be used for U and U_mu objects, respectively.
+    typedef typename Gimpl::GaugeLinkField GaugeMat;
+    typedef typename Gimpl::GaugeField GaugeLorentz;
+
+    // U_mu_nu(x)
+    static void dirPlaquette(GaugeMat &plaq, const std::vector<GaugeMat> &U, const int mu, const int nu) {
+        // Calls like CovShiftForward and CovShiftBackward have 3 arguments, and they multiply together
+        // the first and last argument. (Second arg gives the shift direction.) The CovShiftIdentityBackward
+        // has meanwhile only two arguments; it just returns the shifted (adjoint since backward) link. 
+        plaq = Gimpl::CovShiftForward(U[mu],mu,
+                   // Means Link*Cshift(field,mu,1), arguments are Link, mu, field in that order.
+                   Gimpl::CovShiftForward(U[nu],nu,
+                       Gimpl::CovShiftBackward(U[mu],mu,
+                           // This means Cshift(adj(Link), mu, -1)
+                           Gimpl::CovShiftIdentityBackward(U[nu], nu))));
+    }
+
+    // tr U_mu_nu(x)
+    static void traceDirPlaquette(ComplexField &plaq, const std::vector<GaugeMat> &U, const int mu, const int nu) {
+        // This .Grid() syntax seems to get the pointer to the GridBase. Apparently this is needed as argument
+        // to instantiate a Lattice object.
+        GaugeMat sp(U[0].Grid());
+        dirPlaquette(sp, U, mu, nu);
+        plaq = trace(sp);
+    }
+
+    // sum_mu_nu tr U_mu_nu(x)
+    static void sitePlaquette(ComplexField &Plaq, const std::vector<GaugeMat> &U) {
+        ComplexField sitePlaq(U[0].Grid());
+        Plaq = Zero();
+        // Nd=4 and Nc=3 are set as global constants in QCD.h
+        for (int mu = 1; mu < Nd; mu++) {
+            for (int nu = 0; nu < mu; nu++) {
+                traceDirPlaquette(sitePlaq, U, mu, nu);
+                Plaq = Plaq + sitePlaq;
+            }
+        }
+    }
+
+    // sum_mu_nu_x Re tr U_mu_nu(x)
+    static RealD sumPlaquette(const GaugeLorentz &Umu) {
+        std::vector<GaugeMat> U(Nd, Umu.Grid());
+        for (int mu = 0; mu < Nd; mu++) {
+            // Umu is a GaugeLorentz object, and as such has a non-trivial Lorentz index. We can
+            // access the element in the mu Lorentz index with this PeekIndex syntax.
+            U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
+        }
+        ComplexField Plaq(Umu.Grid());
+        sitePlaquette(Plaq, U);
+        // I guess this should be the line that sums over all space-time sites.
+        auto Tp = sum(Plaq);
+        // Until now, we have been working with objects inside the tensor nest. This TensorRemove gets
+        // rid of the tensor nest to return whatever is inside.
+        auto p  = TensorRemove(Tp);
+        return p.real();
+    }
+
+    // < Re tr U_mu_nu(x) >
+    static RealD avgPlaquette(const GaugeLorentz &Umu) {
+        // Real double type
+        RealD sumplaq = sumPlaquette(Umu);
+        // gSites() is the number of global sites. there is also lSites() for local sites.
+        double vol = Umu.Grid()->gSites();
+        // The number of orientations. 4*3/2=6 for Nd=4, as known.
+        double faces = (1.0 * Nd * (Nd - 1)) / 2.0;
+        return sumplaq / vol / faces / Nc;
+    }
+};
+
+
+// Next we show an example of how to construct an input parameter class. We first inherit
+// from Serializable. Then all class data members have to be defined using the
+// GRID_SERIALIZABLE_CLASS_MEMBERS macro. This variadic macro allows for arbitrarily many
+// class data members. In the below case, we make a parameter file holding the configuration
+// name. Here, it expects the name to be labeled with "conf_name" in the configuration file. 
+struct ConfParameters: Serializable {
+    GRID_SERIALIZABLE_CLASS_MEMBERS(
+        ConfParameters,
+        std::string, conf_name);
+
+    template <class ReaderClass>
+    ConfParameters(Reader<ReaderClass>& Reader){
+        // If we are reading an XML file, it should be structured like:
+        // <grid>
+        //   <parameters>
+        //     <conf_name>l20t20b06498a_nersc.302500</conf_name>
+        //   </parameters>
+        // </grid>
+        read(Reader, "parameters", *this);
+    }
+};
+
+
+
+// This syntax lets you pass command line arguments to main. An asterisk means that what follows is
+// a pointer. Two asterisks means what follows is a pointer to an array. 
+int main (int argc, char **argv)
+{
+    // This initializes Grid. Some command line options include
+    //   --mpi n.n.n.n
+    //   --threads n
+    //   --grid n.n.n.n
+    Grid_init(&argc, &argv);
+
+    // This is where you would specify a custom lattice size, if not from the command line. Here
+    // Nd is a global quantity that is currently set to 4.
+    Coordinate simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
+    Coordinate mpi_layout  = GridDefaultMpi();
+    Coordinate latt_size   = GridDefaultLatt();
+
+    // Instantiate the spacetime Grid on which everything will be built.
+    GridCartesian GRID(latt_size,simd_layout,mpi_layout);
+
+    // The PeriodicGimplD type is what you want for gauge matrices. There is also a LatticeGaugeFieldD
+    // type that you can use, which will work perfectly with what follows. 
+    PeriodicGimplD::Field U(&GRID);
+
+    // Here we read in the parameter file params.json to get conf_name. The last argument is what the
+    // top organizational level is called in the param file. 
+    XmlReader Reader("Example_plaquette.xml",false, "grid");
+    ConfParameters param(Reader);  
+
+    // Load a lattice from SIMULATeQCD into U. SIMULATeQCD finds plaquette = 0.6381995717
+    FieldMetaData header;
+    NerscIO::readConfiguration(U, header, param.conf_name);
+
+    // Let's see what we find.
+    RealD plaq = WLoops<PeriodicGimplD>::avgPlaquette(U);
+
+    // This is how you make log messages.
+    std::cout << GridLogMessage << std::setprecision(std::numeric_limits<Real>::digits10 + 1) << "Plaquette = " << plaq << std::endl;
+
+    // To wrap things up.
+    Grid_finalize();
+}

scripts/eigen-3.3.5.Tensor.patch

@@ -1,19 +0,0 @@
---- ./Eigen/unsupported/Eigen/CXX11/Tensor	2018-07-23 10:33:42.000000000 +0100
-+++ Tensor	2018-08-28 16:15:56.000000000 +0100
-@@ -25,7 +25,7 @@
- #include <utility>
- #endif
- 
--#include <Eigen/src/Core/util/DisableStupidWarnings.h>
-+#include "../../../Eigen/src/Core/util/DisableStupidWarnings.h"
- 
- #include "../SpecialFunctions"
- #include "src/util/CXX11Meta.h"
-@@ -147,6 +147,6 @@
- 
- #include "src/Tensor/TensorIO.h"
- 
--#include <Eigen/src/Core/util/ReenableStupidWarnings.h>
-+#include "../../../Eigen/src/Core/util/ReenableStupidWarnings.h"
- 
- //#endif // EIGEN_CXX11_TENSOR_MODULE

systems/Aurora/benchmarks/bench1024.pbs

@@ -0,0 +1,60 @@
+#!/bin/bash
+
+## qsub -q EarlyAppAccess -A Aurora_Deployment -I -l select=1 -l walltime=60:00
+
+#PBS -q EarlyAppAccess
+#PBS -l select=1024
+#PBS -l walltime=01:00:00
+#PBS -A LatticeQCD_aesp_CNDA
+
+#export OMP_PROC_BIND=spread
+#unset OMP_PLACES
+
+cd $PBS_O_WORKDIR
+
+source ../sourceme.sh
+
+cat $PBS_NODEFILE
+
+export OMP_NUM_THREADS=3
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE
+#unset MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST
+
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE=0
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE=0
+#export MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_BUFFER_SZ=1048576
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_THRESHOLD=131072
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_NUM_BUFFERS_PER_CHUNK=16
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_MAX_NUM_BUFFERS=16
+export MPICH_OFI_NIC_POLICY=GPU
+export FI_CXI_CQ_FILL_PERCENT=10
+export FI_CXI_DEFAULT_CQ_SIZE=262144
+#export FI_CXI_DEFAULT_CQ_SIZE=131072
+#export FI_CXI_CQ_FILL_PERCENT=20
+
+# 12 ppn, 32 nodes, 384 ranks
+#
+CMD="mpiexec -np 12288 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_comms_host_device --mpi 8.6.16.16 --grid 64.48.64.284 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32"
+
+$CMD 
+
+CMD="mpiexec -np 12288 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 8.8.8.24 --grid 128.128.128.384 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 1024node.dwf.small.cq
+
+CMD="mpiexec -np 12288 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 16.8.8.12 --grid 256.256.256.384 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 1024node.dwf.cq
+
+

systems/Aurora/benchmarks/bench12.pbs

@@ -0,0 +1,60 @@
+#!/bin/bash
+
+## qsub -q EarlyAppAccess -A Aurora_Deployment -I -l select=1 -l walltime=60:00
+
+#PBS -q EarlyAppAccess
+#PBS -l select=2
+#PBS -l walltime=01:00:00
+#PBS -A LatticeQCD_aesp_CNDA
+
+#export OMP_PROC_BIND=spread
+#unset OMP_PLACES
+
+cd $PBS_O_WORKDIR
+
+source ../sourceme.sh
+
+export OMP_NUM_THREADS=3
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+
+
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE
+#unset MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST
+
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE=0
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE=0
+export MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_BUFFER_SZ=1048576
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_THRESHOLD=131072
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_NUM_BUFFERS_PER_CHUNK=16
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_MAX_NUM_BUFFERS=16
+export MPICH_OFI_NIC_POLICY=GPU
+
+CMD="mpiexec -np 24 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_comms_host_device --mpi 2.3.2.2 --grid 32.24.32.192 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32"
+
+#$CMD 
+
+CMD="mpiexec -np 24 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 2.3.2.2 --grid 64.96.64.64 --comms-overlap \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32"
+
+#$CMD 
+
+CMD="mpiexec -np 1 -ppn 1  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf --mpi 1.1.1.1 --grid 16.32.32.32 --comms-sequential \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32"
+
+$CMD 
+
+CMD="mpiexec -np 1 -ppn 1  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 1.1.1.1 --grid 16.32.32.32 --comms-sequential \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32"
+
+$CMD 

systems/Aurora/benchmarks/bench2048.pbs

@@ -0,0 +1,56 @@
+#!/bin/bash
+
+## qsub -q EarlyAppAccess -A Aurora_Deployment -I -l select=1 -l walltime=60:00
+
+#PBS -q EarlyAppAccess
+#PBS -l select=2048
+#PBS -l walltime=01:00:00
+#PBS -A LatticeQCD_aesp_CNDA
+
+#export OMP_PROC_BIND=spread
+#unset OMP_PLACES
+
+cd $PBS_O_WORKDIR
+
+source ../sourceme.sh
+
+cat $PBS_NODEFILE
+
+export OMP_NUM_THREADS=3
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE
+#unset MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST
+
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE=0
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE=0
+export MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_BUFFER_SZ=1048576
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_THRESHOLD=131072
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_NUM_BUFFERS_PER_CHUNK=16
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_MAX_NUM_BUFFERS=16
+export MPICH_OFI_NIC_POLICY=GPU
+
+# 12 ppn, 32 nodes, 384 ranks
+#
+CMD="mpiexec -np 24576 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_comms_host_device --mpi 8.12.16.16 --grid 64.48.64.284 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32"
+
+$CMD 
+
+CMD="mpiexec -np 24576 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 16.8.8.24 --grid 128.128.128.384 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 2048node.dwf.small
+
+CMD="mpiexec -np 24576 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 16.8.8.24 --grid 256.256.256.768 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 2048node.dwf
+
+

systems/Aurora/benchmarks/bench256.pbs

@@ -0,0 +1,48 @@
+#!/bin/bash
+
+## qsub -q EarlyAppAccess -A Aurora_Deployment -I -l select=1 -l walltime=60:00
+
+#PBS -q EarlyAppAccess
+#PBS -l select=256
+#PBS -l walltime=01:00:00
+#PBS -A LatticeQCD_aesp_CNDA
+
+#export OMP_PROC_BIND=spread
+#unset OMP_PLACES
+
+cd $PBS_O_WORKDIR
+
+source ../sourceme.sh
+
+cat $PBS_NODEFILE
+
+export OMP_NUM_THREADS=3
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE
+#unset MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST
+
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE=0
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE=0
+export MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_BUFFER_SZ=1048576
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_THRESHOLD=131072
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_NUM_BUFFERS_PER_CHUNK=16
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_MAX_NUM_BUFFERS=16
+export MPICH_OFI_NIC_POLICY=GPU
+
+# 12 ppn, 32 nodes, 384 ranks
+#
+CMD="mpiexec -np 3072 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_comms_host_device --mpi 8.6.8.8 --grid 32.24.32.192 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32"
+
+$CMD 
+
+CMD="mpiexec -np 3072 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 8.8.4.12 --grid 128.128.128.768 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 256node.dwf.large

systems/Aurora/benchmarks/bench512.pbs

@@ -0,0 +1,48 @@
+#!/bin/bash
+
+## qsub -q EarlyAppAccess -A Aurora_Deployment -I -l select=1 -l walltime=60:00
+
+#PBS -q EarlyAppAccess
+#PBS -l select=512
+#PBS -l walltime=01:00:00
+#PBS -A LatticeQCD_aesp_CNDA
+
+#export OMP_PROC_BIND=spread
+#unset OMP_PLACES
+
+cd $PBS_O_WORKDIR
+
+source ../sourceme.sh
+
+cat $PBS_NODEFILE
+
+export OMP_NUM_THREADS=3
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE
+#unset MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST
+
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE=0
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE=0
+export MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_BUFFER_SZ=1048576
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_THRESHOLD=131072
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_NUM_BUFFERS_PER_CHUNK=16
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_MAX_NUM_BUFFERS=16
+export MPICH_OFI_NIC_POLICY=GPU
+
+# 12 ppn, 32 nodes, 384 ranks
+#
+CMD="mpiexec -np 6144 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_comms_host_device --mpi 8.6.8.16 --grid 32.24.32.192 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32"
+
+$CMD 
+
+CMD="mpiexec -np 6144 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 8.8.8.12 --grid 256.128.128.768 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 512node.dwf.large

systems/Aurora/benchmarks/bench_scaling.pbs

@@ -0,0 +1,80 @@
+#!/bin/bash
+
+## qsub -q EarlyAppAccess -A Aurora_Deployment -I -l select=1 -l walltime=60:00
+
+#PBS -q EarlyAppAccess
+#PBS -l select=32
+#PBS -l walltime=01:00:00
+#PBS -A LatticeQCD_aesp_CNDA
+
+#export OMP_PROC_BIND=spread
+#unset OMP_PLACES
+
+cd $PBS_O_WORKDIR
+
+source ../sourceme.sh
+
+cat $PBS_NODEFILE
+
+export OMP_NUM_THREADS=3
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE
+#unset MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST
+
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE=0
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE=0
+export MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_BUFFER_SZ=1048576
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_THRESHOLD=131072
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_NUM_BUFFERS_PER_CHUNK=16
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_MAX_NUM_BUFFERS=16
+export MPICH_OFI_NIC_POLICY=GPU
+
+# 12 ppn, 32 nodes, 384 ranks
+#
+CMD="mpiexec -np 384 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_comms_host_device --mpi 4.6.4.4 --grid 32.24.32.192 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32"
+
+$CMD 
+
+CMD="mpiexec -np 12 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 1.2.2.3 --grid 16.64.64.96 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 1node.dwf
+
+
+CMD="mpiexec -np 24 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 2.2.2.3 --grid 32.64.64.96 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 2node.dwf
+
+CMD="mpiexec -np 48 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 2.2.2.6 --grid 32.64.64.192 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 4node.dwf
+
+CMD="mpiexec -np 96 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 2.2.4.6 --grid 32.64.128.192 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 8node.dwf
+
+CMD="mpiexec -np 192 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 2.4.4.6 --grid 32.128.128.192 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 16node.dwf
+
+
+CMD="mpiexec -np 384 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Benchmark_dwf_fp32 --mpi 4.4.4.6 --grid 64.128.128.192 \
+		--shm-mpi 1 --shm 2048 --device-mem 32000 --accelerator-threads 32 --comms-overlap"
+$CMD | tee 32node.dwf

systems/Aurora/benchmarks/gpu_tile_compact.sh

@@ -0,0 +1,33 @@
+#!/bin/bash
+
+export NUMA_MAP=(2 2 2 3 3 3 2 2 2 3 3 3 )
+#export NUMA_MAP=(0 0 0 1 1 1 0 0 0 1 1 1 )
+export NUMA_PMAP=(0 0 0 1 1 1 0 0 0 1 1 1 )
+export  NIC_MAP=(0 1 2 4 5 6 0 1 2 4 5 6 )
+export  GPU_MAP=(0 1 2 3 4 5 0 1 2 3 4 5 )
+export TILE_MAP=(0 0 0 0 0 0 1 1 1 1 1 1 )
+
+export NUMA=${NUMA_MAP[$PALS_LOCAL_RANKID]}
+export NUMAP=${NUMA_PMAP[$PALS_LOCAL_RANKID]}
+export NIC=${NIC_MAP[$PALS_LOCAL_RANKID]}
+export gpu_id=${GPU_MAP[$PALS_LOCAL_RANKID]}
+export tile_id=${TILE_MAP[$PALS_LOCAL_RANKID]}
+  
+#export GRID_MPICH_NIC_BIND=$NIC
+#export ONEAPI_DEVICE_SELECTOR=level_zero:$gpu_id.$tile_id
+
+unset EnableWalkerPartition
+export EnableImplicitScaling=0
+export ZE_AFFINITY_MASK=$gpu_id.$tile_id
+export ONEAPI_DEVICE_FILTER=gpu,level_zero
+
+#export ZE_ENABLE_PCI_ID_DEVICE_ORDER=1
+#export SYCL_PI_LEVEL_ZERO_DEVICE_SCOPE_EVENTS=0
+#export SYCL_PI_LEVEL_ZERO_USE_IMMEDIATE_COMMANDLISTS=1
+#export SYCL_PI_LEVEL_ZERO_USE_COPY_ENGINE=0:2
+#export SYCL_PI_LEVEL_ZERO_USE_COPY_ENGINE_FOR_D2D_COPY=1
+#export SYCL_PI_LEVEL_ZERO_USM_RESIDENT=1
+
+#echo "rank $PALS_RANKID ; local rank $PALS_LOCAL_RANKID ; ZE_AFFINITY_MASK=$ZE_AFFINITY_MASK ; NUMA $NUMA "
+
+numactl -m $NUMA -N $NUMAP  "$@"

systems/Aurora/benchmarks/gpu_tile_compact4.sh

@@ -0,0 +1,29 @@
+#!/bin/bash
+
+export  NUMA_MAP=(2 2 3 3  2 2  3 3  )
+export  PROC_MAP=(0 0 1 1  0 0  1 1  )
+export  NIC_MAP=(0 0  4 4  1 1  5 5  )
+export  GPU_MAP=(0 1  3 4  0 1  3 4  )
+export TILE_MAP=(0 0  0 0  1 1  1 1  )
+export NUMA=${NUMA_MAP[$PALS_LOCAL_RANKID]}
+export NIC=${NIC_MAP[$PALS_LOCAL_RANKID]}
+export gpu_id=${GPU_MAP[$PALS_LOCAL_RANKID]}
+export tile_id=${TILE_MAP[$PALS_LOCAL_RANKID]}
+  
+#export GRID_MPICH_NIC_BIND=$NIC
+
+unset EnableWalkerPartition
+export EnableImplicitScaling=0
+export ZE_ENABLE_PCI_ID_DEVICE_ORDER=1
+export ZE_AFFINITY_MASK=$gpu_id.$tile_id
+#export ONEAPI_DEVICE_SELECTOR=level_zero:$gpu_id.$tile_id
+export ONEAPI_DEVICE_FILTER=gpu,level_zero
+export SYCL_PI_LEVEL_ZERO_DEVICE_SCOPE_EVENTS=0
+export SYCL_PI_LEVEL_ZERO_USE_IMMEDIATE_COMMANDLISTS=1
+export SYCL_PI_LEVEL_ZERO_USE_COPY_ENGINE=0:2
+export SYCL_PI_LEVEL_ZERO_USE_COPY_ENGINE_FOR_D2D_COPY=1
+#export SYCL_PI_LEVEL_ZERO_USM_RESIDENT=1
+
+echo "rank $PALS_RANKID ; local rank $PALS_LOCAL_RANKID ; ZE_AFFINITY_MASK=$ZE_AFFINITY_MASK ; NIC $GRID_MPICH_NIC_BIND ; NUMA domain $NUMA"
+
+numactl -m $NUMA -N $PROC_MAP  "$@"

systems/Aurora/config-command

@@ -0,0 +1,16 @@
+TOOLS=$HOME/tools
+../../configure \
+	--enable-simd=GPU \
+	--enable-gen-simd-width=64 \
+	--enable-comms=mpi-auto \
+	--enable-accelerator-cshift \
+	--disable-gparity \
+	--disable-fermion-reps \
+	--enable-shm=nvlink \
+	--enable-accelerator=sycl \
+	--enable-unified=no \
+	MPICXX=mpicxx \
+	CXX=icpx \
+	LDFLAGS="-fiopenmp -fsycl -fsycl-device-code-split=per_kernel -fsycl-device-lib=all -lze_loader -L$TOOLS/lib64/ -L${MKLROOT}/lib -qmkl=parallel " \
+	CXXFLAGS="-fiopenmp -fsycl-unnamed-lambda -fsycl -I$INSTALL/include -Wno-tautological-compare -I$HOME/ -I$TOOLS/include -qmkl=parallel"
+

systems/Aurora/proxies.sh

@@ -0,0 +1,9 @@
+export HTTP_PROXY=http://proxy.alcf.anl.gov:3128
+export HTTPS_PROXY=http://proxy.alcf.anl.gov:3128
+export http_proxy=http://proxy.alcf.anl.gov:3128
+export https_proxy=http://proxy.alcf.anl.gov:3128
+export MPIR_CVAR_CH4_OFI_ENABLE_HMEM=1
+git config --global http.proxy http://proxy.alcf.anl.gov:3128
+module use /soft/modulefiles
+module load intel_compute_runtime/release/agama-devel-682.22
+ 

systems/Aurora/sourceme.sh

@@ -0,0 +1,26 @@
+#export ONEAPI_DEVICE_SELECTOR=level_zero:0.0
+
+module use /soft/modulefiles
+module load intel_compute_runtime/release/agama-devel-682.22
+
+export FI_CXI_DEFAULT_CQ_SIZE=131072
+export FI_CXI_CQ_FILL_PERCENT=20
+
+export SYCL_PROGRAM_COMPILE_OPTIONS="-ze-opt-large-register-file"
+#export SYCL_PROGRAM_COMPILE_OPTIONS="-ze-intel-enable-auto-large-GRF-mode"
+
+#
+# -ftarget-register-alloc-mode=pvc:default 
+# -ftarget-register-alloc-mode=pvc:small
+# -ftarget-register-alloc-mode=pvc:large
+# -ftarget-register-alloc-mode=pvc:auto
+#
+
+export HTTP_PROXY=http://proxy.alcf.anl.gov:3128
+export HTTPS_PROXY=http://proxy.alcf.anl.gov:3128
+export http_proxy=http://proxy.alcf.anl.gov:3128
+export https_proxy=http://proxy.alcf.anl.gov:3128
+#export MPIR_CVAR_CH4_OFI_ENABLE_HMEM=1
+git config --global http.proxy http://proxy.alcf.anl.gov:3128
+
+export SYCL_PROGRAM_COMPILE_OPTIONS="-ze-opt-large-register-file"

systems/Aurora/tests/repro128.pbs

@@ -0,0 +1,41 @@
+#!/bin/bash
+
+## qsub -q EarlyAppAccess -A Aurora_Deployment -I -l select=1 -l walltime=60:00
+
+#PBS -q EarlyAppAccess
+#PBS -l select=128
+#PBS -l walltime=02:00:00
+#PBS -A LatticeQCD_aesp_CNDA
+
+#export OMP_PROC_BIND=spread
+#unset OMP_PLACES
+
+cd $PBS_O_WORKDIR
+
+source ../sourceme.sh
+
+cat $PBS_NODEFILE
+
+export OMP_NUM_THREADS=3
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE
+#unset MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST
+
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE=0
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE=0
+export MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_BUFFER_SZ=1048576
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_THRESHOLD=131072
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_NUM_BUFFERS_PER_CHUNK=16
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_MAX_NUM_BUFFERS=16
+export MPICH_OFI_NIC_POLICY=GPU
+
+# 12 ppn, 16 nodes, 192 ranks
+# 12 ppn, 128 nodes, 1536 ranks
+CMD="mpiexec -np 1536 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Test_dwf_mixedcg_prec --mpi 4.4.4.24 --grid 128.128.128.384 \
+		--shm-mpi 1 --shm 4096 --device-mem 32000 --accelerator-threads 32 --seconds 7000 --comms-overlap "
+$CMD 

systems/Aurora/tests/repro16.pbs

@@ -0,0 +1,61 @@
+#!/bin/bash
+
+## qsub -q EarlyAppAccess -A Aurora_Deployment -I -l select=1 -l walltime=60:00
+
+#PBS -l select=16:system=sunspot,place=scatter
+#PBS -A LatticeQCD_aesp_CNDA
+#PBS -l walltime=01:00:00
+#PBS -N dwf
+#PBS -k doe
+
+#export OMP_PROC_BIND=spread
+#unset OMP_PLACES
+
+cd $PBS_O_WORKDIR
+
+#source ../sourceme.sh
+
+cat $PBS_NODEFILE
+
+#export MPICH_COLL_SYNC=1
+#export MPICH_ENV_DISPLAY=1
+export MPICH_
+export OMP_NUM_THREADS=3
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+module load oneapi/eng-compiler/2023.05.15.003
+module load mpich/51.2/icc-all-deterministic-pmix-gpu
+#export LD_LIBRARY_PATH=/soft/restricted/CNDA/updates/2023.05.15.001/oneapi/compiler/eng-20230512/compiler/linux/lib/:$LD_LIBRARY_PATH
+
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE
+#unset MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST
+export MPIR_CVAR_ALLREDUCE_DEVICE_COLLECTIVE=0
+export MPIR_CVAR_REDUCE_DEVICE_COLLECTIVE=0
+export MPIR_CVAR_ALLREDUCE_INTRA_ALGORITHM=recursive_doubling
+unset MPIR_CVAR_CH4_COLL_SELECTION_TUNING_JSON_FILE
+unset MPIR_CVAR_COLL_SELECTION_TUNING_JSON_FILE
+unset MPIR_CVAR_CH4_POSIX_COLL_SELECTION_TUNING_JSON_FILE
+
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE=0
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE=0
+export MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_BUFFER_SZ=1048576
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_THRESHOLD=131072
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_NUM_BUFFERS_PER_CHUNK=16
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_MAX_NUM_BUFFERS=16
+export MPICH_OFI_NIC_POLICY=GPU
+
+DIR=repro.$PBS_JOBID
+mkdir $DIR
+cd $DIR
+
+CMD="mpiexec -np 192 -ppn 12  -envall \
+	     ../gpu_tile_compact.sh \
+	     ../Test_dwf_mixedcg_prec --mpi 2.4.4.6 --grid 64.128.128.192 \
+		--shm-mpi 1 --shm 4096 --device-mem 32000 --accelerator-threads 32 --seconds 3000 --debug-stdout --log Message,Iterative"
+#--comms-overlap
+$CMD 
+
+grep Oops Grid.stderr.* > failures.$PBS_JOBID
+rm core.*
+

systems/Aurora/tests/repro1gpu.pbs

@@ -0,0 +1,81 @@
+#!/bin/bash
+
+#PBS -l select=16:system=sunspot,place=scatter
+#PBS -A LatticeQCD_aesp_CNDA
+#PBS -l walltime=02:00:00
+#PBS -N repro1gpu
+#PBS -k doe
+
+#export OMP_PROC_BIND=spread
+#unset OMP_PLACES
+
+module load oneapi/eng-compiler/2023.05.15.003
+module load mpich/51.2/icc-all-deterministic-pmix-gpu
+
+# 56 cores / 6 threads ~9
+export OMP_NUM_THREADS=6
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE=0
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE=0
+export MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_BUFFER_SZ=1048576
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_THRESHOLD=131072
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_NUM_BUFFERS_PER_CHUNK=16
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_MAX_NUM_BUFFERS=16
+export MPICH_OFI_NIC_POLICY=GPU
+
+export MPIR_CVAR_ALLREDUCE_DEVICE_COLLECTIVE=0
+export MPIR_CVAR_REDUCE_DEVICE_COLLECTIVE=0
+export MPIR_CVAR_ALLREDUCE_INTRA_ALGORITHM=recursive_doubling
+unset MPIR_CVAR_CH4_COLL_SELECTION_TUNING_JSON_FILE
+unset MPIR_CVAR_COLL_SELECTION_TUNING_JSON_FILE
+unset MPIR_CVAR_CH4_POSIX_COLL_SELECTION_TUNING_JSON_FILE
+
+cd $PBS_O_WORKDIR
+
+NN=`cat $PBS_NODEFILE | wc -l`
+echo $PBS_NODEFILE
+cat $PBS_NODEFILE
+
+echo $NN nodes in node file
+for n in `eval echo {1..$NN}`
+do
+
+THIS_NODE=`head -n$n $PBS_NODEFILE | tail -n1 `
+echo Node $n is $THIS_NODE
+
+
+for g in {0..11}
+do
+export NUMA_MAP=(0 0 0 1 1 1 0 0 0 1 1 1 )
+export TILE_MAP=(0 0 0 0 0 0 1 1 1 1 1 1 )
+export  GPU_MAP=(0 1 2 3 4 5 0 1 2 3 4 5 )
+
+export numa=${NUMA_MAP[$g]}
+export gpu_id=${GPU_MAP[$g]}
+export tile_id=${TILE_MAP[$g]}
+export gpu=$gpu_id.$tile_id
+
+cd $PBS_O_WORKDIR
+
+DIR=repro.1gpu.$PBS_JOBID/node-$n-$THIS_NODE-GPU-$gpu
+mkdir -p $DIR
+cd $DIR
+
+echo $THIS_NODE > nodefile
+echo $gpu > gpu
+
+export ZE_AFFINITY_MASK=$gpu
+export ONEAPI_DEVICE_FILTER=gpu,level_zero
+
+CMD="mpiexec -np 1 -ppn 1  -envall --hostfile nodefile \
+	     numactl -N $numa -m $numa ../../Test_dwf_mixedcg_prec --mpi 1.1.1.1 --grid 16.16.32.32 \
+		--shm-mpi 0 --shm 4096 --device-mem 32000 --accelerator-threads 32 --seconds 6000 --debug-stdout --log Message"
+echo $CMD
+$CMD &
+
+done
+done
+
+wait
+

systems/Aurora/tests/reproN.pbs

@@ -0,0 +1,78 @@
+#!/bin/bash
+
+#PBS -l select=16:system=sunspot,place=scatter
+#PBS -A LatticeQCD_aesp_CNDA
+#PBS -l walltime=02:00:00
+#PBS -N reproN
+#PBS -k doe
+
+#export OMP_PROC_BIND=spread
+#unset OMP_PLACES
+
+module load oneapi/eng-compiler/2023.05.15.003
+module load mpich/51.2/icc-all-deterministic-pmix-gpu
+
+# 56 cores / 6 threads ~9
+export OMP_NUM_THREADS=6
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE=0
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE=0
+export MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_BUFFER_SZ=1048576
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_THRESHOLD=131072
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_NUM_BUFFERS_PER_CHUNK=16
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_MAX_NUM_BUFFERS=16
+export MPICH_OFI_NIC_POLICY=GPU
+
+export MPIR_CVAR_ALLREDUCE_DEVICE_COLLECTIVE=0
+export MPIR_CVAR_REDUCE_DEVICE_COLLECTIVE=0
+export MPIR_CVAR_ALLREDUCE_INTRA_ALGORITHM=recursive_doubling
+unset MPIR_CVAR_CH4_COLL_SELECTION_TUNING_JSON_FILE
+unset MPIR_CVAR_COLL_SELECTION_TUNING_JSON_FILE
+unset MPIR_CVAR_CH4_POSIX_COLL_SELECTION_TUNING_JSON_FILE
+
+cd $PBS_O_WORKDIR
+
+NN=`cat $PBS_NODEFILE | wc -l`
+echo $PBS_NODEFILE
+cat $PBS_NODEFILE
+
+echo $NN nodes in node file
+for n in `eval echo {1..$NN}`
+do
+
+cd $PBS_O_WORKDIR
+
+THIS_NODE=`head -n$n $PBS_NODEFILE | tail -n1 `
+echo Node $n is $THIS_NODE
+
+DIR=repro.$PBS_JOBID/node-$n-$THIS_NODE
+
+mkdir -p $DIR
+cd $DIR
+
+echo $THIS_NODE > nodefile
+
+CMD="mpiexec -np 12 -ppn 12  -envall --hostfile nodefile \
+	     ../../gpu_tile_compact.sh \
+	     ../../Test_dwf_mixedcg_prec --mpi 1.2.2.3 --grid 32.64.64.96 \
+		--shm-mpi 0 --shm 4096 --device-mem 32000 --accelerator-threads 32 --seconds 6000 --debug-stdout --log Message --comms-overlap"
+
+$CMD &
+
+done
+
+wait
+
+for n in ` eval echo {1..$NN} `
+do
+
+THIS_NODE=`head -n$n $PBS_NODEFILE | tail -n1 `
+DIR=repro.$PBS_JOBID/node-$n-$THIS_NODE
+
+cd $DIR
+
+grep Oops Grid.stderr.* > failures.$PBS_JOBID
+rm core.*
+
+done

systems/Aurora/tests/solver/stag16.pbs

@@ -0,0 +1,40 @@
+#!/bin/bash
+
+## qsub -q EarlyAppAccess -A Aurora_Deployment -I -l select=1 -l walltime=60:00
+
+#PBS -q EarlyAppAccess
+#PBS -l select=16
+#PBS -l walltime=01:00:00
+#PBS -A LatticeQCD_aesp_CNDA
+
+#export OMP_PROC_BIND=spread
+#unset OMP_PLACES
+
+cd $PBS_O_WORKDIR
+
+source ../../sourceme.sh
+
+cat $PBS_NODEFILE
+
+export OMP_NUM_THREADS=3
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE
+#unset MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE
+#unset MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST
+
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_D2H_ENGINE_TYPE=0
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_H2D_ENGINE_TYPE=0
+export MPIR_CVAR_GPU_USE_IMMEDIATE_COMMAND_LIST=1
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_BUFFER_SZ=1048576
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_THRESHOLD=131072
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_NUM_BUFFERS_PER_CHUNK=16
+export MPIR_CVAR_CH4_OFI_GPU_PIPELINE_MAX_NUM_BUFFERS=16
+export MPICH_OFI_NIC_POLICY=GPU
+
+# 12 ppn, 16 nodes, 192 ranks
+CMD="mpiexec -np 192 -ppn 12  -envall \
+	     ./gpu_tile_compact.sh \
+	     ./Test_staggered_cg_prec --mpi 2.4.4.6 --grid 128.128.128.192 \
+	     --shm-mpi 1 --shm 4096 --device-mem 32000 --accelerator-threads 32 --seconds 3000 --comms-overlap"
+$CMD 

systems/Booster/benchmarks/Benchmark_usqcd.csv

@@ -0,0 +1,70 @@
+Memory Bandwidth
+
+Bytes, GB/s per node
+3145728, 225.900365
+50331648, 2858.859504
+254803968, 4145.556367
+805306368, 4905.772480
+1966080000, 4978.312557
+
+
+GEMM
+
+ M, N, K, BATCH, GF/s per rank
+16, 8, 16, 256, 1.713639
+16, 16, 16, 256, 288.268316
+16, 32, 16, 256, 597.053950
+32, 8, 32, 256, 557.382591
+32, 16, 32, 256, 1100.145311
+32, 32, 32, 256, 1885.080449
+64, 8, 64, 256, 1725.163599
+64, 16, 64, 256, 3389.336566
+64, 32, 64, 256, 4168.252422
+16, 8, 256, 256, 1326.262134
+16, 16, 256, 256, 2318.095475
+16, 32, 256, 256, 3555.436503
+32, 8, 256, 256, 1920.139170
+32, 16, 256, 256, 3486.174753
+32, 32, 256, 256, 5320.821724
+64, 8, 256, 256, 2539.597502
+64, 16, 256, 256, 5003.456775
+64, 32, 256, 256, 7837.531562
+8, 256, 16, 256, 1427.848170
+16, 256, 16, 256, 2222.147815
+32, 256, 16, 256, 2877.121715
+8, 256, 32, 256, 1922.890086
+16, 256, 32, 256, 3199.469082
+32, 256, 32, 256, 4845.405343
+8, 256, 64, 256, 2639.483343
+16, 256, 64, 256, 5012.800299
+32, 256, 64, 256, 7216.006882
+
+
+
+Communications
+
+Packet bytes, direction, GB/s per node
+4718592, 2, 206.570734
+4718592, 3, 207.501847
+4718592, 6, 189.730277
+4718592, 7, 204.301218
+15925248, 2, 307.882997
+15925248, 3, 287.901076
+15925248, 6, 295.603109
+15925248, 7, 300.682033
+37748736, 2, 331.740364
+37748736, 3, 338.610627
+37748736, 6, 332.580657
+37748736, 7, 336.336579
+
+
+Per node summary table
+
+L , Wilson, DWF4, Staggered, GF/s per node
+
+8 , 16, 1165, 10
+12 , 473, 4901, 163
+16 , 1436, 8464, 442
+24 , 4133, 10139, 1530
+32 , 5726, 11487, 2518
+

systems/Booster/config-command

@@ -5,10 +5,12 @@ LIME=/p/home/jusers/boyle2/juwels/gm2dwf/boyle/
     --enable-gen-simd-width=64 \
     --enable-shm=nvlink \
     --enable-accelerator=cuda \
+    --disable-gparity \
+    --disable-fermion-reps \
     --with-lime=$LIME \
-    --disable-accelerator-cshift \
+    --enable-accelerator-cshift \
     --disable-unified \
     CXX=nvcc \
     LDFLAGS="-cudart shared " \
-    CXXFLAGS="-ccbin mpicxx -gencode arch=compute_80,code=sm_80 -std=c++14 -cudart shared"
+    CXXFLAGS="-ccbin mpicxx -gencode arch=compute_80,code=sm_80 -std=c++17 -cudart shared -lcublas"
 

systems/Booster/sourceme.sh

@@ -1,5 +1,5 @@
-module load GCC/9.3.0       
-module load  GMP/6.2.0   
-module load MPFR/4.1.0     
-module load OpenMPI/4.1.0rc1  
-module load CUDA/11.3
+module load GCC
+module load GMP
+module load MPFR
+module load OpenMPI
+module load CUDA

systems/Frontier/config-command

@@ -0,0 +1,23 @@
+CLIME=`spack find --paths c-lime@2-3-9 | grep c-lime| cut -c 15-`
+../../configure --enable-comms=mpi-auto \
+--with-lime=$CLIME \
+--enable-unified=no \
+--enable-shm=nvlink \
+--enable-tracing=timer \
+--enable-accelerator=hip \
+--enable-gen-simd-width=64 \
+--disable-gparity \
+--disable-fermion-reps \
+--enable-simd=GPU \
+--enable-accelerator-cshift \
+--with-gmp=$OLCF_GMP_ROOT \
+--with-fftw=$FFTW_DIR/.. \
+--with-mpfr=/opt/cray/pe/gcc/mpfr/3.1.4/ \
+--disable-fermion-reps \
+CXX=hipcc MPICXX=mpicxx \
+CXXFLAGS="-fPIC -I{$ROCM_PATH}/include/ -I${MPICH_DIR}/include -L/lib64 -fgpu-sanitize" \
+ LDFLAGS="-L/lib64 -L${MPICH_DIR}/lib -lmpi -L${CRAY_MPICH_ROOTDIR}/gtl/lib -lmpi_gtl_hsa -lamdhip64  -lhipblas -lrocblas"
+
+
+
+

systems/Frontier/sourceme.sh

@@ -0,0 +1,13 @@
+. /autofs/nccs-svm1_home1/paboyle/Crusher/Grid/spack/share/spack/setup-env.sh
+spack load c-lime
+#export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/sw/crusher/spack-envs/base/opt/cray-sles15-zen3/gcc-11.2.0/gperftools-2.9.1-72ubwtuc5wcz2meqltbfdb76epufgzo2/lib
+module load emacs 
+module load PrgEnv-gnu
+module load rocm
+module load cray-mpich/8.1.23
+module load gmp
+module load cray-fftw
+module load craype-accel-amd-gfx90a
+export LD_LIBRARY_PATH=/opt/gcc/mpfr/3.1.4/lib:$LD_LIBRARY_PATH
+#Hack for lib
+#export LD_LIBRARY_PATH=`pwd`:$LD_LIBRARY_PATH

systems/Lumi/HMC/32cube/fthmc3gev.slurm

@@ -0,0 +1,57 @@
+#!/bin/bash -l
+#SBATCH --job-name=fthmc3ge
+#SBATCH --partition=small-g
+#SBATCH --nodes=1
+#SBATCH --ntasks-per-node=8
+##SBATCH --cpus-per-task=8
+#SBATCH --gpus-per-node=8
+#SBATCH --time=2:00:00
+#SBATCH --account=project_465000546
+#SBATCH --gpu-bind=none
+#SBATCH --exclusive
+#SBATCH --mem=0
+
+
+#sbatch --dependency=afterany:$SLURM_JOBID fthmc3gev.slurm
+
+CPU_BIND="map_ldom:3,3,1,1,0,0,2,2"
+MEM_BIND="map_mem:3,3,1,1,0,0,2,2"
+echo $CPU_BIND
+
+cat << EOF > ./select_gpu
+#!/bin/bash
+export GPU_MAP=(0 1 2 3 4 5 6 7)
+export NUMA_MAP=(3 3 1 1 0 0 2 2)
+export GPU=\${GPU_MAP[\$SLURM_LOCALID]}
+export NUM=\${NUMA_MAP[\$SLURM_LOCALID]}
+#export HIP_VISIBLE_DEVICES=\$GPU
+export ROCR_VISIBLE_DEVICES=\$GPU
+echo RANK \$SLURM_LOCALID using GPU \$GPU    
+echo NUMA \$SLURM_LOCALID using NUMA \${NUM}
+echo numactl -m \$NUM -N \$NUM \$*
+exec numactl -m \$NUM -N \$NUM \$*
+EOF
+cat ./select_gpu
+
+chmod +x ./select_gpu
+
+root=/scratch/project_465000546/boylepet/Grid/systems/Lumi
+source ${root}/sourceme.sh
+
+export OMP_NUM_THREADS=7
+export MPICH_SMP_SINGLE_COPY_MODE=CMA
+export MPICH_GPU_SUPPORT_ENABLED=1
+
+#cfg=`ls -rt ckpoint_*lat* | tail -n 1  `
+#traj="${cfg#*.}"
+#cfg=`ls -rt ckpoint_*lat* | tail -n 1  `
+traj=0
+
+vol=32.32.32.64
+mpi=1.2.2.2
+PARAMS="--mpi $mpi --accelerator-threads 16 --comms-sequential --shm 2048 --shm-mpi 0 --grid $vol"
+#HMCPARAMS="--StartingType CheckpointStart --StartingTrajectory $traj --Trajectories 200"
+HMCPARAMS="--StartingType ColdStart --StartingTrajectory $traj --Trajectories 20"
+
+srun ./select_gpu ../FTHMC2p1f_3GeV $HMCPARAMS $PARAMS
+

systems/Lumi/config-command

@@ -23,7 +23,7 @@ echo mpfr X$MPFR
 --disable-fermion-reps \
 --disable-gparity \
 CXX=hipcc MPICXX=mpicxx \
-  CXXFLAGS="-fPIC --offload-arch=gfx90a -I/opt/rocm/include/ -std=c++14 -I/opt/cray/pe/mpich/8.1.23/ofi/gnu/9.1/include" \
+  CXXFLAGS="-fPIC --offload-arch=gfx90a -I/opt/rocm/include/ -std=c++17 -I/opt/cray/pe/mpich/8.1.23/ofi/gnu/9.1/include" \
   LDFLAGS="-L/opt/cray/pe/mpich/8.1.23/ofi/gnu/9.1/lib -lmpi -L/opt/cray/pe/mpich/8.1.23/gtl/lib -lmpi_gtl_hsa -lamdhip64 -fopenmp" 
 
 

systems/PVC-OEM/setup.sh

@@ -1,3 +1,5 @@
 export https_proxy=http://proxy-chain.intel.com:911
 module load intel-release
 module load intel/mpich
+export MPIR_CVAR_CH4_OFI_ENABLE_GPU_PIPELINE=1
+export SYCL_PROGRAM_COMPILE_OPTIONS="-ze-opt-large-register-file"

systems/SDCC-A100/bench.slurm

@@ -0,0 +1,42 @@
+#!/bin/bash
+#SBATCH --partition csi
+#SBATCH --time=00:10:00
+#SBATCH -A csigeneral
+#SBATCH --exclusive
+#SBATCH --nodes=1
+#SBATCH --ntasks=4
+#SBATCH --qos csi
+#SBATCH --gres=gpu:4
+
+source sourceme.sh
+
+cat << EOF > select_gpu
+#!/bin/bash
+export GPU_MAP=(0 1 2 3)
+export GPU=\${GPU_MAP[\$SLURM_LOCALID]}
+export CUDA_VISIBLE_DEVICES=\$GPU
+unset ROCR_VISIBLE_DEVICES
+echo RANK \$SLURM_LOCALID using GPU \$GPU    
+exec \$*
+EOF
+chmod +x ./select_gpu
+
+
+export OMP_NUM_THREADS=4
+export OMPI_MCA_btl=^uct,openib
+export UCX_TLS=cuda,gdr_copy,rc,rc_x,sm,cuda_copy,cuda_ipc
+export UCX_RNDV_SCHEME=put_zcopy
+export UCX_RNDV_THRESH=16384
+export UCX_IB_GPU_DIRECT_RDMA=no
+export UCX_MEMTYPE_CACHE=n
+
+export OMP_NUM_THREAD=8
+#srun -N1 -n1 nvidia-smi
+#srun -N1 -n1 numactl -H > numa.txt
+srun -N1 -n1 lstopo A100-topo.pdf
+
+# 4.35 TF/s
+#srun -N1 -n1 ./benchmarks/Benchmark_dwf_fp32 --mpi 1.1.1.1 --grid 16.32.32.32 --shm 2048 --shm-mpi 0  --accelerator-threads 16
+
+srun -N1 -n4 ./select_gpu ./benchmarks/Benchmark_dwf_fp32 --mpi 1.1.2.2 --grid 32.32.64.64 --shm 2048 --shm-mpi 0  --accelerator-threads 16
+

systems/SDCC-A100/config-command

@@ -0,0 +1,17 @@
+../../configure \
+--enable-comms=mpi-auto \
+--enable-unified=no \
+--enable-shm=nvlink \
+--enable-accelerator=cuda \
+--enable-gen-simd-width=64 \
+--enable-simd=GPU \
+--disable-accelerator-cshift \
+--disable-fermion-reps \
+--disable-gparity \
+CXX=nvcc \
+MPICXX=mpicxx \
+LDFLAGS="-cudart shared " \
+CXXFLAGS="-ccbin mpicxx -gencode arch=compute_80,code=sm_80 -std=c++17 -cudart shared"
+
+
+

systems/SDCC-A100/sourceme.sh

@@ -0,0 +1,2 @@
+module load cuda/12.2
+module load openmpi

systems/SDCC-ARM/config-command-mpi

@@ -0,0 +1,6 @@
+HDF=$HOME/paboyle/install
+
+LDFLAGS=-L$HDF/lib CXX=clang++ ../../configure --enable-simd=NEONv8 --enable-comms=none --enable-unified=yes --disable-fermion-reps --disable-gparity --disable-debug --with-hdf5=$HDF 
+#LDFLAGS=-L$HDF/lib CXX=clang++ ../../configure --enable-simd=GEN --enable-comms=none --enable-unified=yes --disable-fermion-reps --disable-gparity --disable-debug --with-hdf5=$HDF 
+
+

systems/SDCC-ICE/bench.slurm

@@ -0,0 +1,31 @@
+#!/bin/bash
+#SBATCH --partition lqcd
+#SBATCH --time=00:20:00
+#SBATCH -A lqcdtest
+#SBATCH --exclusive
+#SBATCH --nodes=1
+#SBATCH --ntasks=2
+#SBATCH --qos lqcd
+
+source sourceme.sh
+
+export OMP_NUM_THREAD=24
+#srun -N1 -n1 numactl -H > numa.txt
+#srun -N1 -n1 lstopo ice-topo.pdf
+
+cat << EOF > select_socket
+#!/bin/bash
+export NUM_MAP=(0 1)
+export NUMA=\${NUMA_MAP[\$SLURM_LOCALID]}
+exec \$*
+EOF
+chmod +x ./select_socket
+
+#for vol in 8.8.8.16 8.8.8.32 8.8.8.64
+#for vol in 8.8.16.16 8.8.16.32 8.8.16.64
+for vol in 8.16.16.16 8.16.16.32 8.16.16.64 16.16.16.32 16.16.16.64 24.24.24.64 32.32.32.32
+do
+srun --cpu-bind=ldoms -N1 -n2 ./select_socket ./benchmarks/Benchmark_dwf_fp32 --mpi 1.1.1.2 --grid $vol --dslash-asm > $vol.2socket.out
+srun --cpu-bind=ldoms -N1 -n1 ./select_socket ./benchmarks/Benchmark_dwf_fp32 --mpi 1.1.1.1 --grid $vol --dslash-asm > $vol.1socket.out
+done
+

systems/SDCC-ICE/config-command

@@ -0,0 +1,19 @@
+../../configure \
+--enable-debug \
+--enable-comms=mpi-auto \
+--enable-unified=yes \
+--enable-shm=shmopen \
+--enable-shm-fast-path=shmopen \
+--enable-accelerator=none \
+--enable-simd=AVX512 \
+--disable-accelerator-cshift \
+--disable-fermion-reps \
+--disable-gparity \
+CXX=clang++ \
+MPICXX=mpicxx \
+LDFLAGS=-L/direct/sdcc+u/paboyle/spack/opt/spack/linux-almalinux8-icelake/gcc-8.5.0/hwloc-2.9.1-hgkscnt5pferhtde4ahctlupb6qf3vtl/lib/ \
+LIBS=-lhwloc \
+CXXFLAGS="-std=c++17"
+
+
+

systems/SDCC-ICE/sourceme.sh

@@ -0,0 +1,2 @@
+export LD_LIBRARY_PATH=/direct/sdcc+u/paboyle/spack/opt/spack/linux-almalinux8-icelake/gcc-8.5.0/llvm-12.0.1-agey6vtuw3e375rewhhobvkznjh5ltz4/lib/:$LD_LIBRARY_PATH
+module load openmpi

systems/mac-arm/config-command-mpi

@@ -1,4 +1,3 @@
-BREW=/opt/local/
-MPICXX=mpicxx ../../configure --enable-simd=GEN --enable-comms=mpi-auto --enable-unified=yes --prefix $HOME/QCD/GridInstall --with-lime=/Users/peterboyle/QCD/SciDAC/install/ --with-openssl=$BREW --disable-fermion-reps --disable-gparity --disable-debug
+CXXFLAGS=-I/opt/local/include LDFLAGS=-L/opt/local/lib/ CXX=c++-13 MPICXX=mpicxx ../../configure --enable-simd=GEN --enable-comms=mpi-auto --enable-unified=yes --prefix $HOME/QCD/GridInstall --with-lime=/Users/peterboyle/QCD/SciDAC/install/ --with-openssl=$BREW --disable-fermion-reps --disable-gparity --disable-debug 
 
 

tests/Test_dwf_mixedcg_prec.cc

@@ -30,27 +30,59 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 using namespace std;
 using namespace Grid;
 
-template<class d>
-struct scal {
-  d internal;
+#ifndef HOST_NAME_MAX
+#define HOST_NAME_MAX _POSIX_HOST_NAME_MAX
+#endif
+
+NAMESPACE_BEGIN(Grid);
+template<class Matrix,class Field>
+  class SchurDiagMooeeOperatorParanoid :  public SchurOperatorBase<Field> {
+ public:
+    Matrix &_Mat;
+    SchurDiagMooeeOperatorParanoid (Matrix &Mat): _Mat(Mat){};
+    virtual  void Mpc      (const Field &in, Field &out) {
+      Field tmp(in.Grid());
+      tmp.Checkerboard() = !in.Checkerboard();
+      //      std::cout <<" Mpc starting"<<std::endl;
+
+      RealD nn = norm2(in); // std::cout <<" Mpc Prior to dslash norm is "<<nn<<std::endl;
+      _Mat.Meooe(in,tmp);
+      nn = norm2(tmp); //std::cout <<" Mpc Prior to Mooeinv "<<nn<<std::endl;
+      _Mat.MooeeInv(tmp,out);
+      nn = norm2(out); //std::cout <<" Mpc Prior to dslash norm is "<<nn<<std::endl;
+      _Mat.Meooe(out,tmp);
+      nn = norm2(tmp); //std::cout <<" Mpc Prior to Mooee "<<nn<<std::endl;
+      _Mat.Mooee(in,out);
+      nn = norm2(out); //std::cout <<" Mpc Prior to axpy "<<nn<<std::endl;
+      axpy(out,-1.0,tmp,out);
+    }
+    virtual void MpcDag   (const Field &in, Field &out){
+      Field tmp(in.Grid());
+      //      std::cout <<" MpcDag starting"<<std::endl;
+      RealD nn = norm2(in);// std::cout <<" MpcDag Prior to dslash norm is "<<nn<<std::endl;
+      _Mat.MeooeDag(in,tmp);
+      _Mat.MooeeInvDag(tmp,out);
+      nn = norm2(out);// std::cout <<" MpcDag Prior to dslash norm is "<<nn<<std::endl;
+      _Mat.MeooeDag(out,tmp);
+      nn = norm2(tmp);// std::cout <<" MpcDag Prior to Mooee "<<nn<<std::endl;
+      _Mat.MooeeDag(in,out);
+      nn = norm2(out);// std::cout <<" MpcDag Prior to axpy "<<nn<<std::endl;
+      axpy(out,-1.0,tmp,out);
+    }
 };
 
-  Gamma::Algebra Gmu [] = {
-    Gamma::Algebra::GammaX,
-    Gamma::Algebra::GammaY,
-    Gamma::Algebra::GammaZ,
-    Gamma::Algebra::GammaT
-  };
+NAMESPACE_END(Grid);
 
 int main (int argc, char ** argv)
 {
+  char hostname[HOST_NAME_MAX+1];
+  gethostname(hostname, HOST_NAME_MAX+1);
+  std::string host(hostname);
+  
   Grid_init(&argc,&argv);
 
   const int Ls=12;
 
-  std::cout << GridLogMessage << "::::: NB: to enable a quick bit reproducibility check use the --checksums flag. " << std::endl;
-
-  { 
   GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplexD::Nsimd()),GridDefaultMpi());
   GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
   GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
@@ -89,10 +121,17 @@ int main (int argc, char ** argv)
   result_o_2.Checkerboard() = Odd;
   result_o_2 = Zero();
 
-  SchurDiagMooeeOperator<DomainWallFermionD,LatticeFermionD> HermOpEO(Ddwf);
-  SchurDiagMooeeOperator<DomainWallFermionF,LatticeFermionF> HermOpEO_f(Ddwf_f);
+  SchurDiagMooeeOperatorParanoid<DomainWallFermionD,LatticeFermionD> HermOpEO(Ddwf);
+  SchurDiagMooeeOperatorParanoid<DomainWallFermionF,LatticeFermionF> HermOpEO_f(Ddwf_f);
+
+  int nsecs=600;
+  if( GridCmdOptionExists(argv,argv+argc,"--seconds") ){
+    std::string arg = GridCmdOptionPayload(argv,argv+argc,"--seconds");
+    GridCmdOptionInt(arg,nsecs);
+  }
+  
+  std::cout << GridLogMessage << "::::::::::::: Starting mixed CG for "<<nsecs <<" seconds" << std::endl;
 
-  std::cout << GridLogMessage << "::::::::::::: Starting mixed CG" << std::endl;
   MixedPrecisionConjugateGradient<LatticeFermionD,LatticeFermionF> mCG(1.0e-8, 10000, 50, FrbGrid_f, HermOpEO_f, HermOpEO);
   double t1,t2,flops;
   double MdagMsiteflops = 1452; // Mobius (real coeffs)
@@ -101,7 +140,19 @@ int main (int argc, char ** argv)
   std:: cout << " MdagM site flops = "<< 4*MdagMsiteflops<<std::endl;
   std:: cout << " CG    site flops = "<< CGsiteflops <<std::endl;
   int iters;
-  for(int i=0;i<10;i++){
+
+  time_t start = time(NULL);
+
+  uint32_t csum, csumref;
+  csumref=0;
+  int iter=0;
+  do {
+    if ( iter == 0 ) {
+      SetGridNormLoggingMode(GridNormLoggingModeRecord);
+    } else {
+      SetGridNormLoggingMode(GridNormLoggingModeVerify);
+    }
+    std::cerr << "******************* SINGLE PRECISION SOLVE "<<iter<<std::endl;
     result_o = Zero();
     t1=usecond();
     mCG(src_o,result_o);
@@ -111,10 +162,33 @@ int main (int argc, char ** argv)
     flops+= CGsiteflops*FrbGrid->gSites()*iters;
     std::cout << " SinglePrecision iterations/sec "<< iters/(t2-t1)*1000.*1000.<<std::endl;
     std::cout << " SinglePrecision GF/s "<< flops/(t2-t1)/1000.<<std::endl;
-  }
-  std::cout << GridLogMessage << "::::::::::::: Starting regular CG" << std::endl;
+
+    csum = crc(result_o);
+
+    if ( csumref == 0 ) {
+      csumref = csum;
+    } else {
+      if ( csum != csumref ) { 
+	std::cerr << host<<" FAILURE " <<iter <<" csum "<<std::hex<<csum<< " != "<<csumref <<std::dec<<std::endl;
+	assert(0);
+      } else {
+	std::cout << host <<" OK " <<iter <<" csum "<<std::hex<<csum<<std::dec<<" -- OK! "<<std::endl;
+      }
+    }
+    iter ++;
+  } while (time(NULL) < (start + nsecs/2) );
+    
+  std::cout << GridLogMessage << "::::::::::::: Starting double precision CG" << std::endl;
   ConjugateGradient<LatticeFermionD> CG(1.0e-8,10000);
-  for(int i=0;i<1;i++){
+  csumref=0;
+  int i=0;
+  do { 
+    if ( i == 0 ) {
+      SetGridNormLoggingMode(GridNormLoggingModeRecord);
+    } else {
+      SetGridNormLoggingMode(GridNormLoggingModeVerify);
+    }
+    std::cerr << "******************* DOUBLE PRECISION SOLVE "<<i<<std::endl;
     result_o_2 = Zero();
     t1=usecond();
     CG(HermOpEO,src_o,result_o_2);
@@ -122,46 +196,30 @@ int main (int argc, char ** argv)
     iters = CG.IterationsToComplete;
     flops = MdagMsiteflops*4*FrbGrid->gSites()*iters; 
     flops+= CGsiteflops*FrbGrid->gSites()*iters;
-    
+
     std::cout << " DoublePrecision iterations/sec "<< iters/(t2-t1)*1000.*1000.<<std::endl;
     std::cout << " DoublePrecision GF/s "<< flops/(t2-t1)/1000.<<std::endl;
-  }
-  
-  //  MemoryManager::Print();
+
+    csum = crc(result_o);
+
+    if ( csumref == 0 ) {
+      csumref = csum;
+    } else {
+      if ( csum != csumref ) { 
+	std::cerr << i <<" csum "<<std::hex<<csum<< " != "<<csumref <<std::dec<<std::endl;
+	assert(0);
+      } else {
+	std::cout << i <<" csum "<<std::hex<<csum<<std::dec<<" -- OK! "<<std::endl;
+      }
+    }
+    i++;
+  } while (time(NULL) < (start + nsecs) );
 
   LatticeFermionD diff_o(FrbGrid);
   RealD diff = axpy_norm(diff_o, -1.0, result_o, result_o_2);
 
   std::cout << GridLogMessage << "::::::::::::: Diff between mixed and regular CG: " << diff << std::endl;
-
-  #ifdef HAVE_LIME
-  if( GridCmdOptionExists(argv,argv+argc,"--checksums") ){
+  assert(diff < 1e-4);
   
-  std::string file1("./Propagator1");
-  emptyUserRecord record;
-  uint32_t nersc_csum;
-  uint32_t scidac_csuma;
-  uint32_t scidac_csumb;
-  typedef SpinColourVectorD   FermionD;
-  typedef vSpinColourVectorD vFermionD;
-
-  BinarySimpleMunger<FermionD,FermionD> munge;
-  std::string format = getFormatString<vFermionD>();
-  
-  BinaryIO::writeLatticeObject<vFermionD,FermionD>(result_o,file1,munge, 0, format,
-						   nersc_csum,scidac_csuma,scidac_csumb);
-
-  std::cout << GridLogMessage << " Mixed checksums "<<std::hex << scidac_csuma << " "<<scidac_csumb<<std::endl;
-
-  BinaryIO::writeLatticeObject<vFermionD,FermionD>(result_o_2,file1,munge, 0, format,
-						   nersc_csum,scidac_csuma,scidac_csumb);
-
-  std::cout << GridLogMessage << " CG checksums "<<std::hex << scidac_csuma << " "<<scidac_csumb<<std::endl;
-  }
-  #endif
-  }
-  
-  MemoryManager::Print();
-
   Grid_finalize();
 }

tests/core/Test_sliceSum.cc

@@ -0,0 +1,321 @@
+#include <Grid/Grid.h>
+
+template<class vobj> inline void sliceSumCPU(const Grid::Lattice<vobj> &Data,std::vector<typename vobj::scalar_object> &result,int orthogdim)
+{
+  using namespace Grid;
+  ///////////////////////////////////////////////////////
+  // FIXME precision promoted summation
+  // may be important for correlation functions
+  // But easily avoided by using double precision fields
+  ///////////////////////////////////////////////////////
+  typedef typename vobj::scalar_object sobj;
+  typedef typename vobj::scalar_object::scalar_type scalar_type;
+  GridBase  *grid = Data.Grid();
+  assert(grid!=NULL);
+
+  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];
+
+  Vector<vobj> lvSum(rd); // will locally sum vectors first
+  Vector<sobj> lsSum(ld,Zero());                    // sum across these down to scalars
+  ExtractBuffer<sobj> extracted(Nsimd);                  // splitting the SIMD
+
+  result.resize(fd); // And then global sum to return the same vector to every node 
+  for(int r=0;r<rd;r++){
+    lvSum[r]=Zero();
+  }
+
+  int e1=    grid->_slice_nblock[orthogdim];
+  int e2=    grid->_slice_block [orthogdim];
+  int stride=grid->_slice_stride[orthogdim];
+  int ostride=grid->_ostride[orthogdim];
+  
+  //Reduce Data down to lvSum
+  sliceSumReduction_cpu(Data,lvSum,rd, e1,e2,stride,ostride,Nsimd);
+
+  // Sum across simd lanes in the plane, breaking out orthog dir.
+  Coordinate icoor(Nd);
+
+  for(int rt=0;rt<rd;rt++){
+
+    extract(lvSum[rt],extracted);
+
+    for(int idx=0;idx<Nsimd;idx++){
+
+      grid->iCoorFromIindex(icoor,idx);
+
+      int ldx =rt+icoor[orthogdim]*rd;
+
+      lsSum[ldx]=lsSum[ldx]+extracted[idx];
+
+    }
+  }
+  
+  // sum over nodes.
+  for(int t=0;t<fd;t++){
+    int pt = t/ld; // processor plane
+    int lt = t%ld;
+    if ( pt == grid->_processor_coor[orthogdim] ) {
+      result[t]=lsSum[lt];
+    } else {
+      result[t]=Zero();
+    }
+
+  }
+  scalar_type * ptr = (scalar_type *) &result[0];
+  int words = fd*sizeof(sobj)/sizeof(scalar_type);
+  grid->GlobalSumVector(ptr, words);
+}
+
+
+int main (int argc, char ** argv) {
+    
+    using namespace Grid;
+
+    Grid_init(&argc,&argv);
+
+
+    Coordinate latt_size({64,64,64,16});
+    auto simd_layout = GridDefaultSimd(Nd, vComplexD::Nsimd());
+    auto mpi_layout = GridDefaultMpi();
+    GridCartesian Grid(latt_size, simd_layout, mpi_layout);
+
+    std::vector<int> seeds({1, 2, 3, 4});
+
+    GridParallelRNG pRNG(&Grid);
+    pRNG.SeedFixedIntegers(seeds);
+
+    LatticeComplexD test_data(&Grid);
+    gaussian(pRNG,test_data);
+
+    std::vector<TComplexD> reduction_reference;
+    std::vector<TComplexD> reduction_result;
+
+    //warmup
+    for (int sweeps = 0; sweeps < 5; sweeps++) {
+      reduction_result = sliceSum(test_data,0);
+    }
+
+    int trace_id = traceStart("sliceSum benchmark - ComplexD");
+    std::cout << GridLogMessage << "Testing ComplexD" << std::endl;
+    std::cout << GridLogMessage << "sizeof(ComplexD) = " << sizeof(ComplexD) << std::endl;
+    std::cout << GridLogMessage << "sizeof(vComplexD) = " << sizeof(vComplexD) << std::endl;
+    for (int i = 0; i < Nd; i++) {
+
+      RealD t=-usecond();
+
+      tracePush("sliceSum");
+      sliceSumCPU(test_data,reduction_reference,i);
+      tracePop("sliceSum");
+
+      t+=usecond();
+      std::cout << GridLogMessage << "Orthog. dir. = " << i << std::endl;
+      std::cout << GridLogMessage << "CPU sliceSum took "<<t<<" usecs"<<std::endl;
+      
+      
+      RealD tgpu=-usecond();
+
+      tracePush("sliceSumGpu");
+      reduction_result = sliceSum(test_data,i);
+      tracePop("sliceSumGpu");
+
+      tgpu+=usecond();
+
+      std::cout << GridLogMessage <<"GPU sliceSum took "<<tgpu<<" usecs"<<std::endl<<std::endl;;
+
+
+      for(int t=0;t<reduction_reference.size();t++) {
+
+        auto diff = reduction_reference[t]-reduction_result[t];
+        assert(abs(TensorRemove(diff)) < 1e-8 );
+
+      }
+
+    
+    }
+    traceStop(trace_id);
+
+    LatticeSpinVectorD test_data_cv(&Grid);
+    gaussian(pRNG,test_data_cv);
+
+    std::vector<SpinVectorD> reduction_reference_cv;
+    std::vector<SpinVectorD> reduction_result_cv;
+
+    //warmup
+    for (int sweeps = 0; sweeps < 5; sweeps++) {
+      reduction_result_cv = sliceSum(test_data_cv,0);
+    }
+    trace_id = traceStart("sliceSum benchmark - SpinVectorD");
+
+    std::cout << GridLogMessage << "Testing SpinVectorD" << std::endl;
+    std::cout << GridLogMessage << "sizeof(SpinVectorD) = " << sizeof(SpinVectorD) << std::endl;
+    std::cout << GridLogMessage << "sizeof(vSpinVectorD) = " << sizeof(vSpinVectorD) << std::endl;
+    for (int i = 0; i < Nd; i++) {
+
+      RealD t=-usecond();
+
+      tracePush("sliceSum");
+      sliceSumCPU(test_data_cv,reduction_reference_cv,i);
+      tracePop("sliceSum");
+
+      t+=usecond();
+      std::cout << GridLogMessage << "Orthog. dir. = " << i << std::endl;
+      std::cout << GridLogMessage << "CPU sliceSum took "<<t<<" usecs"<<std::endl;
+      
+      
+      RealD tgpu=-usecond();
+
+      tracePush("sliceSumGpu");
+      reduction_result_cv = sliceSum(test_data_cv,i);
+      tracePop("sliceSumGpu");
+
+      tgpu+=usecond();
+
+      std::cout << GridLogMessage <<"GPU sliceSum took "<<tgpu<<" usecs"<<std::endl<<std::endl;;
+
+
+      for(int t=0;t<reduction_reference_cv.size();t++) {
+
+        auto diff = reduction_reference_cv[t]-reduction_result_cv[t];
+        assert(abs(diff()(0)()) < 1e-8 );
+        assert(abs(diff()(1)()) < 1e-8 );
+        assert(abs(diff()(2)()) < 1e-8 );
+        assert(abs(diff()(3)()) < 1e-8 );
+
+      }
+
+    
+    }
+    traceStop(trace_id);
+
+    LatticeSpinColourVectorD test_data_scv(&Grid);
+    gaussian(pRNG,test_data_scv);
+
+    std::vector<SpinColourVectorD> reduction_reference_scv;
+    std::vector<SpinColourVectorD> reduction_result_scv;
+
+    //warmup
+    for (int sweeps = 0; sweeps < 5; sweeps++) {
+      reduction_result_scv = sliceSum(test_data_scv,0);
+    }
+    trace_id = traceStart("sliceSum benchmark - SpinColourVectorD");
+
+    std::cout << GridLogMessage << "Testing SpinColourVectorD" << std::endl;
+    std::cout << GridLogMessage << "sizeof(SpinColourVectorD) = " << sizeof(SpinColourVectorD) << std::endl;
+    std::cout << GridLogMessage << "sizeof(vSpinColourVectorD) = " << sizeof(vSpinColourVectorD) << std::endl;
+    for (int i = 0; i < Nd; i++) {
+
+      RealD t=-usecond();
+
+      tracePush("sliceSum");
+      sliceSumCPU(test_data_scv,reduction_reference_scv,i);
+      tracePop("sliceSum");
+
+      t+=usecond();
+      std::cout << GridLogMessage << "Orthog. dir. = " << i << std::endl;
+      std::cout << GridLogMessage << "CPU sliceSum took "<<t<<" usecs"<<std::endl;
+      
+      
+      RealD tgpu=-usecond();
+
+      tracePush("sliceSumGpu");
+      reduction_result_scv = sliceSum(test_data_scv,i);
+      tracePop("sliceSumGpu");
+
+      tgpu+=usecond();
+
+      std::cout << GridLogMessage <<"GPU sliceSum took "<<tgpu<<" usecs"<<std::endl<<std::endl;;
+
+
+      for(int t=0;t<reduction_reference_scv.size();t++) {
+
+        auto diff = reduction_reference_scv[t]-reduction_result_scv[t];
+        // std::cout << diff <<std::endl;
+        assert(abs(diff()(0)(0)) < 1e-8 );
+        assert(abs(diff()(0)(1)) < 1e-8 );
+        assert(abs(diff()(0)(2)) < 1e-8 );
+        assert(abs(diff()(1)(0)) < 1e-8 );
+        assert(abs(diff()(1)(1)) < 1e-8 );
+        assert(abs(diff()(1)(2)) < 1e-8 );    
+        assert(abs(diff()(2)(0)) < 1e-8 );
+        assert(abs(diff()(2)(1)) < 1e-8 );
+        assert(abs(diff()(2)(2)) < 1e-8 );    
+        assert(abs(diff()(3)(0)) < 1e-8 );
+        assert(abs(diff()(3)(1)) < 1e-8 );
+        assert(abs(diff()(3)(2)) < 1e-8 );
+
+      }
+
+    
+    }
+    traceStop(trace_id);
+
+    LatticeSpinColourMatrixD test_data_scm(&Grid);
+    gaussian(pRNG,test_data_scm);
+
+    std::vector<SpinColourMatrixD> reduction_reference_scm;
+    std::vector<SpinColourMatrixD> reduction_result_scm;
+
+    //warmup
+    for (int sweeps = 0; sweeps < 5; sweeps++) {
+      reduction_result_scm = sliceSum(test_data_scm,0);
+    }
+    trace_id = traceStart("sliceSum benchmark - SpinColourMatrixD");
+
+    std::cout << GridLogMessage << "Testing SpinColourMatrixD" << std::endl;
+    std::cout << GridLogMessage << "sizeof(SpinColourMatrixD) = " << sizeof(SpinColourMatrixD) << std::endl;
+    std::cout << GridLogMessage << "sizeof(vSpinColourMatrixD) = " << sizeof(vSpinColourMatrixD) << std::endl;
+    for (int i = 0; i < Nd; i++) {
+
+      RealD t=-usecond();
+
+      tracePush("sliceSum");
+      sliceSumCPU(test_data_scm,reduction_reference_scm,i);
+      tracePop("sliceSum");
+
+      t+=usecond();
+      std::cout << GridLogMessage << "Orthog. dir. = " << i << std::endl;
+      std::cout << GridLogMessage << "CPU sliceSum took "<<t<<" usecs"<<std::endl;
+      
+      
+      RealD tgpu=-usecond();
+
+      tracePush("sliceSumGpu");
+      reduction_result_scm = sliceSum(test_data_scm,i);
+      tracePop("sliceSumGpu");
+
+      tgpu+=usecond();
+
+      std::cout << GridLogMessage <<"GPU sliceSum took "<<tgpu<<" usecs"<<std::endl<<std::endl;;
+
+
+      for(int t=0;t<reduction_reference_scm.size();t++) {
+
+        auto diff = reduction_reference_scm[t]-reduction_result_scm[t];
+        // std::cout << diff <<std::endl;
+        for (int is = 0; is < Ns; is++) {
+          for (int js = 0; js < Ns; js++) {
+            for (int ic = 0; ic < Nc; ic++) {
+              for (int jc = 0; jc < Nc; jc++) {
+                assert(abs(diff()(is,js)(ic,jc)) < 1e-8);
+              }
+            }
+          }
+        }
+
+      }
+
+    
+    }
+    traceStop(trace_id);
+
+    Grid_finalize();
+    return 0;
+}

tests/debug/Test_padded_cell.cc

@@ -32,6 +32,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 using namespace std;
 using namespace Grid;
 
+// This is to optimize the SIMD
 template<class vobj> void gpermute(vobj & inout,int perm){
   vobj tmp=inout;
   if (perm & 0x1 ) { permute(inout,tmp,0); tmp=inout;}
@@ -39,7 +40,8 @@ template<class vobj> void gpermute(vobj & inout,int perm){
   if (perm & 0x4 ) { permute(inout,tmp,2); tmp=inout;}
   if (perm & 0x8 ) { permute(inout,tmp,3); tmp=inout;}
 }
-  
+
+
 int main (int argc, char ** argv)
 {
   Grid_init(&argc,&argv);
@@ -47,20 +49,21 @@ int main (int argc, char ** argv)
   Coordinate latt_size  = GridDefaultLatt();
   Coordinate simd_layout= GridDefaultSimd(Nd,vComplexD::Nsimd());
   Coordinate mpi_layout = GridDefaultMpi();
-  std::cout << " mpi "<<mpi_layout<<std::endl;
-  std::cout << " simd "<<simd_layout<<std::endl;
-  std::cout << " latt "<<latt_size<<std::endl;
+  std::cout << GridLogMessage << " mpi "<<mpi_layout<<std::endl;
+  std::cout << GridLogMessage << " simd "<<simd_layout<<std::endl;
+  std::cout << GridLogMessage << " latt "<<latt_size<<std::endl;
   GridCartesian GRID(latt_size,simd_layout,mpi_layout);
 
+  // Initialize configuration as hot start.
   GridParallelRNG   pRNG(&GRID);
-  pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
   LatticeGaugeField Umu(&GRID);
-
+  pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
   SU<Nc>::HotConfiguration(pRNG,Umu);
 
   Real plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
   LatticeComplex trplaq(&GRID);
 
+  // Store Umu in U. Peek/Poke mean respectively getElement/setElement.
   std::vector<LatticeColourMatrix> U(Nd, Umu.Grid());
   for (int mu = 0; mu < Nd; mu++) {
     U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
@@ -70,9 +73,7 @@ int main (int argc, char ** argv)
 
   LatticeComplex cplaq(&GRID); cplaq=Zero();
 
-  /////////////////////////////////////////////////
   // Create a padded cell of extra padding depth=1
-  /////////////////////////////////////////////////
   int depth = 1;
   PaddedCell Ghost(depth,&GRID);
   LatticeGaugeField Ughost = Ghost.Exchange(Umu);
@@ -114,18 +115,25 @@ int main (int argc, char ** argv)
   }
 #endif
 
-  ///// Array for the site plaquette
+  // Array for the site plaquette
   GridBase *GhostGrid = Ughost.Grid();
   LatticeComplex gplaq(GhostGrid); 
-  
+
+  // Now we're going to put together the "stencil" that will be useful to us when
+  // calculating the plaquette. Our eventual goal is to make the product
+  //    Umu(x) Unu(x+mu) Umu^dag(x+nu) Unu^dag(x),
+  // which requires, in order, the sites x, x+mu, x+nu, and x. We arrive at these
+  // sites relative to x through "shifts", which is represented here by a 4-d
+  // vector of 0s (no movement) and 1s (shift one unit) at each site. The
+  // "stencil" is the set of all these shifts.
   std::vector<Coordinate> shifts;
   for(int mu=0;mu<Nd;mu++){
     for(int nu=mu+1;nu<Nd;nu++){
-  
-      //    Umu(x) Unu(x+mu) Umu^dag(x+nu) Unu^dag(x)
       Coordinate shift_0(Nd,0);
       Coordinate shift_mu(Nd,0); shift_mu[mu]=1;
       Coordinate shift_nu(Nd,0); shift_nu[nu]=1;
+      // push_back creates an element at the end of shifts and
+      // assigns the data in the argument to it.
       shifts.push_back(shift_0);
       shifts.push_back(shift_mu);
       shifts.push_back(shift_nu);
@@ -135,41 +143,51 @@ int main (int argc, char ** argv)
   GeneralLocalStencil gStencil(GhostGrid,shifts);
 
   gplaq=Zero();
-  {
-    autoView( gp_v , gplaq, CpuWrite);
-    autoView( t_v , trplaq, CpuRead);
-    autoView( U_v , Ughost, CpuRead);
-    for(int ss=0;ss<gp_v.size();ss++){
-      int s=0;
-      for(int mu=0;mu<Nd;mu++){
-	for(int nu=mu+1;nu<Nd;nu++){
 
-	  auto SE0 = gStencil.GetEntry(s+0,ss);
-	  auto SE1 = gStencil.GetEntry(s+1,ss);
-	  auto SE2 = gStencil.GetEntry(s+2,ss);
-	  auto SE3 = gStencil.GetEntry(s+3,ss);
-	
-	  int o0 = SE0->_offset;
-	  int o1 = SE1->_offset;
-	  int o2 = SE2->_offset;
-	  int o3 = SE3->_offset;
-	  
-	  auto U0 = U_v[o0](mu);
-	  auto U1 = U_v[o1](nu);
-	  auto U2 = adj(U_v[o2](mu));
-	  auto U3 = adj(U_v[o3](nu));
+  // Before doing accelerator stuff, there is an opening and closing of "Views". I guess the
+  // "Views" are stored in *_v variables listed below.
+  autoView( gp_v , gplaq, CpuWrite);
+  autoView( t_v , trplaq, CpuRead);
+  autoView( U_v , Ughost, CpuRead);
 
-	  gpermute(U0,SE0->_permute);
-	  gpermute(U1,SE1->_permute);
-	  gpermute(U2,SE2->_permute);
-	  gpermute(U3,SE3->_permute);
-	  
-	  gp_v[ss]() =gp_v[ss]() + trace( U0*U1*U2*U3 );
-	  s=s+4;
-	}
-      }
+  // This is now a loop over stencil shift elements. That is, s increases as we make our
+  // way through the spacetimes sites, but also as we make our way around the plaquette.
+  for(int ss=0;ss<gp_v.size();ss++){
+    int s=0;
+    for(int mu=0;mu<Nd;mu++){
+    	for(int nu=mu+1;nu<Nd;nu++){
+    
+    	  auto SE0 = gStencil.GetEntry(s+0,ss);
+    	  auto SE1 = gStencil.GetEntry(s+1,ss);
+    	  auto SE2 = gStencil.GetEntry(s+2,ss);
+    	  auto SE3 = gStencil.GetEntry(s+3,ss);
+
+        // Due to our strategy, each offset corresponds to a site.
+    	  int o0 = SE0->_offset;
+    	  int o1 = SE1->_offset;
+    	  int o2 = SE2->_offset;
+    	  int o3 = SE3->_offset;
+    	  
+    	  auto U0 = U_v[o0](mu);
+    	  auto U1 = U_v[o1](nu);
+    	  auto U2 = adj(U_v[o2](mu));
+    	  auto U3 = adj(U_v[o3](nu));
+    
+    	  gpermute(U0,SE0->_permute);
+    	  gpermute(U1,SE1->_permute);
+    	  gpermute(U2,SE2->_permute);
+    	  gpermute(U3,SE3->_permute);
+    	  
+    	  gp_v[ss]() =gp_v[ss]() + trace( U0*U1*U2*U3 );
+    	  s=s+4;
+    	}
     }
   }
+
+  // Here is my understanding of this part: The padded cell has its own periodic BCs, so
+  // if I take a step to the right at the right-most side of the cell, I end up on the
+  // left-most side. This means that the plaquettes in the padding are wrong. Luckily
+  // all we care about are the plaquettes in the cell, which we obtain from Extract.
   cplaq = Ghost.Extract(gplaq);
   RealD vol = cplaq.Grid()->gSites();
   RealD faces = (Nd * (Nd-1))/2;

tests/smearing/Test_fatLinks.cc

@@ -0,0 +1,181 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./tests/smearing/Test_fatLinks.cc
+
+Copyright (C) 2023
+
+Author: D. A. Clarke <clarke.davida@gmail.com> 
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*
+    @file Test_fatLinks.cc
+    @brief test of the HISQ smearing 
+*/
+
+
+#include <Grid/Grid.h>
+#include <Grid/lattice/PaddedCell.h>
+#include <Grid/stencil/GeneralLocalStencil.h>
+#include <Grid/qcd/smearing/HISQSmearing.h>
+using namespace Grid;
+
+
+/*!  @brief parameter file to easily adjust Nloop */
+struct ConfParameters: Serializable {
+    GRID_SERIALIZABLE_CLASS_MEMBERS(
+        ConfParameters,
+        int, benchmark, 
+        int, Nloop);
+
+    template <class ReaderClass>
+    ConfParameters(Reader<ReaderClass>& Reader){
+        read(Reader, "parameters", *this);
+    }
+};
+
+
+bool testSmear(GridCartesian& GRID, LatticeGaugeFieldD Umu, LatticeGaugeFieldD Usmr, LatticeGaugeFieldD Unaik, 
+               LatticeGaugeFieldD Ucontrol, Real c1, Real cnaik, Real c3, Real c5, Real c7, Real clp) {
+    Smear_HISQ<PeriodicGimplD> hisq_fat(&GRID,c1,cnaik,c3,c5,c7,clp);
+    LatticeGaugeFieldD diff(&GRID), Uproj(&GRID);
+    hisq_fat.smear(Usmr, Unaik, Umu);
+    bool result;
+    if (cnaik < 1e-30) { // Testing anything but Naik term
+        diff = Ucontrol-Usmr;
+        auto absDiff = norm2(diff)/norm2(Ucontrol);
+        if (absDiff < 1e-30) {
+            Grid_pass(" |Umu-Usmr|/|Umu| = ",absDiff);
+            result = true;
+        } else {
+            Grid_error(" |Umu-Usmr|/|Umu| = ",absDiff);
+            result = false;
+        }
+    } else { // Testing Naik specifically
+        diff = Ucontrol-Unaik;
+        auto absDiff = norm2(diff)/norm2(Ucontrol);
+        if (absDiff < 1e-30) {
+            Grid_pass(" |Umu-Unaik|/|Umu| = ",absDiff);
+            result = true;
+        } else {
+            Grid_error(" |Umu-Unaik|/|Umu| = ",absDiff);
+            result = false;
+        }
+        hisq_fat.projectU3(Uproj,Ucontrol);
+//        NerscIO::writeConfiguration(Unaik,"nersc.l8t4b3360.naik");
+    }
+    return result;
+}
+
+
+int main (int argc, char** argv) {
+
+    // Params for the test.
+    int Ns = 8;
+    int Nt = 4;
+    Coordinate latt_size(Nd,0); latt_size[0]=Ns; latt_size[1]=Ns; latt_size[2]=Ns; latt_size[3]=Nt;
+    std::string conf_in  = "nersc.l8t4b3360";
+    int threads          = GridThread::GetThreads();
+
+    typedef LatticeGaugeFieldD LGF;
+
+    // Initialize the Grid
+    Grid_init(&argc,&argv);
+    Coordinate simd_layout = GridDefaultSimd(Nd,vComplexD::Nsimd());
+    Coordinate mpi_layout  = GridDefaultMpi();
+    Grid_log("mpi     = ",mpi_layout);
+    Grid_log("simd    = ",simd_layout);
+    Grid_log("latt    = ",latt_size);
+    Grid_log("threads = ",threads);
+    GridCartesian GRID(latt_size,simd_layout,mpi_layout);
+
+    XmlReader Reader("fatParams.xml",false,"grid");
+    ConfParameters param(Reader);
+    if(param.benchmark) Grid_log("  Nloop = ",param.Nloop);
+
+    LGF Umu(&GRID), Usmr(&GRID), Unaik(&GRID), Ucontrol(&GRID);
+
+    // Read the configuration into Umu
+    FieldMetaData header;
+    NerscIO::readConfiguration(Umu, header, conf_in);
+
+    bool pass=true;
+
+    // Carry out various tests    
+    NerscIO::readConfiguration(Ucontrol, header, "nersc.l8t4b3360.357lplink.control");
+    pass *= testSmear(GRID,Umu,Usmr,Unaik,Ucontrol,1/8.,0.,1/16.,1/64.,1/384.,-1/8.);
+    NerscIO::readConfiguration(Ucontrol, header, "nersc.l8t4b3360.357link.control");
+    pass *= testSmear(GRID,Umu,Usmr,Unaik,Ucontrol,1/8.,0.,1/16.,1/64.,1/384.,0.);
+    NerscIO::readConfiguration(Ucontrol, header, "nersc.l8t4b3360.35link.control");
+    pass *= testSmear(GRID,Umu,Usmr,Unaik,Ucontrol,1/8.,0.,1/16.,1/64.,0.,0.);
+    NerscIO::readConfiguration(Ucontrol, header, "nersc.l8t4b3360.3link.control");
+    pass *= testSmear(GRID,Umu,Usmr,Unaik,Ucontrol,1/8.,0.,1/16.,0.,0.,0.);
+    NerscIO::readConfiguration(Ucontrol, header, "nersc.l8t4b3360.naik.control");
+    pass *= testSmear(GRID,Umu,Usmr,Unaik,Ucontrol,0.,0.8675309,0.,0.,0.,0.);
+
+    if(pass){
+        Grid_pass("All tests passed.");
+    } else {
+        Grid_error("At least one test failed.");
+    }
+
+    // Test a C-style instantiation 
+    double path_coeff[6] = {1, 2, 3, 4, 5, 6};
+    Smear_HISQ<PeriodicGimplD> hisq_fat_Cstyle(&GRID,path_coeff);
+
+    if (param.benchmark) {
+
+        autoView(U_v, Umu, CpuRead); // Gauge accessor
+
+        // Read in lattice sequentially, Nloop times 
+        double lookupTime = 0.; 
+        for(int i=0;i<param.Nloop;i++) {
+            double start = usecond();
+            for(int ss=0;ss<U_v.size();ss++)
+                for(int mu=0;mu<Nd;mu++) {
+                    auto U1 = U_v[ss](mu);
+            }
+            double stop  = usecond();
+        	lookupTime += stop-start; // microseconds
+        }
+        Grid_log("Time to lookup: ",lookupTime,"[ms]");
+
+        // Raise a matrix to the power nmat, for each link. 
+        auto U1 = U_v[0](0);
+        for(int nmat=1;nmat<8;nmat++) {
+            double multTime = 0.; 
+            for(int i=0;i<param.Nloop;i++) {
+                double start=usecond();
+                for(int ss=0;ss<U_v.size();ss++)
+                    for(int mu=0;mu<Nd;mu++) {
+                        auto U2 = U1;
+                        for(int j=1;j<nmat;j++) {
+                            U2 *= U1;
+                        }
+                }
+                double stop=usecond();
+                multTime += stop-start;
+            }
+            Grid_log("Time to multiply ",nmat," matrices: ",multTime," [ms]");
+        }
+    }
+
+    Grid_finalize();
+}