Merge branch 'develop' of https://github.com/paboyle/Grid into feature/Lanczos

Conflicts:
	lib/qcd/action/fermion/ImprovedStaggeredFermion.cc

.gitignore

@@ -88,12 +88,18 @@ Thumbs.db
 ###################
 build*/*
 
+# bootstrap #
+#############
+*.tar.bz2*
+
 # IDE related files #
 #####################
 *.xcodeproj/*
 build.sh
 .vscode
 *.code-workspace
+.ctags
+tags
 
 # Eigen source #
 ################
@@ -123,6 +129,7 @@ make-bin-BUCK.sh
 #####################
 lib/qcd/spin/gamma-gen/*.h
 lib/qcd/spin/gamma-gen/*.cc
+lib/version.h
 
 # vs code editor files #
 ########################

.travis.yml

@@ -19,6 +19,8 @@ before_install:
     - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew install libmpc; fi
     
 install:
+    - export CWD=`pwd`
+    - echo $CWD
     - export CC=$CC$VERSION
     - export CXX=$CXX$VERSION
     - echo $PATH
@@ -36,11 +38,22 @@ script:
     - ./bootstrap.sh
     - mkdir build
     - cd build
-    - ../configure --enable-precision=single --enable-simd=SSE4 --enable-comms=none
+    - mkdir lime
+    - cd lime
+    - mkdir build
+    - cd build
+    - wget http://usqcd-software.github.io/downloads/c-lime/lime-1.3.2.tar.gz
+    - tar xf lime-1.3.2.tar.gz
+    - cd lime-1.3.2
+    - ./configure --prefix=$CWD/build/lime/install
+    - make -j4
+    - make install
+    - cd $CWD/build
+    - ../configure --enable-precision=single --enable-simd=SSE4 --enable-comms=none --with-lime=$CWD/build/lime/install
     - make -j4 
     - ./benchmarks/Benchmark_dwf --threads 1 --debug-signals
     - echo make clean
-    - ../configure --enable-precision=double --enable-simd=SSE4 --enable-comms=none
+    - ../configure --enable-precision=double --enable-simd=SSE4 --enable-comms=none --with-lime=$CWD/build/lime/install
     - make -j4
     - ./benchmarks/Benchmark_dwf --threads 1 --debug-signals
     - make check

Makefile.am

@@ -5,6 +5,10 @@ include $(top_srcdir)/doxygen.inc
 
 bin_SCRIPTS=grid-config
 
+BUILT_SOURCES = version.h
+
+version.h:
+	echo "`git log -n 1 --format=format:"#define GITHASH \\"%H:%d\\"%n" HEAD`" > $(srcdir)/lib/version.h
 
 .PHONY: bench check tests doxygen-run doxygen-doc $(DX_PS_GOAL) $(DX_PDF_GOAL)
 

README.md

@@ -187,10 +187,11 @@ Alternatively, some CPU codenames can be directly used:
 | `<code>`    | Description                            |
 | ----------- | -------------------------------------- |
 | `KNL`       | [Intel Xeon Phi codename Knights Landing](http://ark.intel.com/products/codename/48999/Knights-Landing) |
+| `SKL`       | [Intel Skylake with AVX512 extensions](https://ark.intel.com/products/codename/37572/Skylake#@server) |
 | `BGQ`       | Blue Gene/Q                            |
 
 #### Notes:
-- We currently support AVX512 only for the Intel compiler. Support for GCC and clang will appear in future versions of Grid when the AVX512 support within GCC and clang will be more advanced.
+- We currently support AVX512 for the Intel compiler and GCC (KNL and SKL target). Support for clang will appear in future versions of Grid when the AVX512 support in the compiler will be more advanced.
 - For BG/Q only [bgclang](http://trac.alcf.anl.gov/projects/llvm-bgq) is supported. We do not presently plan to support more compilers for this platform.
 - BG/Q performances are currently rather poor. This is being investigated for future versions.
 - The vector size for the `GEN` target can be specified with the `configure` script option `--enable-gen-simd-width`.

VERSION

@@ -1,4 +1,4 @@
-Version : 0.7.0
+Version : 0.8.0
 
 - Clang 3.5 and above, ICPC v16 and above, GCC 6.3 and above recommended
 - MPI and MPI3 comms optimisations for KNL and OPA finished

benchmarks/Benchmark_IO.cc

@@ -0,0 +1,108 @@
+#include <Grid/Grid.h>
+#ifdef HAVE_LIME
+
+using namespace std;
+using namespace Grid;
+using namespace Grid::QCD;
+
+#define MSG cout << GridLogMessage
+#define SEP \
+"============================================================================="
+#ifndef BENCH_IO_LMAX
+#define BENCH_IO_LMAX 40
+#endif
+
+typedef function<void(const string, LatticeFermion &)> WriterFn;
+typedef function<void(LatticeFermion &, const string)> ReaderFn;
+
+string filestem(const int l)
+{
+  return "iobench_l" + to_string(l);
+}
+
+void limeWrite(const string filestem, LatticeFermion &vec)
+{
+  emptyUserRecord record;
+  ScidacWriter    binWriter(vec._grid->IsBoss());
+
+  binWriter.open(filestem + ".bin");
+  binWriter.writeScidacFieldRecord(vec, record);
+  binWriter.close();
+}
+
+void limeRead(LatticeFermion &vec, const string filestem)
+{
+  emptyUserRecord record;
+  ScidacReader    binReader;
+
+  binReader.open(filestem + ".bin");
+  binReader.readScidacFieldRecord(vec, record);
+  binReader.close();
+}
+
+void writeBenchmark(const int l, const WriterFn &write)
+{
+  auto                      mpi  = GridDefaultMpi();
+  auto                      simd = GridDefaultSimd(Nd, vComplex::Nsimd());
+  vector<int>               latt = {l*mpi[0], l*mpi[1], l*mpi[2], l*mpi[3]};
+  unique_ptr<GridCartesian> gPt(SpaceTimeGrid::makeFourDimGrid(latt, simd, mpi));
+  GridCartesian             *g = gPt.get();
+  GridParallelRNG           rng(g);
+  LatticeFermion            vec(g);
+  emptyUserRecord           record;
+  ScidacWriter              binWriter(g->IsBoss());
+
+  cout << "-- Local volume " << l << "^4" << endl;
+  random(rng, vec);
+  write(filestem(l), vec);
+}
+
+void readBenchmark(const int l, const ReaderFn &read)
+{
+  auto                      mpi  = GridDefaultMpi();
+  auto                      simd = GridDefaultSimd(Nd, vComplex::Nsimd());
+  vector<int>               latt = {l*mpi[0], l*mpi[1], l*mpi[2], l*mpi[3]};
+  unique_ptr<GridCartesian> gPt(SpaceTimeGrid::makeFourDimGrid(latt, simd, mpi));
+  GridCartesian             *g = gPt.get();
+  LatticeFermion            vec(g);
+  emptyUserRecord           record;
+  ScidacReader              binReader;
+
+  cout << "-- Local volume " << l << "^4" << endl;
+  read(vec, filestem(l));
+}
+
+int main (int argc, char ** argv)
+{
+  Grid_init(&argc,&argv);
+
+  auto simd = GridDefaultSimd(Nd,vComplex::Nsimd());
+  auto mpi  = GridDefaultMpi();
+
+  int64_t threads = GridThread::GetThreads();
+  MSG << "Grid is setup to use " << threads << " threads" << endl;
+  MSG << SEP << endl;
+  MSG << "Benchmark Lime write" << endl;
+  MSG << SEP << endl;
+  for (int l = 4; l <= BENCH_IO_LMAX; l += 2)
+  {
+    writeBenchmark(l, limeWrite);
+  }
+
+  MSG << "Benchmark Lime read" << endl;
+  MSG << SEP << endl;
+  for (int l = 4; l <= BENCH_IO_LMAX; l += 2)
+  {
+    readBenchmark(l, limeRead);
+  }
+
+  Grid_finalize();
+
+  return EXIT_SUCCESS;
+}
+#else
+int main (int argc, char ** argv)
+{
+  return EXIT_SUCCESS;
+}
+#endif

benchmarks/Benchmark_ITT.cc

@@ -158,8 +158,10 @@ public:
 
 	  dbytes=0;
 	  ncomm=0;
-
-	  parallel_for(int dir=0;dir<8;dir++){
+#ifdef GRID_OMP
+#pragma omp parallel for num_threads(Grid::CartesianCommunicator::nCommThreads)
+#endif
+	  for(int dir=0;dir<8;dir++){
 
 	    double tbytes;
 	    int mu =dir % 4;
@@ -175,9 +177,14 @@ public:
 		int comm_proc = mpi_layout[mu]-1;
 		Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
 	      }
+#ifdef GRID_OMP
+	int tid = omp_get_thread_num(); 
+#else 
+        int tid = dir;
+#endif
 	      tbytes= Grid.StencilSendToRecvFrom((void *)&xbuf[dir][0], xmit_to_rank,
 						 (void *)&rbuf[dir][0], recv_from_rank,
-						 bytes,dir);
+						 bytes,tid);
 	  
 #ifdef GRID_OMP
 #pragma omp atomic

benchmarks/Benchmark_comms.cc

@@ -169,7 +169,11 @@ int main (int argc, char ** argv)
   for(int lat=4;lat<=maxlat;lat+=4){
     for(int Ls=8;Ls<=8;Ls*=2){
 
-      std::vector<int> latt_size  ({lat,lat,lat,lat});
+      std::vector<int> 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;
@@ -446,7 +450,7 @@ int main (int argc, char ** argv)
   }    
 
 
-
+#ifdef GRID_OMP
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
   std::cout<<GridLogMessage << "= Benchmarking threaded STENCIL halo exchange in "<<nmu<<" dimensions"<<std::endl;
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
@@ -485,7 +489,8 @@ int main (int argc, char ** argv)
 	dbytes=0;
 	ncomm=0;
 
-	parallel_for(int dir=0;dir<8;dir++){
+#pragma omp parallel for num_threads(Grid::CartesianCommunicator::nCommThreads)
+	for(int dir=0;dir<8;dir++){
 
 	  double tbytes;
 	  int mu =dir % 4;
@@ -502,9 +507,9 @@ int main (int argc, char ** argv)
 	      int comm_proc = mpi_layout[mu]-1;
 	      Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
 	    }
-
+            int tid = omp_get_thread_num();
 	    tbytes= Grid.StencilSendToRecvFrom((void *)&xbuf[dir][0], xmit_to_rank,
-					       (void *)&rbuf[dir][0], recv_from_rank, bytes,dir);
+					       (void *)&rbuf[dir][0], recv_from_rank, bytes,tid);
 
 #pragma omp atomic
 	    dbytes+=tbytes;
@@ -532,7 +537,7 @@ int main (int argc, char ** argv)
  
     }
   }    
-
+#endif
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
   std::cout<<GridLogMessage << "= All done; Bye Bye"<<std::endl;
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;

benchmarks/Benchmark_dwf.cc

@@ -48,7 +48,6 @@ int main (int argc, char ** argv)
 
 
   int threads = GridThread::GetThreads();
-  std::cout<<GridLogMessage << "Grid is setup to use "<<threads<<" threads"<<std::endl;
 
   std::vector<int> latt4 = GridDefaultLatt();
   int Ls=16;
@@ -57,6 +56,10 @@ int main (int argc, char ** argv)
       std::stringstream ss(argv[i+1]); ss >> Ls;
     }
 
+  GridLogLayout();
+
+  long unsigned int single_site_flops = 8*QCD::Nc*(7+16*QCD::Nc);
+
 
   GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
   GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
@@ -187,7 +190,7 @@ int main (int argc, char ** argv)
     FGrid->Barrier();
     
     double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-    double flops=1344*volume*ncall;
+    double flops=single_site_flops*volume*ncall;
 
     std::cout<<GridLogMessage << "Called Dw "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
     //    std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
@@ -226,7 +229,7 @@ int main (int argc, char ** argv)
     FGrid->Barrier();
     
     double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-    double flops=1344*volume*ncall;
+    double flops=single_site_flops*volume*ncall;
 
     std::cout<<GridLogMessage << "Called half prec comms Dw "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
     std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;
@@ -277,7 +280,7 @@ int main (int argc, char ** argv)
     double t1=usecond();
     FGrid->Barrier();
     double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-    double flops=1344*volume*ncall;
+    double flops=single_site_flops*volume*ncall;
 
     std::cout<<GridLogMessage << "Called Dw s_inner "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
     std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;
@@ -355,7 +358,7 @@ int main (int argc, char ** argv)
       //      sDw.stat.print();
 
       double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-      double flops=(1344.0*volume*ncall)/2;
+      double flops=(single_site_flops*volume*ncall)/2.0;
 
       std::cout<<GridLogMessage << "sDeo mflop/s =   "<< flops/(t1-t0)<<std::endl;
       std::cout<<GridLogMessage << "sDeo mflop/s per rank   "<< flops/(t1-t0)/NP<<std::endl;
@@ -478,7 +481,7 @@ int main (int argc, char ** argv)
     FGrid->Barrier();
     
     double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-    double flops=(1344.0*volume*ncall)/2;
+    double flops=(single_site_flops*volume*ncall)/2.0;
 
     std::cout<<GridLogMessage << "Deo mflop/s =   "<< flops/(t1-t0)<<std::endl;
     std::cout<<GridLogMessage << "Deo mflop/s per rank   "<< flops/(t1-t0)/NP<<std::endl;

benchmarks/Benchmark_dwf_sweep.cc

@@ -51,6 +51,7 @@ int main (int argc, char ** argv)
 {
   Grid_init(&argc,&argv);
 
+
   std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
   std::cout << GridLogMessage<< "* Kernel options --dslash-generic, --dslash-unroll, --dslash-asm" <<std::endl;
   std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
@@ -107,6 +108,7 @@ void benchDw(std::vector<int> & latt4, int Ls, int threads,int report )
   GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
   GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
   GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
+  long unsigned int single_site_flops = 8*QCD::Nc*(7+16*QCD::Nc);
 
   std::vector<int> seeds4({1,2,3,4});
   std::vector<int> seeds5({5,6,7,8});
@@ -196,7 +198,7 @@ void benchDw(std::vector<int> & latt4, int Ls, int threads,int report )
   
   if ( ! report ) {
     double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-    double flops=1344*volume*ncall;
+    double flops=single_site_flops*volume*ncall;
     std::cout <<"\t"<<NP<< "\t"<<flops/(t1-t0)<< "\t";
   }
   
@@ -228,7 +230,7 @@ void benchDw(std::vector<int> & latt4, int Ls, int threads,int report )
     
     if(!report){
       double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-      double flops=(1344.0*volume*ncall)/2;
+      double flops=(single_site_flops*volume*ncall)/2.0;
       std::cout<< flops/(t1-t0);
     }
   }
@@ -237,6 +239,7 @@ void benchDw(std::vector<int> & latt4, int Ls, int threads,int report )
 #define CHECK_SDW
 void benchsDw(std::vector<int> & latt4, int Ls, int threads, int report )
 {
+  long unsigned int single_site_flops = 8*QCD::Nc*(7+16*QCD::Nc);
 
   GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(latt4, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
   GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
@@ -321,7 +324,7 @@ void benchsDw(std::vector<int> & latt4, int Ls, int threads, int report )
     Counter.Report();
   } else { 
     double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-    double flops=1344*volume*ncall;
+    double flops=single_site_flops*volume*ncall;
     std::cout<<"\t"<< flops/(t1-t0);
   }
 
@@ -358,7 +361,7 @@ void benchsDw(std::vector<int> & latt4, int Ls, int threads, int report )
     CounterSdw.Report();
   } else {
     double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-    double flops=(1344.0*volume*ncall)/2;
+    double flops=(single_site_flops*volume*ncall)/2.0;
     std::cout<<"\t"<< flops/(t1-t0);
   }
 }

benchmarks/Benchmark_gparity.cc

@@ -107,7 +107,7 @@ int main (int argc, char ** argv)
     FGrid->Barrier();
     
     double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-    double flops=2*1344*volume*ncall;
+    double flops=2*1320*volume*ncall;
 
     std::cout<<GridLogMessage << "Called Dw "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
     //    std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
@@ -134,7 +134,7 @@ int main (int argc, char ** argv)
     FGrid->Barrier();
     
     double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-    double flops=2*1344*volume*ncall;
+    double flops=2*1320*volume*ncall;
 
     std::cout<<GridLogMessage << "Called half prec comms Dw "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
     std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;
@@ -174,7 +174,7 @@ int main (int argc, char ** argv)
     FGrid_d->Barrier();
     
     double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-    double flops=2*1344*volume*ncall;
+    double flops=2*1320*volume*ncall;
 
     std::cout<<GridLogMessage << "Called Dw "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
     //    std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;

benchmarks/Benchmark_memory_bandwidth.cc

@@ -55,7 +55,7 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s"<<"\t\t"<<"Gflop/s"<<"\t\t seconds"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
-  uint64_t lmax=96;
+  uint64_t lmax=64;
 #define NLOOP (10*lmax*lmax*lmax*lmax/vol)
   for(int lat=8;lat<=lmax;lat+=8){
 

benchmarks/Benchmark_su3.cc

@@ -35,9 +35,11 @@ using namespace Grid::QCD;
 int main (int argc, char ** argv)
 {
   Grid_init(&argc,&argv);
-#define LMAX (64)
+#define LMAX (32)
+#define LMIN (16)
+#define LINC (4)
 
-  int64_t Nloop=20;
+  int64_t Nloop=2000;
 
   std::vector<int> simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
   std::vector<int> mpi_layout  = GridDefaultMpi();
@@ -51,7 +53,7 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s\t\t GFlop/s"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
 
-  for(int lat=2;lat<=LMAX;lat+=2){
+  for(int lat=LMIN;lat<=LMAX;lat+=LINC){
 
       std::vector<int> 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];
@@ -83,7 +85,7 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s\t\t GFlop/s"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
 
-  for(int lat=2;lat<=LMAX;lat+=2){
+  for(int lat=LMIN;lat<=LMAX;lat+=LINC){
 
       std::vector<int> 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];
@@ -114,7 +116,7 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s\t\t GFlop/s"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
 
-  for(int lat=2;lat<=LMAX;lat+=2){
+  for(int lat=LMIN;lat<=LMAX;lat+=LINC){
 
       std::vector<int> 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];
@@ -145,7 +147,38 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s\t\t GFlop/s"<<std::endl;
   std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
 
-  for(int lat=2;lat<=LMAX;lat+=2){
+  for(int lat=LMIN;lat<=LMAX;lat+=LINC){
+    
+    std::vector<int> 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);
+    GridParallelRNG          pRNG(&Grid);      pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
+    
+    LatticeColourMatrix z(&Grid); random(pRNG,z);
+    LatticeColourMatrix x(&Grid); random(pRNG,x);
+    LatticeColourMatrix y(&Grid); random(pRNG,y);
+    
+    double start=usecond();
+    for(int64_t i=0;i<Nloop;i++){
+      mac(z,x,y);
+    }
+    double stop=usecond();
+    double time = (stop-start)/Nloop*1000.0;
+    
+    double bytes=3*vol*Nc*Nc*sizeof(Complex);
+    double flops=Nc*Nc*(6+8+8)*vol;
+    std::cout<<GridLogMessage<<std::setprecision(3) << lat<<"\t\t"<<bytes<<"   \t\t"<<bytes/time<<"\t\t" << flops/time<<std::endl;
+    
+  }
+
+  std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << "= Benchmarking SU3xSU3  CovShiftForward(z,x,y)"<<std::endl;
+  std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s\t\t GFlop/s"<<std::endl;
+  std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
+
+  for(int lat=LMIN;lat<=LMAX;lat+=LINC){
 
       std::vector<int> 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];
@@ -157,18 +190,64 @@ int main (int argc, char ** argv)
       LatticeColourMatrix x(&Grid); random(pRNG,x);
       LatticeColourMatrix y(&Grid); random(pRNG,y);
 
-      double start=usecond();
-      for(int64_t i=0;i<Nloop;i++){
-	mac(z,x,y);
+      for(int mu=0;mu<4;mu++){
+	      double start=usecond();
+	      for(int64_t i=0;i<Nloop;i++){
+	        z = PeriodicBC::CovShiftForward(x,mu,y);
+	    }
+	    double stop=usecond();
+	    double time = (stop-start)/Nloop*1000.0;
+	
+	
+	    double bytes=3*vol*Nc*Nc*sizeof(Complex);
+	    double flops=Nc*Nc*(6+8+8)*vol;
+	    std::cout<<GridLogMessage<<std::setprecision(3) << lat<<"\t\t"<<bytes<<"   \t\t"<<bytes/time<<"\t\t" << flops/time<<std::endl;
       }
-      double stop=usecond();
-      double time = (stop-start)/Nloop*1000.0;
-      
-      double bytes=3*vol*Nc*Nc*sizeof(Complex);
-      double flops=Nc*Nc*(8+8+8)*vol;
-      std::cout<<GridLogMessage<<std::setprecision(3) << lat<<"\t\t"<<bytes<<"   \t\t"<<bytes/time<<"\t\t" << flops/time<<std::endl;
+  }
+#if 1
+  std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << "= Benchmarking SU3xSU3  z= x * Cshift(y)"<<std::endl;
+  std::cout<<GridLogMessage << "===================================================================================================="<<std::endl;
+  std::cout<<GridLogMessage << "  L  "<<"\t\t"<<"bytes"<<"\t\t\t"<<"GB/s\t\t GFlop/s"<<std::endl;
+  std::cout<<GridLogMessage << "----------------------------------------------------------"<<std::endl;
 
+  for(int lat=LMIN;lat<=LMAX;lat+=LINC){
+      std::vector<int> 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);
+      GridParallelRNG          pRNG(&Grid);      pRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
+
+      LatticeColourMatrix z(&Grid); random(pRNG,z);
+      LatticeColourMatrix x(&Grid); random(pRNG,x);
+      LatticeColourMatrix y(&Grid); random(pRNG,y);
+      LatticeColourMatrix tmp(&Grid);
+
+      for(int mu=0;mu<4;mu++){
+	double tshift=0;
+	double tmult =0;
+
+	double start=usecond();
+	for(int64_t i=0;i<Nloop;i++){
+	  tshift-=usecond();
+	  tmp = Cshift(y,mu,-1);
+	  tshift+=usecond();
+	  tmult-=usecond();
+	  z   = x*tmp;
+	  tmult+=usecond();
+	}
+	double stop=usecond();
+	double time = (stop-start)/Nloop;
+	tshift = tshift/Nloop;
+	tmult  = tmult /Nloop;
+	
+	double bytes=3*vol*Nc*Nc*sizeof(Complex);
+	double flops=Nc*Nc*(6+8+8)*vol;
+	std::cout<<GridLogMessage<<std::setprecision(3) << "total us "<<time<<" shift "<<tshift <<" mult "<<tmult<<std::endl;
+	time = time * 1000; // convert to NS for GB/s
+	std::cout<<GridLogMessage<<std::setprecision(3) << lat<<"\t\t"<<bytes<<"   \t\t"<<bytes/time<<"\t\t" << flops/time<<std::endl;
+      }
     }
-
+#endif
   Grid_finalize();
 }

benchmarks/Benchmark_wilson.cc

@@ -4,7 +4,7 @@
 
     Source file: ./benchmarks/Benchmark_wilson.cc
 
-    Copyright (C) 2015
+    Copyright (C) 2018
 
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 Author: paboyle <paboyle@ph.ed.ac.uk>
@@ -32,6 +32,9 @@ using namespace std;
 using namespace Grid;
 using namespace Grid::QCD;
 
+
+#include "Grid/util/Profiling.h"
+
 template<class d>
 struct scal {
   d internal;
@@ -45,6 +48,7 @@ struct scal {
   };
 
 bool overlapComms = false;
+bool perfProfiling = false;
 
 int main (int argc, char ** argv)
 {
@@ -53,6 +57,12 @@ int main (int argc, char ** argv)
   if( GridCmdOptionExists(argv,argv+argc,"--asynch") ){
     overlapComms = true;
   }
+  if( GridCmdOptionExists(argv,argv+argc,"--perf") ){
+    perfProfiling = true;
+  }
+
+  long unsigned int single_site_flops = 8*QCD::Nc*(7+16*QCD::Nc);
+
 
   std::vector<int> latt_size   = GridDefaultLatt();
   std::vector<int> simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
@@ -61,10 +71,15 @@ int main (int argc, char ** argv)
   GridRedBlackCartesian     RBGrid(&Grid);
 
   int threads = GridThread::GetThreads();
-  std::cout<<GridLogMessage << "Grid is setup to use "<<threads<<" threads"<<std::endl;
+
+  GridLogLayout();
+
   std::cout<<GridLogMessage << "Grid floating point word size is REALF"<< sizeof(RealF)<<std::endl;
   std::cout<<GridLogMessage << "Grid floating point word size is REALD"<< sizeof(RealD)<<std::endl;
   std::cout<<GridLogMessage << "Grid floating point word size is REAL"<< sizeof(Real)<<std::endl;
+  std::cout<<GridLogMessage << "Grid number of colours : "<< QCD::Nc <<std::endl;
+  std::cout<<GridLogMessage << "Benchmarking Wilson operator in the fundamental representation" << std::endl;
+
 
   std::vector<int> seeds({1,2,3,4});
   GridParallelRNG          pRNG(&Grid);
@@ -134,9 +149,25 @@ int main (int argc, char ** argv)
     Dw.Dhop(src,result,0);
   }
   double t1=usecond();
-  double flops=1344*volume*ncall;
+  double flops=single_site_flops*volume*ncall;
   
+  if (perfProfiling){
+  std::cout<<GridLogMessage << "Profiling Dw with perf"<<std::endl;
+    
+  System::profile("kernel", [&]() {
+    for(int i=0;i<ncall;i++){
+      Dw.Dhop(src,result,0);
+    }
+  });
+
+  std::cout<<GridLogMessage << "Generated kernel.data"<<std::endl;
+  std::cout<<GridLogMessage << "Use with: perf report -i kernel.data"<<std::endl;
+
+  }
+
+
   std::cout<<GridLogMessage << "Called Dw"<<std::endl;
+  std::cout<<GridLogMessage << "flops per site " << single_site_flops << std::endl;
   std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
   std::cout<<GridLogMessage << "norm ref    "<< norm2(ref)<<std::endl;
   std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;

benchmarks/Benchmark_wilson_sweep.cc

@@ -62,6 +62,7 @@ int main (int argc, char ** argv)
   std::cout << GridLogMessage<< "* Kernel options --dslash-generic, --dslash-unroll, --dslash-asm" <<std::endl;
   std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
   std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
+  std::cout << GridLogMessage<< "* Number of colours "<< QCD::Nc <<std::endl;
   std::cout << GridLogMessage<< "* Benchmarking WilsonFermionR::Dhop                  "<<std::endl;
   std::cout << GridLogMessage<< "* Vectorising space-time by "<<vComplex::Nsimd()<<std::endl;
   if ( sizeof(Real)==4 )   std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
@@ -69,13 +70,15 @@ int main (int argc, char ** argv)
   if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using GENERIC Nc WilsonKernels" <<std::endl;
   if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptHandUnroll) std::cout << GridLogMessage<< "* Using Nc=3       WilsonKernels" <<std::endl;
   if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
+  std::cout << GridLogMessage << "* OpenMP threads       : "<< GridThread::GetThreads() <<std::endl;
+  std::cout << GridLogMessage << "* MPI tasks            : "<< GridCmdVectorIntToString(mpi_layout) << std::endl;
   std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
 
-  std::cout<<GridLogMessage << "============================================================================="<< std::endl;
-  std::cout<<GridLogMessage << "= Benchmarking Wilson" << std::endl;
-  std::cout<<GridLogMessage << "============================================================================="<< std::endl;
-  std::cout<<GridLogMessage << "Volume\t\t\tWilson/MFLOPs\tWilsonDag/MFLOPs" << std::endl;
-  std::cout<<GridLogMessage << "============================================================================="<< std::endl;
+  std::cout<<GridLogMessage << "================================================================================================="<< std::endl;
+  std::cout<<GridLogMessage << "= Benchmarking Wilson operator in the fundamental representation" << std::endl;
+  std::cout<<GridLogMessage << "================================================================================================="<< std::endl;
+  std::cout<<GridLogMessage << "Volume\t\t\tWilson/MFLOPs\tWilsonDag/MFLOPs\tWilsonEO/MFLOPs\tWilsonDagEO/MFLOPs" << std::endl;
+  std::cout<<GridLogMessage << "================================================================================================="<< std::endl;
 
   int Lmax = 32;
   int dmin = 0;
@@ -97,13 +100,20 @@ int main (int argc, char ** argv)
 
 	  GridParallelRNG  pRNG(&Grid); pRNG.SeedFixedIntegers(seeds);
 	  LatticeGaugeField Umu(&Grid); random(pRNG,Umu);
-	  LatticeFermion    src(&Grid); random(pRNG,src);
-	  LatticeFermion result(&Grid); result=zero;
+	  LatticeFermion        src(&Grid); random(pRNG,src);
+	  LatticeFermion    src_o(&RBGrid); pickCheckerboard(Odd,src_o,src);
+	  LatticeFermion     result(&Grid); result=zero;
+	  LatticeFermion result_e(&RBGrid); result_e=zero;
 
 	  double volume = std::accumulate(latt_size.begin(),latt_size.end(),1,std::multiplies<int>());
 
 	  WilsonFermionR Dw(Umu,Grid,RBGrid,mass,params);
-      
+
+    // Full operator      
+	  bench_wilson(src,result,Dw,volume,DaggerNo);
+	  bench_wilson(src,result,Dw,volume,DaggerYes);
+    std::cout << "\t";
+    // EO
 	  bench_wilson(src,result,Dw,volume,DaggerNo);
 	  bench_wilson(src,result,Dw,volume,DaggerYes);
 	  std::cout << std::endl;
@@ -122,9 +132,26 @@ void bench_wilson (
 		   int const           dag )
 {
   int ncall    = 1000;
+  long unsigned int single_site_flops = 8*QCD::Nc*(7+16*QCD::Nc);
   double t0    = usecond();
   for(int i=0; i<ncall; i++) { Dw.Dhop(src,result,dag); }
   double t1    = usecond();
-  double flops = 1344 * volume * ncall;
+  double flops = single_site_flops * volume * ncall;
+  std::cout << flops/(t1-t0) << "\t\t";
+}
+
+void bench_wilson_eo (
+		   LatticeFermion &    src,
+		   LatticeFermion & result,
+		   WilsonFermionR &     Dw,
+		   double const     volume,
+		   int const           dag )
+{
+  int ncall    = 1000;
+  long unsigned int single_site_flops = 8*QCD::Nc*(7+16*QCD::Nc);
+  double t0    = usecond();
+  for(int i=0; i<ncall; i++) { Dw.DhopEO(src,result,dag); }
+  double t1    = usecond();
+  double flops = (single_site_flops * volume * ncall)/2.0;
   std::cout << flops/(t1-t0) << "\t\t";
 }

bootstrap.sh

@@ -1,9 +1,16 @@
 #!/usr/bin/env bash
 
-EIGEN_URL='http://bitbucket.org/eigen/eigen/get/3.3.3.tar.bz2'
+EIGEN_SRC='3.3.3.tar.bz2'
+EIGEN_URL="http://bitbucket.org/eigen/eigen/get/${EIGEN_SRC}"
 
-echo "-- deploying Eigen source..."
-wget ${EIGEN_URL} --no-check-certificate && ./scripts/update_eigen.sh `basename ${EIGEN_URL}` && rm `basename ${EIGEN_URL}`
+if [ -f ${EIGEN_SRC} ]; then
+  echo "-- skip deploying Eigen source..."
+else
+  echo "-- deploying Eigen source..."
+  wget ${EIGEN_URL} --no-check-certificate
+  ./scripts/update_eigen.sh `basename ${EIGEN_URL}`
+  #rm `basename ${EIGEN_URL}`
+fi
 
 echo '-- generating Make.inc files...'
 ./scripts/filelist

configure.ac

@@ -249,6 +249,9 @@ case ${ax_cv_cxx_compiler_vendor} in
       AVX512)
         AC_DEFINE([AVX512],[1],[AVX512 intrinsics])
         SIMD_FLAGS='-mavx512f -mavx512pf -mavx512er -mavx512cd';;
+      SKL)
+        AC_DEFINE([AVX512],[1],[AVX512 intrinsics for SkyLake Xeon])
+        SIMD_FLAGS='-march=skylake-avx512';;
       KNC)
         AC_DEFINE([IMCI],[1],[IMCI intrinsics for Knights Corner])
         SIMD_FLAGS='';;
@@ -337,7 +340,7 @@ case ${ac_PRECISION} in
 esac
 
 ######################  Shared memory allocation technique under MPI3
-AC_ARG_ENABLE([shm],[AC_HELP_STRING([--enable-shm=shmopen|hugetlbfs],
+AC_ARG_ENABLE([shm],[AC_HELP_STRING([--enable-shm=shmopen|shmget|hugetlbfs|shmnone],
               [Select SHM allocation technique])],[ac_SHM=${enable_shm}],[ac_SHM=shmopen])
 
 case ${ac_SHM} in
@@ -346,6 +349,14 @@ case ${ac_SHM} in
      AC_DEFINE([GRID_MPI3_SHMOPEN],[1],[GRID_MPI3_SHMOPEN] )
      ;;
 
+     shmget)
+     AC_DEFINE([GRID_MPI3_SHMGET],[1],[GRID_MPI3_SHMGET] )
+     ;;
+
+     shmnone)
+     AC_DEFINE([GRID_MPI3_SHM_NONE],[1],[GRID_MPI3_SHM_NONE] )
+     ;;
+
      hugetlbfs)
      AC_DEFINE([GRID_MPI3_SHMMMAP],[1],[GRID_MPI3_SHMMMAP] )
      ;;
@@ -359,7 +370,7 @@ esac
 AC_ARG_ENABLE([shmpath],[AC_HELP_STRING([--enable-shmpath=path],
               [Select SHM mmap base path for hugetlbfs])],
 	      [ac_SHMPATH=${enable_shmpath}],
-	      [ac_SHMPATH=/var/lib/hugetlbfs/pagesize-2MB/])
+	      [ac_SHMPATH=/var/lib/hugetlbfs/global/pagesize-2MB/])
 AC_DEFINE_UNQUOTED([GRID_SHM_PATH],["$ac_SHMPATH"],[Path to a hugetlbfs filesystem for MMAPing])
 
 ############### communication type selection

extras/Hadrons/Application.cc

@@ -43,12 +43,6 @@ using namespace Hadrons;
 Application::Application(void)
 {
     initLogger();
-    LOG(Message) << "Modules available:" << std::endl;
-    auto list = ModuleFactory::getInstance().getBuilderList();
-    for (auto &m: list)
-    {
-        LOG(Message) << "  " << m << std::endl;
-    }
     auto dim = GridDefaultLatt(), mpi = GridDefaultMpi(), loc(dim);
     locVol_ = 1;
     for (unsigned int d = 0; d < dim.size(); ++d)

extras/Hadrons/Modules.hpp

@@ -57,6 +57,7 @@ See the full license in the file "LICENSE" in the top level distribution directo
 #include <Grid/Hadrons/Modules/MAction/DWF.hpp>
 #include <Grid/Hadrons/Modules/MAction/Wilson.hpp>
 #include <Grid/Hadrons/Modules/MAction/WilsonClover.hpp>
+#include <Grid/Hadrons/Modules/MScalarSUN/Div.hpp>
 #include <Grid/Hadrons/Modules/MScalarSUN/TrMag.hpp>
 #include <Grid/Hadrons/Modules/MScalarSUN/TwoPoint.hpp>
 #include <Grid/Hadrons/Modules/MScalarSUN/TrPhi.hpp>

extras/Hadrons/Modules/MContraction/Meson.hpp

@@ -171,7 +171,7 @@ void TMeson<FImpl1, FImpl2>::execute(void)
     LOG(Message) << "Computing meson contractions '" << getName() << "' using"
                  << " quarks '" << par().q1 << "' and '" << par().q2 << "'"
                  << std::endl;
-
+    
     ResultWriter           writer(RESULT_FILE_NAME(par().output));
     std::vector<TComplex>  buf;
     std::vector<Result>    result;

extras/Hadrons/Modules/MGauge/FundtoHirep.cc

@@ -57,7 +57,7 @@ std::vector<std::string> TFundtoHirep<Rep>::getOutput(void)
 template <typename Rep>
 void TFundtoHirep<Rep>::setup(void)
 {
-    env().template registerLattice<typename Rep::LatticeField>(getName());
+    envCreateLat(typename Rep::LatticeField, getName());
 }
 
 // execution ///////////////////////////////////////////////////////////////////
@@ -70,6 +70,6 @@ void TFundtoHirep<Rep>::execute(void)
     Rep TargetRepresentation(U._grid);
     TargetRepresentation.update_representation(U);
 
-   typename Rep::LatticeField &URep = *env().template createLattice<typename Rep::LatticeField>(getName());
+    auto &URep = envGet(typename Rep::LatticeField, getName());
     URep = TargetRepresentation.U;
 }

extras/Hadrons/Modules/MScalarSUN/Div.hpp

@@ -0,0 +1,166 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: extras/Hadrons/Modules/MScalarSUN/Div.hpp
+
+Copyright (C) 2015-2018
+
+Author: Antonin Portelli <antonin.portelli@me.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
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef Hadrons_MScalarSUN_Div_hpp_
+#define Hadrons_MScalarSUN_Div_hpp_
+
+#include <Grid/Hadrons/Global.hpp>
+#include <Grid/Hadrons/Module.hpp>
+#include <Grid/Hadrons/ModuleFactory.hpp>
+
+BEGIN_HADRONS_NAMESPACE
+
+/******************************************************************************
+ *                         Div                                 *
+ ******************************************************************************/
+BEGIN_MODULE_NAMESPACE(MScalarSUN)
+
+class DivPar: Serializable
+{
+public:
+    GRID_SERIALIZABLE_ENUM(DiffType, undef, forward, 1, backward, 2, central, 3);
+    GRID_SERIALIZABLE_CLASS_MEMBERS(DivPar,
+                                    std::vector<std::string>, op,
+                                    DiffType,                 type,
+                                    std::string,              output);
+};
+
+template <typename SImpl>
+class TDiv: public Module<DivPar>
+{
+public:
+    typedef typename SImpl::Field        Field;
+    typedef typename SImpl::ComplexField ComplexField;
+    class Result: Serializable
+    {
+    public:
+        GRID_SERIALIZABLE_CLASS_MEMBERS(Result,
+                                        DivPar::DiffType, type,
+                                        Complex,          value);
+    };
+public:
+    // constructor
+    TDiv(const std::string name);
+    // destructor
+    virtual ~TDiv(void) = default;
+    // dependency relation
+    virtual std::vector<std::string> getInput(void);
+    virtual std::vector<std::string> getOutput(void);
+    // setup
+    virtual void setup(void);
+    // execution
+    virtual void execute(void);
+};
+
+MODULE_REGISTER_NS(DivSU2, TDiv<ScalarNxNAdjImplR<2>>, MScalarSUN);
+MODULE_REGISTER_NS(DivSU3, TDiv<ScalarNxNAdjImplR<3>>, MScalarSUN);
+MODULE_REGISTER_NS(DivSU4, TDiv<ScalarNxNAdjImplR<4>>, MScalarSUN);
+MODULE_REGISTER_NS(DivSU5, TDiv<ScalarNxNAdjImplR<5>>, MScalarSUN);
+MODULE_REGISTER_NS(DivSU6, TDiv<ScalarNxNAdjImplR<6>>, MScalarSUN);
+
+/******************************************************************************
+ *                 TDiv implementation                             *
+ ******************************************************************************/
+// constructor /////////////////////////////////////////////////////////////////
+template <typename SImpl>
+TDiv<SImpl>::TDiv(const std::string name)
+: Module<DivPar>(name)
+{}
+
+// dependencies/products ///////////////////////////////////////////////////////
+template <typename SImpl>
+std::vector<std::string> TDiv<SImpl>::getInput(void)
+{
+    return par().op;
+}
+
+template <typename SImpl>
+std::vector<std::string> TDiv<SImpl>::getOutput(void)
+{
+    std::vector<std::string> out = {getName()};
+
+    return out;
+}
+
+// setup ///////////////////////////////////////////////////////////////////////
+template <typename SImpl>
+void TDiv<SImpl>::setup(void)
+{
+    if (par().op.size() != env().getNd())
+    {
+        HADRON_ERROR(Size, "the number of components differs from number of dimensions");
+    }
+    envCreateLat(ComplexField, getName());
+}
+
+// execution ///////////////////////////////////////////////////////////////////
+template <typename SImpl>
+void TDiv<SImpl>::execute(void)
+{
+    const auto nd = env().getNd();
+
+    LOG(Message) << "Computing the " << par().type << " divergence of [";
+    for (unsigned int mu = 0; mu < nd; ++mu)
+    {
+        std::cout << par().op[mu] << ((mu == nd - 1) ? "]" : ", ");
+    }
+    std::cout << std::endl;
+
+    auto &div = envGet(ComplexField, getName());
+    div = zero;
+    for (unsigned int mu = 0; mu < nd; ++mu)
+    {
+        auto &op = envGet(ComplexField, par().op[mu]);
+        switch(par().type)
+        {
+            case DivPar::DiffType::backward:
+                div += op - Cshift(op, mu, -1);
+                break;
+            case DivPar::DiffType::forward:
+                div += Cshift(op, mu, 1) - op;
+                break;
+            case DivPar::DiffType::central:
+                div += 0.5*(Cshift(op, mu, 1) - Cshift(op, mu, -1));
+                break;
+        }
+    }
+    if (!par().output.empty())
+    {
+        Result       r;
+        ResultWriter writer(RESULT_FILE_NAME(par().output));
+
+        r.type  = par().type;
+        r.value = TensorRemove(sum(div));
+        write(writer, "div", r);
+    }
+}
+
+END_MODULE_NAMESPACE
+
+END_HADRONS_NAMESPACE
+
+#endif // Hadrons_MScalarSUN_Div_hpp_

extras/Hadrons/modules.inc

@@ -44,6 +44,7 @@ modules_hpp =\
   Modules/MAction/DWF.hpp \
   Modules/MAction/Wilson.hpp \
   Modules/MAction/WilsonClover.hpp \
+  Modules/MScalarSUN/Div.hpp \
   Modules/MScalarSUN/TrMag.hpp \
   Modules/MScalarSUN/TwoPoint.hpp \
   Modules/MScalarSUN/TrPhi.hpp \

lib/algorithms/Algorithms.h

@@ -39,6 +39,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/algorithms/approx/MultiShiftFunction.h>
 #include <Grid/algorithms/approx/Forecast.h>
 
+#include <Grid/algorithms/iterative/Deflation.h>
 #include <Grid/algorithms/iterative/ConjugateGradient.h>
 #include <Grid/algorithms/iterative/ConjugateResidual.h>
 #include <Grid/algorithms/iterative/NormalEquations.h>
@@ -48,6 +49,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/algorithms/iterative/BlockConjugateGradient.h>
 #include <Grid/algorithms/iterative/ConjugateGradientReliableUpdate.h>
 #include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
+#include <Grid/algorithms/iterative/ImplicitlyRestartedLanczosCJ.h>
+#include <Grid/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h>
 #include <Grid/algorithms/CoarsenedMatrix.h>
 #include <Grid/algorithms/FFT.h>
 

lib/algorithms/LinearOperator.h

@@ -51,7 +51,7 @@ namespace Grid {
 
       virtual void Op     (const Field &in, Field &out) = 0; // Abstract base
       virtual void AdjOp  (const Field &in, Field &out) = 0; // Abstract base
-      virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2)=0;
+      virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2) = 0;
       virtual void HermOp(const Field &in, Field &out)=0;
     };
 
@@ -309,36 +309,59 @@ namespace Grid {
       class SchurStaggeredOperator :  public SchurOperatorBase<Field> {
     protected:
       Matrix &_Mat;
+      Field tmp;
+      RealD mass;
+      double tMpc;
+      double tIP;
+      double tMeo;
+      double taxpby_norm;
+      uint64_t ncall;
     public:
-      SchurStaggeredOperator (Matrix &Mat): _Mat(Mat){};
+      void Report(void)
+      {
+	std::cout << GridLogMessage << " HermOpAndNorm.Mpc "<< tMpc/ncall<<" usec "<<std::endl;
+	std::cout << GridLogMessage << " HermOpAndNorm.IP  "<< tIP /ncall<<" usec "<<std::endl;
+	std::cout << GridLogMessage << " Mpc.MeoMoe        "<< tMeo/ncall<<" usec "<<std::endl;
+	std::cout << GridLogMessage << " Mpc.axpby_norm    "<< taxpby_norm/ncall<<" usec "<<std::endl;
+      }
+      SchurStaggeredOperator (Matrix &Mat): _Mat(Mat), tmp(_Mat.RedBlackGrid()) 
+      { 
+	assert( _Mat.isTrivialEE() );
+	mass = _Mat.Mass();
+	tMpc=0;
+	tIP =0;
+        tMeo=0;
+        taxpby_norm=0;
+	ncall=0;
+      }
       virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-	GridLogIterative.TimingMode(1);
-	std::cout << GridLogIterative << " HermOpAndNorm "<<std::endl;
+	ncall++;
+	tMpc-=usecond();
 	n2 = Mpc(in,out);
-	std::cout << GridLogIterative << " HermOpAndNorm.Mpc "<<std::endl;
+	tMpc+=usecond();
+	tIP-=usecond();
 	ComplexD dot= innerProduct(in,out);
-	std::cout << GridLogIterative << " HermOpAndNorm.innerProduct "<<std::endl;
+	tIP+=usecond();
 	n1 = real(dot);
       }
       virtual void HermOp(const Field &in, Field &out){
-	std::cout << GridLogIterative << " HermOp "<<std::endl;
-	Mpc(in,out);
+	ncall++;
+	tMpc-=usecond();
+	_Mat.Meooe(in,out);
+	_Mat.Meooe(out,tmp);
+	tMpc+=usecond();
+	taxpby_norm-=usecond();
+	axpby(out,-1.0,mass*mass,tmp,in);
+	taxpby_norm+=usecond();
       }
       virtual  RealD Mpc      (const Field &in, Field &out) {
-	Field tmp(in._grid);
-	Field tmp2(in._grid);
-
-	std::cout << GridLogIterative << " HermOp.Mpc "<<std::endl;
-	_Mat.Mooee(in,out);
-	_Mat.Mooee(out,tmp);
-	std::cout << GridLogIterative << " HermOp.MooeeMooee "<<std::endl;
-
+	tMeo-=usecond();
 	_Mat.Meooe(in,out);
-	_Mat.Meooe(out,tmp2);
-	std::cout << GridLogIterative << " HermOp.MeooeMeooe "<<std::endl;
-
-	RealD nn=axpy_norm(out,-1.0,tmp2,tmp);
-	std::cout << GridLogIterative << " HermOp.axpy_norm "<<std::endl;
+	_Mat.Meooe(out,tmp);
+	tMeo+=usecond();
+	taxpby_norm-=usecond();
+	RealD nn=axpby_norm(out,-1.0,mass*mass,tmp,in);
+	taxpby_norm+=usecond();
 	return nn;
       }
       virtual  RealD MpcDag   (const Field &in, Field &out){
@@ -350,6 +373,75 @@ namespace Grid {
     };
     template<class Matrix,class Field> using SchurStagOperator = SchurStaggeredOperator<Matrix,Field>;
 
+#if 0
+  // This is specific to (Z)mobius fermions
+  template<class Matrix, class Field>
+    class KappaSimilarityTransform {
+  public:
+//    INHERIT_IMPL_TYPES(Matrix);
+    typedef typename Matrix::Coeff_t                     Coeff_t;
+    std::vector<Coeff_t> kappa, kappaDag, kappaInv, kappaInvDag;
+
+    KappaSimilarityTransform (Matrix &zmob) {
+      for (int i=0;i<(int)zmob.bs.size();i++) {
+	Coeff_t k = 1.0 / ( 2.0 * (zmob.bs[i] *(4 - zmob.M5) + 1.0) );
+	kappa.push_back( k );
+	kappaDag.push_back( conj(k) );
+	kappaInv.push_back( 1.0 / k );
+	kappaInvDag.push_back( 1.0 / conj(k) );
+      }
+    }
+
+  template<typename vobj>
+    void sscale(const Lattice<vobj>& in, Lattice<vobj>& out, Coeff_t* s) {
+    GridBase *grid=out._grid;
+    out.checkerboard = in.checkerboard;
+    assert(grid->_simd_layout[0] == 1); // should be fine for ZMobius for now
+    int Ls = grid->_rdimensions[0];
+    parallel_for(int ss=0;ss<grid->oSites();ss++){
+      vobj tmp = s[ss % Ls]*in._odata[ss];
+      vstream(out._odata[ss],tmp);
+    }
+  }
+
+  RealD sscale_norm(const Field& in, Field& out, Coeff_t* s) {
+    sscale(in,out,s);
+    return norm2(out);
+  }
+
+  virtual RealD M       (const Field& in, Field& out) { return sscale_norm(in,out,&kappa[0]);   }
+  virtual RealD MDag    (const Field& in, Field& out) { return sscale_norm(in,out,&kappaDag[0]);}
+  virtual RealD MInv    (const Field& in, Field& out) { return sscale_norm(in,out,&kappaInv[0]);}
+  virtual RealD MInvDag (const Field& in, Field& out) { return sscale_norm(in,out,&kappaInvDag[0]);}
+
+  };
+
+  template<class Matrix,class Field>
+    class SchurDiagTwoKappaOperator :  public SchurOperatorBase<Field> {
+  public:
+    KappaSimilarityTransform<Matrix, Field> _S;
+    SchurDiagTwoOperator<Matrix, Field> _Mat;
+
+    SchurDiagTwoKappaOperator (Matrix &Mat): _S(Mat), _Mat(Mat) {};
+
+    virtual  RealD Mpc      (const Field &in, Field &out) {
+      Field tmp(in._grid);
+
+      _S.MInv(in,out);
+      _Mat.Mpc(out,tmp);
+      return _S.M(tmp,out);
+
+    }
+    virtual  RealD MpcDag   (const Field &in, Field &out){
+      Field tmp(in._grid);
+
+      _S.MDag(in,out);
+      _Mat.MpcDag(out,tmp);
+      return _S.MInvDag(tmp,out);
+    }
+  };
+#endif
+
 
     /////////////////////////////////////////////////////////////
     // Base classes for functions of operators

lib/algorithms/approx/Chebyshev.h

@@ -54,10 +54,16 @@ struct ChebyParams : Serializable {
 
   public:
     void csv(std::ostream &out){
-      RealD diff = hi-lo;
+
+#if 0
       RealD delta = (hi-lo)*1.0e-9;
       for (RealD x=lo; x<hi; x+=delta) {
 	delta*=1.1;
+#else
+	RealD diff = hi-lo;
+      //for (RealD x=lo-0.2*diff; x<hi+0.2*diff; x+=(hi-lo)/1000) {
+      for (RealD x=lo-0.2*diff; x<hi+0.2*diff; x+=diff/1000.0) { // ypj [note] divide by float
+#endif
 	RealD f = approx(x);
 	out<< x<<" "<<f<<std::endl;
       }
@@ -89,7 +95,7 @@ struct ChebyParams : Serializable {
       
       if(order < 2) exit(-1);
       Coeffs.resize(order);
-      Coeffs.assign(0.,order);
+      Coeffs.assign(order,0.);  
       Coeffs[order-1] = 1.;
     };
 

lib/algorithms/densematrix/DenseMatrix.h

@@ -0,0 +1,137 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/DenseMatrix.h
+
+    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 */
+#ifndef GRID_DENSE_MATRIX_H
+#define GRID_DENSE_MATRIX_H
+
+namespace Grid {
+    /////////////////////////////////////////////////////////////
+    // Matrix untils
+    /////////////////////////////////////////////////////////////
+
+template<class T> using DenseVector = std::vector<T>;
+template<class T> using DenseMatrix = DenseVector<DenseVector<T> >;
+
+template<class T> void Size(DenseVector<T> & vec, int &N) 
+{ 
+  N= vec.size();
+}
+template<class T> void Size(DenseMatrix<T> & mat, int &N,int &M) 
+{ 
+  N= mat.size();
+  M= mat[0].size();
+}
+
+template<class T> void SizeSquare(DenseMatrix<T> & mat, int &N) 
+{ 
+  int M; Size(mat,N,M);
+  assert(N==M);
+}
+
+template<class T> void Resize(DenseVector<T > & mat, int N) { 
+  mat.resize(N);
+}
+template<class T> void Resize(DenseMatrix<T > & mat, int N, int M) { 
+  mat.resize(N);
+  for(int i=0;i<N;i++){
+    mat[i].resize(M);
+  }
+}
+template<class T> void Fill(DenseMatrix<T> & mat, T&val) { 
+  int N,M;
+  Size(mat,N,M);
+  for(int i=0;i<N;i++){
+  for(int j=0;j<M;j++){
+    mat[i][j] = val;
+  }}
+}
+
+/** Transpose of a matrix **/
+template<class T> DenseMatrix<T> Transpose(DenseMatrix<T> & mat){
+  int N,M;
+  Size(mat,N,M);
+  DenseMatrix<T> C; Resize(C,M,N);
+  for(int i=0;i<M;i++){
+  for(int j=0;j<N;j++){
+    C[i][j] = mat[j][i];
+  }} 
+  return C;
+}
+/** Set DenseMatrix to unit matrix **/
+template<class T> void Unity(DenseMatrix<T> &A){
+  int N;  SizeSquare(A,N);
+  for(int i=0;i<N;i++){
+    for(int j=0;j<N;j++){
+      if ( i==j ) A[i][j] = 1;
+      else        A[i][j] = 0;
+    } 
+  } 
+}
+
+/** Add C * I to matrix **/
+template<class T>
+void PlusUnit(DenseMatrix<T> & A,T c){
+  int dim;  SizeSquare(A,dim);
+  for(int i=0;i<dim;i++){A[i][i] = A[i][i] + c;} 
+}
+
+/** return the Hermitian conjugate of matrix **/
+template<class T>
+DenseMatrix<T> HermitianConj(DenseMatrix<T> &mat){
+
+  int dim; SizeSquare(mat,dim);
+
+  DenseMatrix<T> C; Resize(C,dim,dim);
+
+  for(int i=0;i<dim;i++){
+    for(int j=0;j<dim;j++){
+      C[i][j] = conj(mat[j][i]);
+    } 
+  } 
+  return C;
+}
+/**Get a square submatrix**/
+template <class T>
+DenseMatrix<T> GetSubMtx(DenseMatrix<T> &A,int row_st, int row_end, int col_st, int col_end)
+{
+  DenseMatrix<T> H; Resize(H,row_end - row_st,col_end-col_st);
+
+  for(int i = row_st; i<row_end; i++){
+  for(int j = col_st; j<col_end; j++){
+    H[i-row_st][j-col_st]=A[i][j];
+  }}
+  return H;
+}
+
+}
+
+#include "Householder.h"
+#include "Francis.h"
+
+#endif
+

lib/algorithms/densematrix/Francis.h

@@ -0,0 +1,525 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/Francis.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef FRANCIS_H
+#define FRANCIS_H
+
+#include <cstdlib>
+#include <string>
+#include <cmath>
+#include <iostream>
+#include <sstream>
+#include <stdexcept>
+#include <fstream>
+#include <complex>
+#include <algorithm>
+
+//#include <timer.h>
+//#include <lapacke.h>
+//#include <Eigen/Dense>
+
+namespace Grid {
+
+template <class T> int SymmEigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small);
+template <class T> int     Eigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small);
+
+/**
+  Find the eigenvalues of an upper hessenberg matrix using the Francis QR algorithm.
+H =
+      x  x  x  x  x  x  x  x  x
+      x  x  x  x  x  x  x  x  x
+      0  x  x  x  x  x  x  x  x
+      0  0  x  x  x  x  x  x  x
+      0  0  0  x  x  x  x  x  x
+      0  0  0  0  x  x  x  x  x
+      0  0  0  0  0  x  x  x  x
+      0  0  0  0  0  0  x  x  x
+      0  0  0  0  0  0  0  x  x
+Factorization is P T P^H where T is upper triangular (mod cc blocks) and P is orthagonal/unitary.
+**/
+template <class T>
+int QReigensystem(DenseMatrix<T> &Hin, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small)
+{
+  DenseMatrix<T> H = Hin; 
+
+  int N ; SizeSquare(H,N);
+  int M = N;
+
+  Fill(evals,0);
+  Fill(evecs,0);
+
+  T s,t,x=0,y=0,z=0;
+  T u,d;
+  T apd,amd,bc;
+  DenseVector<T> p(N,0);
+  T nrm = Norm(H);    ///DenseMatrix Norm
+  int n, m;
+  int e = 0;
+  int it = 0;
+  int tot_it = 0;
+  int l = 0;
+  int r = 0;
+  DenseMatrix<T> P; Resize(P,N,N); Unity(P);
+  DenseVector<int> trows(N,0);
+
+  /// Check if the matrix is really hessenberg, if not abort
+  RealD sth = 0;
+  for(int j=0;j<N;j++){
+    for(int i=j+2;i<N;i++){
+      sth = abs(H[i][j]);
+      if(sth > small){
+	std::cout << "Non hessenberg H = " << sth << " > " << small << std::endl;
+	exit(1);
+      }
+    }
+  }
+
+  do{
+    std::cout << "Francis QR Step N = " << N << std::endl;
+    /** Check for convergence
+      x  x  x  x  x
+      0  x  x  x  x
+      0  0  x  x  x
+      0  0  x  x  x
+      0  0  0  0  x
+      for this matrix l = 4
+     **/
+    do{
+      l = Chop_subdiag(H,nrm,e,small);
+      r = 0;    ///May have converged on more than one eval
+      ///Single eval
+      if(l == N-1){
+        evals[e] = H[l][l];
+        N--; e++; r++; it = 0;
+      }
+      ///RealD eval
+      if(l == N-2){
+        trows[l+1] = 1;    ///Needed for UTSolve
+        apd = H[l][l] + H[l+1][l+1];
+        amd = H[l][l] - H[l+1][l+1];
+        bc =  (T)4.0*H[l+1][l]*H[l][l+1];
+        evals[e]   = (T)0.5*( apd + sqrt(amd*amd + bc) );
+        evals[e+1] = (T)0.5*( apd - sqrt(amd*amd + bc) );
+        N-=2; e+=2; r++; it = 0;
+      }
+    } while(r>0);
+
+    if(N ==0) break;
+
+    DenseVector<T > ck; Resize(ck,3);
+    DenseVector<T> v;   Resize(v,3);
+
+    for(int m = N-3; m >= l; m--){
+      ///Starting vector essentially random shift.
+      if(it%10 == 0 && N >= 3 && it > 0){
+        s = (T)1.618033989*( abs( H[N-1][N-2] ) + abs( H[N-2][N-3] ) );
+        t = (T)0.618033989*( abs( H[N-1][N-2] ) + abs( H[N-2][N-3] ) );
+        x = H[m][m]*H[m][m] + H[m][m+1]*H[m+1][m] - s*H[m][m] + t;
+        y = H[m+1][m]*(H[m][m] + H[m+1][m+1] - s);
+        z = H[m+1][m]*H[m+2][m+1];
+      }
+      ///Starting vector implicit Q theorem
+      else{
+        s = (H[N-2][N-2] + H[N-1][N-1]);
+        t = (H[N-2][N-2]*H[N-1][N-1] - H[N-2][N-1]*H[N-1][N-2]);
+        x = H[m][m]*H[m][m] + H[m][m+1]*H[m+1][m] - s*H[m][m] + t;
+        y = H[m+1][m]*(H[m][m] + H[m+1][m+1] - s);
+        z = H[m+1][m]*H[m+2][m+1];
+      }
+      ck[0] = x; ck[1] = y; ck[2] = z;
+
+      if(m == l) break;
+
+      /** Some stupid thing from numerical recipies, seems to work**/
+      // PAB.. for heaven's sake quote page, purpose, evidence it works.
+      //       what sort of comment is that!?!?!?
+      u=abs(H[m][m-1])*(abs(y)+abs(z));
+      d=abs(x)*(abs(H[m-1][m-1])+abs(H[m][m])+abs(H[m+1][m+1]));
+      if ((T)abs(u+d) == (T)abs(d) ){
+	l = m; break;
+      }
+
+      //if (u < small){l = m; break;}
+    }
+    if(it > 100000){
+     std::cout << "QReigensystem: bugger it got stuck after 100000 iterations" << std::endl;
+     std::cout << "got " << e << " evals " << l << " " << N << std::endl;
+      exit(1);
+    }
+    normalize(ck);    ///Normalization cancels in PHP anyway
+    T beta;
+    Householder_vector<T >(ck, 0, 2, v, beta);
+    Householder_mult<T >(H,v,beta,0,l,l+2,0);
+    Householder_mult<T >(H,v,beta,0,l,l+2,1);
+    ///Accumulate eigenvector
+    Householder_mult<T >(P,v,beta,0,l,l+2,1);
+    int sw = 0;      ///Are we on the last row?
+    for(int k=l;k<N-2;k++){
+      x = H[k+1][k];
+      y = H[k+2][k];
+      z = (T)0.0;
+      if(k+3 <= N-1){
+	z = H[k+3][k];
+      } else{
+	sw = 1; 
+	v[2] = (T)0.0;
+      }
+      ck[0] = x; ck[1] = y; ck[2] = z;
+      normalize(ck);
+      Householder_vector<T >(ck, 0, 2-sw, v, beta);
+      Householder_mult<T >(H,v, beta,0,k+1,k+3-sw,0);
+      Householder_mult<T >(H,v, beta,0,k+1,k+3-sw,1);
+      ///Accumulate eigenvector
+      Householder_mult<T >(P,v, beta,0,k+1,k+3-sw,1);
+    }
+    it++;
+    tot_it++;
+  }while(N > 1);
+  N = evals.size();
+  ///Annoying - UT solves in reverse order;
+  DenseVector<T> tmp; Resize(tmp,N);
+  for(int i=0;i<N;i++){
+    tmp[i] = evals[N-i-1];
+  } 
+  evals = tmp;
+  UTeigenvectors(H, trows, evals, evecs);
+  for(int i=0;i<evals.size();i++){evecs[i] = P*evecs[i]; normalize(evecs[i]);}
+  return tot_it;
+}
+
+template <class T>
+int my_Wilkinson(DenseMatrix<T> &Hin, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small)
+{
+  /**
+  Find the eigenvalues of an upper Hessenberg matrix using the Wilkinson QR algorithm.
+  H =
+  x  x  0  0  0  0
+  x  x  x  0  0  0
+  0  x  x  x  0  0
+  0  0  x  x  x  0
+  0  0  0  x  x  x
+  0  0  0  0  x  x
+  Factorization is P T P^H where T is upper triangular (mod cc blocks) and P is orthagonal/unitary.  **/
+  return my_Wilkinson(Hin, evals, evecs, small, small);
+}
+
+template <class T>
+int my_Wilkinson(DenseMatrix<T> &Hin, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small, RealD tol)
+{
+  int N; SizeSquare(Hin,N);
+  int M = N;
+
+  ///I don't want to modify the input but matricies must be passed by reference
+  //Scale a matrix by its "norm"
+  //RealD Hnorm = abs( Hin.LargestDiag() ); H =  H*(1.0/Hnorm);
+  DenseMatrix<T> H;  H = Hin;
+  
+  RealD Hnorm = abs(Norm(Hin));
+  H = H * (1.0 / Hnorm);
+
+  // TODO use openmp and memset
+  Fill(evals,0);
+  Fill(evecs,0);
+
+  T s, t, x = 0, y = 0, z = 0;
+  T u, d;
+  T apd, amd, bc;
+  DenseVector<T> p; Resize(p,N); Fill(p,0);
+
+  T nrm = Norm(H);    ///DenseMatrix Norm
+  int n, m;
+  int e = 0;
+  int it = 0;
+  int tot_it = 0;
+  int l = 0;
+  int r = 0;
+  DenseMatrix<T> P; Resize(P,N,N);
+  Unity(P);
+  DenseVector<int> trows(N, 0);
+  /// Check if the matrix is really symm tridiag
+  RealD sth = 0;
+  for(int j = 0; j < N; ++j)
+  {
+    for(int i = j + 2; i < N; ++i)
+    {
+      if(abs(H[i][j]) > tol || abs(H[j][i]) > tol)
+      {
+	std::cout << "Non Tridiagonal H(" << i << ","<< j << ") = |" << Real( real( H[j][i] ) ) << "| > " << tol << std::endl;
+	std::cout << "Warning tridiagonalize and call again" << std::endl;
+        // exit(1); // see what is going on
+        //return;
+      }
+    }
+  }
+
+  do{
+    do{
+      //Jasper
+      //Check if the subdiagonal term is small enough (<small)
+      //if true then it is converged.
+      //check start from H.dim - e - 1
+      //How to deal with more than 2 are converged?
+      //What if Chop_symm_subdiag return something int the middle?
+      //--------------
+      l = Chop_symm_subdiag(H,nrm, e, small);
+      r = 0;    ///May have converged on more than one eval
+      //Jasper
+      //In this case
+      // x  x  0  0  0  0
+      // x  x  x  0  0  0
+      // 0  x  x  x  0  0
+      // 0  0  x  x  x  0
+      // 0  0  0  x  x  0
+      // 0  0  0  0  0  x  <- l
+      //--------------
+      ///Single eval
+      if(l == N - 1)
+      {
+        evals[e] = H[l][l];
+        N--;
+        e++;
+        r++;
+        it = 0;
+      }
+      //Jasper
+      // x  x  0  0  0  0
+      // x  x  x  0  0  0
+      // 0  x  x  x  0  0
+      // 0  0  x  x  0  0
+      // 0  0  0  0  x  x  <- l
+      // 0  0  0  0  x  x
+      //--------------
+      ///RealD eval
+      if(l == N - 2)
+      {
+        trows[l + 1] = 1;    ///Needed for UTSolve
+        apd = H[l][l] + H[l + 1][ l + 1];
+        amd = H[l][l] - H[l + 1][l + 1];
+        bc =  (T) 4.0 * H[l + 1][l] * H[l][l + 1];
+        evals[e] = (T) 0.5 * (apd + sqrt(amd * amd + bc));
+        evals[e + 1] = (T) 0.5 * (apd - sqrt(amd * amd + bc));
+        N -= 2;
+        e += 2;
+        r++;
+        it = 0;
+      }
+    }while(r > 0);
+    //Jasper
+    //Already converged
+    //--------------
+    if(N == 0) break;
+
+    DenseVector<T> ck,v; Resize(ck,2); Resize(v,2);
+
+    for(int m = N - 3; m >= l; m--)
+    {
+      ///Starting vector essentially random shift.
+      if(it%10 == 0 && N >= 3 && it > 0)
+      {
+        t = abs(H[N - 1][N - 2]) + abs(H[N - 2][N - 3]);
+        x = H[m][m] - t;
+        z = H[m + 1][m];
+      } else {
+      ///Starting vector implicit Q theorem
+        d = (H[N - 2][N - 2] - H[N - 1][N - 1]) * (T) 0.5;
+        t =  H[N - 1][N - 1] - H[N - 1][N - 2] * H[N - 1][N - 2] 
+	  / (d + sign(d) * sqrt(d * d + H[N - 1][N - 2] * H[N - 1][N - 2]));
+        x = H[m][m] - t;
+        z = H[m + 1][m];
+      }
+      //Jasper
+      //why it is here????
+      //-----------------------
+      if(m == l)
+        break;
+
+      u = abs(H[m][m - 1]) * (abs(y) + abs(z));
+      d = abs(x) * (abs(H[m - 1][m - 1]) + abs(H[m][m]) + abs(H[m + 1][m + 1]));
+      if ((T)abs(u + d) == (T)abs(d))
+      {
+        l = m;
+        break;
+      }
+    }
+    //Jasper
+    if(it > 1000000)
+    {
+      std::cout << "Wilkinson: bugger it got stuck after 100000 iterations" << std::endl;
+      std::cout << "got " << e << " evals " << l << " " << N << std::endl;
+      exit(1);
+    }
+    //
+    T s, c;
+    Givens_calc<T>(x, z, c, s);
+    Givens_mult<T>(H, l, l + 1, c, -s, 0);
+    Givens_mult<T>(H, l, l + 1, c,  s, 1);
+    Givens_mult<T>(P, l, l + 1, c,  s, 1);
+    //
+    for(int k = l; k < N - 2; ++k)
+    {
+      x = H.A[k + 1][k];
+      z = H.A[k + 2][k];
+      Givens_calc<T>(x, z, c, s);
+      Givens_mult<T>(H, k + 1, k + 2, c, -s, 0);
+      Givens_mult<T>(H, k + 1, k + 2, c,  s, 1);
+      Givens_mult<T>(P, k + 1, k + 2, c,  s, 1);
+    }
+    it++;
+    tot_it++;
+  }while(N > 1);
+
+  N = evals.size();
+  ///Annoying - UT solves in reverse order;
+  DenseVector<T> tmp(N);
+  for(int i = 0; i < N; ++i)
+    tmp[i] = evals[N-i-1];
+  evals = tmp;
+  //
+  UTeigenvectors(H, trows, evals, evecs);
+  //UTSymmEigenvectors(H, trows, evals, evecs);
+  for(int i = 0; i < evals.size(); ++i)
+  {
+    evecs[i] = P * evecs[i];
+    normalize(evecs[i]);
+    evals[i] = evals[i] * Hnorm;
+  }
+  // // FIXME this is to test
+  // Hin.write("evecs3", evecs);
+  // Hin.write("evals3", evals);
+  // // check rsd
+  // for(int i = 0; i < M; i++) {
+  //   vector<T> Aevec = Hin * evecs[i];
+  //   RealD norm2(0.);
+  //   for(int j = 0; j < M; j++) {
+  //     norm2 += (Aevec[j] - evals[i] * evecs[i][j]) * (Aevec[j] - evals[i] * evecs[i][j]);
+  //   }
+  // }
+  return tot_it;
+}
+
+template <class T>
+void Hess(DenseMatrix<T > &A, DenseMatrix<T> &Q, int start){
+
+  /**
+  turn a matrix A =
+  x  x  x  x  x
+  x  x  x  x  x
+  x  x  x  x  x
+  x  x  x  x  x
+  x  x  x  x  x
+  into
+  x  x  x  x  x
+  x  x  x  x  x
+  0  x  x  x  x
+  0  0  x  x  x
+  0  0  0  x  x
+  with householder rotations
+  Slow.
+  */
+  int N ; SizeSquare(A,N);
+  DenseVector<T > p; Resize(p,N); Fill(p,0);
+
+  for(int k=start;k<N-2;k++){
+    //cerr << "hess" << k << std::endl;
+    DenseVector<T > ck,v; Resize(ck,N-k-1); Resize(v,N-k-1);
+    for(int i=k+1;i<N;i++){ck[i-k-1] = A(i,k);}  ///kth column
+    normalize(ck);    ///Normalization cancels in PHP anyway
+    T beta;
+    Householder_vector<T >(ck, 0, ck.size()-1, v, beta);  ///Householder vector
+    Householder_mult<T>(A,v,beta,start,k+1,N-1,0);  ///A -> PA
+    Householder_mult<T >(A,v,beta,start,k+1,N-1,1);  ///PA -> PAP^H
+    ///Accumulate eigenvector
+    Householder_mult<T >(Q,v,beta,start,k+1,N-1,1);  ///Q -> QP^H
+  }
+  /*for(int l=0;l<N-2;l++){
+    for(int k=l+2;k<N;k++){
+    A(0,k,l);
+    }
+    }*/
+}
+
+template <class T>
+void Tri(DenseMatrix<T > &A, DenseMatrix<T> &Q, int start){
+///Tridiagonalize a matrix
+  int N; SizeSquare(A,N);
+  Hess(A,Q,start);
+  /*for(int l=0;l<N-2;l++){
+    for(int k=l+2;k<N;k++){
+    A(0,l,k);
+    }
+    }*/
+}
+
+template <class T>
+void ForceTridiagonal(DenseMatrix<T> &A){
+///Tridiagonalize a matrix
+  int N ; SizeSquare(A,N);
+  for(int l=0;l<N-2;l++){
+    for(int k=l+2;k<N;k++){
+      A[l][k]=0;
+      A[k][l]=0;
+    }
+  }
+}
+
+template <class T>
+int my_SymmEigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
+  ///Solve a symmetric eigensystem, not necessarily in tridiagonal form
+  int N; SizeSquare(Ain,N);
+  DenseMatrix<T > A; A = Ain;
+  DenseMatrix<T > Q; Resize(Q,N,N); Unity(Q);
+  Tri(A,Q,0);
+  int it = my_Wilkinson<T>(A, evals, evecs, small);
+  for(int k=0;k<N;k++){evecs[k] = Q*evecs[k];}
+  return it;
+}
+
+
+template <class T>
+int Wilkinson(DenseMatrix<T> &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
+  return my_Wilkinson(Ain, evals, evecs, small);
+}
+
+template <class T>
+int SymmEigensystem(DenseMatrix<T> &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
+  return my_SymmEigensystem(Ain, evals, evecs, small);
+}
+
+template <class T>
+int Eigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
+///Solve a general eigensystem, not necessarily in tridiagonal form
+  int N = Ain.dim;
+  DenseMatrix<T > A(N); A = Ain;
+  DenseMatrix<T > Q(N);Q.Unity();
+  Hess(A,Q,0);
+  int it = QReigensystem<T>(A, evals, evecs, small);
+  for(int k=0;k<N;k++){evecs[k] = Q*evecs[k];}
+  return it;
+}
+
+}
+#endif

lib/algorithms/densematrix/Householder.h

@@ -0,0 +1,242 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/Householder.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef HOUSEHOLDER_H
+#define HOUSEHOLDER_H
+
+#define TIMER(A) std::cout << GridLogMessage << __FUNC__ << " file "<< __FILE__ <<" line " << __LINE__ << std::endl;
+#define ENTER()  std::cout << GridLogMessage << "ENTRY "<<__FUNC__ << " file "<< __FILE__ <<" line " << __LINE__ << std::endl;
+#define LEAVE()  std::cout << GridLogMessage << "EXIT  "<<__FUNC__ << " file "<< __FILE__ <<" line " << __LINE__ << std::endl;
+
+#include <cstdlib>
+#include <string>
+#include <cmath>
+#include <iostream>
+#include <sstream>
+#include <stdexcept>
+#include <fstream>
+#include <complex>
+#include <algorithm>
+
+namespace Grid {
+/** Comparison function for finding the max element in a vector **/
+template <class T> bool cf(T i, T j) { 
+  return abs(i) < abs(j); 
+}
+
+/** 
+	Calculate a real Givens angle 
+ **/
+template <class T> inline void Givens_calc(T y, T z, T &c, T &s){
+
+  RealD mz = (RealD)abs(z);
+  
+  if(mz==0.0){
+    c = 1; s = 0;
+  }
+  if(mz >= (RealD)abs(y)){
+    T t = -y/z;
+    s = (T)1.0 / sqrt ((T)1.0 + t * t);
+    c = s * t;
+  } else {
+    T t = -z/y;
+    c = (T)1.0 / sqrt ((T)1.0 + t * t);
+    s = c * t;
+  }
+}
+
+template <class T> inline void Givens_mult(DenseMatrix<T> &A,  int i, int k, T c, T s, int dir)
+{
+  int q ; SizeSquare(A,q);
+
+  if(dir == 0){
+    for(int j=0;j<q;j++){
+      T nu = A[i][j];
+      T w  = A[k][j];
+      A[i][j] = (c*nu + s*w);
+      A[k][j] = (-s*nu + c*w);
+    }
+  }
+
+  if(dir == 1){
+    for(int j=0;j<q;j++){
+      T nu = A[j][i];
+      T w  = A[j][k];
+      A[j][i] = (c*nu - s*w);
+      A[j][k] = (s*nu + c*w);
+    }
+  }
+}
+
+/**
+	from input = x;
+	Compute the complex Householder vector, v, such that
+	P = (I - b v transpose(v) )
+	b = 2/v.v
+
+	P | x |    | x | k = 0
+	| x |    | 0 | 
+	| x | =  | 0 |
+	| x |    | 0 | j = 3
+	| x |	   | x |
+
+	These are the "Unreduced" Householder vectors.
+
+ **/
+template <class T> inline void Householder_vector(DenseVector<T> input, int k, int j, DenseVector<T> &v, T &beta)
+{
+  int N ; Size(input,N);
+  T m = *max_element(input.begin() + k, input.begin() + j + 1, cf<T> );
+
+  if(abs(m) > 0.0){
+    T alpha = 0;
+
+    for(int i=k; i<j+1; i++){
+      v[i] = input[i]/m;
+      alpha = alpha + v[i]*conj(v[i]);
+    }
+    alpha = sqrt(alpha);
+    beta = (T)1.0/(alpha*(alpha + abs(v[k]) ));
+
+    if(abs(v[k]) > 0.0)  v[k] = v[k] + (v[k]/abs(v[k]))*alpha;
+    else                 v[k] = -alpha;
+  } else{
+    for(int i=k; i<j+1; i++){
+      v[i] = 0.0;
+    } 
+  }
+}
+
+/**
+	from input = x;
+	Compute the complex Householder vector, v, such that
+	P = (I - b v transpose(v) )
+	b = 2/v.v
+
+	Px = alpha*e_dir
+
+	These are the "Unreduced" Householder vectors.
+
+ **/
+
+template <class T> inline void Householder_vector(DenseVector<T> input, int k, int j, int dir, DenseVector<T> &v, T &beta)
+{
+  int N = input.size();
+  T m = *max_element(input.begin() + k, input.begin() + j + 1, cf);
+  
+  if(abs(m) > 0.0){
+    T alpha = 0;
+
+    for(int i=k; i<j+1; i++){
+      v[i] = input[i]/m;
+      alpha = alpha + v[i]*conj(v[i]);
+    }
+    
+    alpha = sqrt(alpha);
+    beta = 1.0/(alpha*(alpha + abs(v[dir]) ));
+	
+    if(abs(v[dir]) > 0.0) v[dir] = v[dir] + (v[dir]/abs(v[dir]))*alpha;
+    else                  v[dir] = -alpha;
+  }else{
+    for(int i=k; i<j+1; i++){
+      v[i] = 0.0;
+    } 
+  }
+}
+
+/**
+	Compute the product PA if trans = 0
+	AP if trans = 1
+	P = (I - b v transpose(v) )
+	b = 2/v.v
+	start at element l of matrix A
+	v is of length j - k + 1 of v are nonzero
+ **/
+
+template <class T> inline void Householder_mult(DenseMatrix<T> &A , DenseVector<T> v, T beta, int l, int k, int j, int trans)
+{
+  int N ; SizeSquare(A,N);
+
+  if(abs(beta) > 0.0){
+    for(int p=l; p<N; p++){
+      T s = 0;
+      if(trans==0){
+	for(int i=k;i<j+1;i++) s += conj(v[i-k])*A[i][p];
+	s *= beta;
+	for(int i=k;i<j+1;i++){ A[i][p] = A[i][p]-s*conj(v[i-k]);}
+      } else {
+	for(int i=k;i<j+1;i++){ s += conj(v[i-k])*A[p][i];}
+	s *= beta;
+	for(int i=k;i<j+1;i++){ A[p][i]=A[p][i]-s*conj(v[i-k]);}
+      }
+    }
+  }
+}
+
+/**
+	Compute the product PA if trans = 0
+	AP if trans = 1
+	P = (I - b v transpose(v) )
+	b = 2/v.v
+	start at element l of matrix A
+	v is of length j - k + 1 of v are nonzero
+	A is tridiagonal
+ **/
+template <class T> inline void Householder_mult_tri(DenseMatrix<T> &A , DenseVector<T> v, T beta, int l, int M, int k, int j, int trans)
+{
+  if(abs(beta) > 0.0){
+
+    int N ; SizeSquare(A,N);
+
+    DenseMatrix<T> tmp; Resize(tmp,N,N); Fill(tmp,0); 
+
+    T s;
+    for(int p=l; p<M; p++){
+      s = 0;
+      if(trans==0){
+	for(int i=k;i<j+1;i++) s = s + conj(v[i-k])*A[i][p];
+      }else{
+	for(int i=k;i<j+1;i++) s = s + v[i-k]*A[p][i];
+      }
+      s = beta*s;
+      if(trans==0){
+	for(int i=k;i<j+1;i++) tmp[i][p] = tmp(i,p) - s*v[i-k];
+      }else{
+	for(int i=k;i<j+1;i++) tmp[p][i] = tmp[p][i] - s*conj(v[i-k]);
+      }
+    }
+    for(int p=l; p<M; p++){
+      if(trans==0){
+	for(int i=k;i<j+1;i++) A[i][p] = A[i][p] + tmp[i][p];
+      }else{
+	for(int i=k;i<j+1;i++) A[p][i] = A[p][i] + tmp[p][i];
+      }
+    }
+  }
+}
+}
+#endif

lib/algorithms/iterative/ConjugateGradient.h

@@ -54,6 +54,7 @@ class ConjugateGradient : public OperatorFunction<Field> {
 
   void operator()(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi) {
 
+
     psi.checkerboard = src.checkerboard;
     conformable(psi, src);
 
@@ -69,7 +70,6 @@ class ConjugateGradient : public OperatorFunction<Field> {
 
     
     Linop.HermOpAndNorm(psi, mmp, d, b);
-    
 
     r = src - mmp;
     p = r;
@@ -96,38 +96,44 @@ class ConjugateGradient : public OperatorFunction<Field> {
               << "ConjugateGradient: k=0 residual " << cp << " target " << rsq << std::endl;
 
     GridStopWatch LinalgTimer;
+    GridStopWatch InnerTimer;
+    GridStopWatch AxpyNormTimer;
+    GridStopWatch LinearCombTimer;
     GridStopWatch MatrixTimer;
     GridStopWatch SolverTimer;
 
     SolverTimer.Start();
     int k;
-    for (k = 1; k <= MaxIterations; k++) {
+    for (k = 1; k <= MaxIterations*1000; k++) {
       c = cp;
 
       MatrixTimer.Start();
-      Linop.HermOpAndNorm(p, mmp, d, qq);
+      Linop.HermOp(p, mmp);
       MatrixTimer.Stop();
 
       LinalgTimer.Start();
-      //  RealD    qqck = norm2(mmp);
-      //  ComplexD dck  = innerProduct(p,mmp);
 
+      InnerTimer.Start();
+      ComplexD dc  = innerProduct(p,mmp);
+      InnerTimer.Stop();
+      d = dc.real();
       a = c / d;
-      b_pred = a * (a * qq - d) / c;
 
+      AxpyNormTimer.Start();
       cp = axpy_norm(r, -a, mmp, r);
+      AxpyNormTimer.Stop();
       b = cp / c;
 
-      // Fuse these loops ; should be really easy
-      psi = a * p + psi;
-      p = p * b + r;
-
+      LinearCombTimer.Start();
+      parallel_for(int ss=0;ss<src._grid->oSites();ss++){
+	vstream(psi[ss], a      *  p[ss] + psi[ss]);
+	vstream(p  [ss], b      *  p[ss] + r[ss]);
+      }
+      LinearCombTimer.Stop();
       LinalgTimer.Stop();
 
       std::cout << GridLogIterative << "ConjugateGradient: Iteration " << k
                 << " residual " << cp << " target " << rsq << std::endl;
-      std::cout << GridLogDebug << "a = "<< a << " b_pred = "<< b_pred << "  b = "<< b << std::endl;
-      std::cout << GridLogDebug << "qq = "<< qq << " d = "<< d << "  c = "<< c << std::endl;
 
       // Stopping condition
       if (cp <= rsq) {
@@ -148,6 +154,9 @@ class ConjugateGradient : public OperatorFunction<Field> {
 	std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed() <<std::endl;
 	std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed() <<std::endl;
 	std::cout << GridLogMessage << "\tLinalg     " << LinalgTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tInner      " << InnerTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tAxpyNorm   " << AxpyNormTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tLinearComb " << LinearCombTimer.Elapsed() <<std::endl;
 
         if (ErrorOnNoConverge) assert(true_residual / Tolerance < 10000.0);
 

lib/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -60,6 +60,7 @@ namespace Grid {
     }
   
     void operator() (const FieldD &src_d_in, FieldD &sol_d){
+
       TotalInnerIterations = 0;
 	
       GridStopWatch TotalTimer;

lib/algorithms/iterative/ConjugateGradientMultiShift.h

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

lib/algorithms/iterative/Deflation.h

@@ -0,0 +1,101 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef GRID_DEFLATION_H
+#define GRID_DEFLATION_H
+
+namespace Grid { 
+
+struct ZeroGuesser {
+public:
+  template<class Field> 
+  void operator()(const Field &src,Field &guess) { guess = Zero(); };
+};
+struct SourceGuesser {
+public:
+  template<class Field> 
+  void operator()(const Field &src,Field &guess) { guess = src; };
+};
+
+////////////////////////////////
+// Fine grid deflation
+////////////////////////////////
+template<class Field>
+struct DeflatedGuesser {
+private:
+  const std::vector<Field> &evec;
+  const std::vector<RealD> &eval;
+
+public:
+
+  DeflatedGuesser(const std::vector<Field> & _evec,const std::vector<RealD> & _eval) : evec(_evec), eval(_eval) {};
+
+  void operator()(const Field &src,Field &guess) { 
+    guess = zero;
+    assert(evec.size()==eval.size());
+    auto N = evec.size();
+    for (int i=0;i<N;i++) {
+      const Field& tmp = evec[i];
+      axpy(guess,TensorRemove(innerProduct(tmp,src)) / eval[i],tmp,guess);
+    }
+  }
+};
+
+template<class FineField, class CoarseField>
+class LocalCoherenceDeflatedGuesser {
+private:
+  const std::vector<FineField>   &subspace;
+  const std::vector<CoarseField> &evec_coarse;
+  const std::vector<RealD>       &eval_coarse;
+public:
+  
+  LocalCoherenceDeflatedGuesser(const std::vector<FineField>   &_subspace,
+				const std::vector<CoarseField> &_evec_coarse,
+				const std::vector<RealD>       &_eval_coarse)
+    : subspace(_subspace), 
+      evec_coarse(_evec_coarse), 
+      eval_coarse(_eval_coarse)  
+  {
+  }
+  
+  void operator()(const FineField &src,FineField &guess) { 
+    int N = (int)evec_coarse.size();
+    CoarseField src_coarse(evec_coarse[0]._grid);
+    CoarseField guess_coarse(evec_coarse[0]._grid);    guess_coarse = zero;
+    blockProject(src_coarse,src,subspace);    
+    for (int i=0;i<N;i++) {
+      const CoarseField & tmp = evec_coarse[i];
+      axpy(guess_coarse,TensorRemove(innerProduct(tmp,src_coarse)) / eval_coarse[i],tmp,guess_coarse);
+    }
+    blockPromote(guess_coarse,guess,subspace);
+  };
+};
+
+
+
+}
+#endif

lib/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h

@@ -0,0 +1,979 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Chulwoo Jung
+Author: Yong-Chull Jang <ypj@quark.phy.bnl.gov> 
+Author: Guido Cossu
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef GRID_IRBL_H
+#define GRID_IRBL_H
+
+#include <string.h> //memset
+
+#define Glog std::cout << GridLogMessage 
+
+namespace Grid {
+
+enum class LanczosType { irbl, rbl };
+
+/////////////////////////////////////////////////////////////
+// Implicitly restarted block lanczos
+/////////////////////////////////////////////////////////////
+template<class Field> 
+class ImplicitlyRestartedBlockLanczos {
+
+private:       
+  
+  std::string cname = std::string("ImplicitlyRestartedBlockLanczos");
+  int MaxIter;   // Max iterations
+  int Nstop;     // Number of evecs checked for convergence
+  int Nu;        // Numbeer of vecs in the unit block
+  int Nk;        // Number of converged sought
+  int Nm;        // total number of vectors
+  int Nblock_k;    // Nk/Nu
+  int Nblock_m;    // Nm/Nu
+  int Nconv_test_interval; // Number of skipped vectors when checking a convergence
+  RealD eresid;
+  IRLdiagonalisation diagonalisation;
+  ////////////////////////////////////
+  // Embedded objects
+  ////////////////////////////////////
+           SortEigen<Field> _sort;
+  LinearOperatorBase<Field> &_Linop;
+    OperatorFunction<Field> &_poly;
+
+  /////////////////////////
+  // Constructor
+  /////////////////////////
+public:       
+ ImplicitlyRestartedBlockLanczos(LinearOperatorBase<Field> &Linop, // op
+                                 OperatorFunction<Field> & poly,   // polynomial
+                                 int _Nstop, // really sought vecs
+                                 int _Nconv_test_interval, // conv check interval
+                                 int _Nu,    // vecs in the unit block
+                                 int _Nk,    // sought vecs
+                                 int _Nm,    // total vecs
+                                 RealD _eresid, // resid in lmd deficit 
+                                 int _MaxIter,  // Max iterations
+                                 IRLdiagonalisation _diagonalisation = IRLdiagonaliseWithEigen)
+   : _Linop(Linop),    _poly(poly),
+      Nstop(_Nstop), Nconv_test_interval(_Nconv_test_interval), 
+      Nu(_Nu), Nk(_Nk), Nm(_Nm), 
+      Nblock_m(_Nm/_Nu), Nblock_k(_Nk/_Nu),
+      //eresid(_eresid),  MaxIter(10),
+      eresid(_eresid),  MaxIter(_MaxIter),
+      diagonalisation(_diagonalisation)
+  { assert( (Nk%Nu==0) && (Nm%Nu==0) ); };
+
+  ////////////////////////////////
+  // Helpers
+  ////////////////////////////////
+  static RealD normalize(Field& v) 
+  {
+    RealD nn = norm2(v);
+    nn = sqrt(nn);
+    v = v * (1.0/nn);
+    return nn;
+  }
+  
+  void orthogonalize(Field& w, std::vector<Field>& evec, int k)
+  {
+    typedef typename Field::scalar_type MyComplex;
+    MyComplex ip;
+    
+    for(int j=0; j<k; ++j){
+      ip = innerProduct(evec[j],w); 
+      w = w - ip * evec[j];
+    }
+    normalize(w);
+  }
+  
+  void orthogonalize_blockhead(Field& w, std::vector<Field>& evec, int k, int Nu)
+  {
+    typedef typename Field::scalar_type MyComplex;
+    MyComplex ip;
+    
+    for(int j=0; j<k; ++j){
+      ip = innerProduct(evec[j*Nu],w); 
+      w = w - ip * evec[j*Nu];
+    }
+    normalize(w);
+  }
+  
+  void calc(std::vector<RealD>& eval,  
+            std::vector<Field>& evec, 
+            const std::vector<Field>& src, int& Nconv, LanczosType Impl)
+  {
+    switch (Impl) {
+      case LanczosType::irbl: 
+        calc_irbl(eval,evec,src,Nconv);
+        break;
+      
+      case LanczosType::rbl: 
+        calc_rbl(eval,evec,src,Nconv);
+        break;
+    }
+  }
+
+  void calc_irbl(std::vector<RealD>& eval,  
+                 std::vector<Field>& evec, 
+                 const std::vector<Field>& src, int& Nconv)
+  {
+    std::string fname = std::string(cname+"::calc_irbl()"); 
+    GridBase *grid = evec[0]._grid;
+    assert(grid == src[0]._grid);
+    assert( Nu = src.size() );
+    
+    Glog << std::string(74,'*') << std::endl;
+    Glog << fname + " starting iteration 0 /  "<< MaxIter<< std::endl;
+    Glog << std::string(74,'*') << std::endl;
+    Glog <<" -- seek   Nk    = "<< Nk    <<" vectors"<< std::endl;
+    Glog <<" -- accept Nstop = "<< Nstop <<" vectors"<< std::endl;
+    Glog <<" -- total  Nm    = "<< Nm    <<" vectors"<< std::endl;
+    Glog <<" -- size of eval = "<< eval.size() << std::endl;
+    Glog <<" -- size of evec = "<< evec.size() << std::endl;
+    if ( diagonalisation == IRLdiagonaliseWithEigen ) { 
+      Glog << "Diagonalisation is Eigen "<< std::endl;
+    } else {
+      abort();
+    }
+    Glog << std::string(74,'*') << std::endl;
+    
+    assert(Nm == evec.size() && Nm == eval.size());
+	
+    std::vector<std::vector<ComplexD>> lmd(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<std::vector<ComplexD>> lme(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<std::vector<ComplexD>> lmd2(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<std::vector<ComplexD>> lme2(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<RealD> eval2(Nm);
+    std::vector<RealD> resid(Nk);
+
+    Eigen::MatrixXcd    Qt = Eigen::MatrixXcd::Zero(Nm,Nm);
+    Eigen::MatrixXcd    Q = Eigen::MatrixXcd::Zero(Nm,Nm);
+
+    std::vector<int>   Iconv(Nm);
+    std::vector<Field>  B(Nm,grid); // waste of space replicating
+    
+    std::vector<Field> f(Nu,grid);
+    std::vector<Field> f_copy(Nu,grid);
+    Field v(grid);
+    
+    Nconv = 0;
+    
+    RealD beta_k;
+  
+    // set initial vector
+    for (int i=0; i<Nu; ++i) {
+      Glog << "norm2(src[" << i << "])= "<< norm2(src[i]) << std::endl;
+      evec[i] = src[i];
+      orthogonalize(evec[i],evec,i);
+      Glog << "norm2(evec[" << i << "])= "<< norm2(evec[i]) << std::endl;
+    }
+    
+    // initial Nblock_k steps
+    for(int b=0; b<Nblock_k; ++b) blockwiseStep(lmd,lme,evec,f,f_copy,b);
+
+    // restarting loop begins
+    int iter;
+    for(iter = 0; iter<MaxIter; ++iter){
+      
+      Glog <<"#Restart iteration = "<< iter << std::endl;
+      // additional (Nblock_m - Nblock_k) steps
+      for(int b=Nblock_k; b<Nblock_m; ++b) blockwiseStep(lmd,lme,evec,f,f_copy,b);
+      
+      // getting eigenvalues
+      for(int u=0; u<Nu; ++u){
+        for(int k=0; k<Nm; ++k){
+          lmd2[u][k] = lmd[u][k];
+          lme2[u][k] = lme[u][k];
+        }
+      }
+      Qt = Eigen::MatrixXcd::Identity(Nm,Nm);
+      diagonalize(eval2,lmd2,lme2,Nu,Nm,Nm,Qt,grid);
+      _sort.push(eval2,Nm);
+      Glog << "#Ritz value before shift: "<< std::endl;
+      for(int i=0; i<Nm; ++i){
+        std::cout.precision(13);
+        std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
+        std::cout << "Rval = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[i] << std::endl;
+      }
+      
+      //----------------------------------------------------------------------
+      if ( Nm>Nk ) {
+        Glog <<" #Apply shifted QR transformations "<<std::endl;
+        //int k2 = Nk+Nu;
+        int k2 = Nk;
+      
+        Eigen::MatrixXcd BTDM = Eigen::MatrixXcd::Identity(Nm,Nm);
+        Q = Eigen::MatrixXcd::Identity(Nm,Nm);
+        
+        unpackHermitBlockTriDiagMatToEigen(lmd,lme,Nu,Nblock_m,Nm,Nm,BTDM);
+
+        for(int ip=Nk; ip<Nm; ++ip){ 
+          shiftedQRDecompEigen(BTDM,Nu,Nm,eval2[ip],Q);
+        }
+        
+        packHermitBlockTriDiagMatfromEigen(lmd,lme,Nu,Nblock_m,Nm,Nm,BTDM);
+
+        for(int i=0; i<k2; ++i) B[i] = 0.0;
+        for(int j=0; j<k2; ++j){
+          for(int k=0; k<Nm; ++k){
+            B[j].checkerboard = evec[k].checkerboard;
+            B[j] += evec[k]*Q(k,j);
+          }
+        }
+        for(int i=0; i<k2; ++i) evec[i] = B[i];
+
+        // reconstruct initial vector for additional pole space
+        blockwiseStep(lmd,lme,evec,f,f_copy,Nblock_k-1);
+
+        // getting eigenvalues
+        for(int u=0; u<Nu; ++u){
+          for(int k=0; k<Nm; ++k){
+            lmd2[u][k] = lmd[u][k];
+            lme2[u][k] = lme[u][k];
+          }
+        }
+        Qt = Eigen::MatrixXcd::Identity(Nm,Nm);
+        diagonalize(eval2,lmd2,lme2,Nu,Nk,Nm,Qt,grid);
+        _sort.push(eval2,Nk);
+        Glog << "#Ritz value after shift: "<< std::endl;
+        for(int i=0; i<Nk; ++i){
+          std::cout.precision(13);
+          std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
+          std::cout << "Rval = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[i] << std::endl;
+        }
+      }
+      //----------------------------------------------------------------------
+
+      // Convergence test
+      Glog <<" #Convergence test: "<<std::endl;
+      for(int k = 0; k<Nk; ++k) B[k]=0.0;
+      for(int j = 0; j<Nk; ++j){
+	for(int k = 0; k<Nk; ++k){
+	  B[j].checkerboard = evec[k].checkerboard;
+	  B[j] += evec[k]*Qt(k,j);
+	}
+      }
+      
+      Nconv = 0;
+      for(int i=0; i<Nk; ++i){
+	
+        _Linop.HermOp(B[i],v);
+	RealD vnum = real(innerProduct(B[i],v)); // HermOp.
+	RealD vden = norm2(B[i]);
+	eval2[i] = vnum/vden;
+	v -= eval2[i]*B[i];
+	RealD vv = norm2(v);
+        resid[i] = vv;
+	
+	std::cout.precision(13);
+        std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
+	std::cout << "eval = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[i];
+	std::cout << "   resid^2 = "<< std::setw(20)<< std::setiosflags(std::ios_base::right)<< vv<< std::endl;
+	
+	// change the criteria as evals are supposed to be sorted, all evals smaller(larger) than Nstop should have converged
+	//if( (vv<eresid*eresid) && (i == Nconv) ){
+	if (vv<eresid*eresid) {
+	  Iconv[Nconv] = i;
+	  ++Nconv;
+	}
+	
+      }  // i-loop end
+      
+      Glog <<" #modes converged: "<<Nconv<<std::endl;
+      for(int i=0; i<Nconv; ++i){
+	std::cout.precision(13);
+        std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<Iconv[i]<<"] ";
+	std::cout << "eval_conv = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[Iconv[i]];
+	std::cout << "   resid^2 = "<< std::setw(20)<< std::setiosflags(std::ios_base::right)<< resid[Iconv[i]]<< std::endl;
+      } 
+
+      if ( Nconv>=Nstop ) break;
+
+    } // end of iter loop
+    
+    Glog << std::string(74,'*') << std::endl;
+    if ( Nconv<Nstop ) {
+      Glog << fname + " NOT converged ; Summary :\n";
+    } else {
+      Glog << fname + " CONVERGED ; Summary :\n";
+      // Sort convered eigenpairs.
+      eval.resize(Nconv);
+      evec.resize(Nconv,grid);
+      for(int i=0; i<Nconv; ++i){
+        eval[i] = eval2[Iconv[i]];
+        evec[i] = B[Iconv[i]];
+      }
+      _sort.push(eval,evec,Nconv);
+    }
+    Glog << std::string(74,'*') << std::endl;
+    Glog << " -- Iterations  = "<< iter   << "\n";
+    //Glog << " -- beta(k)     = "<< beta_k << "\n";
+    Glog << " -- Nconv       = "<< Nconv  << "\n";
+    Glog << std::string(74,'*') << std::endl;
+  
+  }
+  
+  
+  void calc_rbl(std::vector<RealD>& eval,  
+                 std::vector<Field>& evec, 
+                 const std::vector<Field>& src, int& Nconv)
+  {
+    std::string fname = std::string(cname+"::calc_rbl()"); 
+    GridBase *grid = evec[0]._grid;
+    assert(grid == src[0]._grid);
+    assert( Nu = src.size() );
+
+    int Np = (Nm-Nk);
+    if (Np > 0 && MaxIter > 1) Np /= MaxIter;
+    int Nblock_p = Np/Nu;
+    
+    Glog << std::string(74,'*') << std::endl;
+    Glog << fname + " starting iteration 0 /  "<< MaxIter<< std::endl;
+    Glog << std::string(74,'*') << std::endl;
+    Glog <<" -- seek (min) Nk    = "<< Nk    <<" vectors"<< std::endl;
+    Glog <<" -- seek (inc) Np    = "<< Np <<" vectors"<< std::endl;
+    Glog <<" -- seek (max) Nm    = "<< Nm    <<" vectors"<< std::endl;
+    Glog <<" -- accept Nstop     = "<< Nstop <<" vectors"<< std::endl;
+    Glog <<" -- size of eval     = "<< eval.size() << std::endl;
+    Glog <<" -- size of evec     = "<< evec.size() << std::endl;
+    if ( diagonalisation == IRLdiagonaliseWithEigen ) { 
+      Glog << "Diagonalisation is Eigen "<< std::endl;
+    } else {
+      abort();
+    }
+    Glog << std::string(74,'*') << std::endl;
+    
+    assert(Nm == evec.size() && Nm == eval.size());
+	
+    std::vector<std::vector<ComplexD>> lmd(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<std::vector<ComplexD>> lme(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<std::vector<ComplexD>> lmd2(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<std::vector<ComplexD>> lme2(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<RealD> eval2(Nk);
+    std::vector<RealD> resid(Nm);
+
+    Eigen::MatrixXcd    Qt = Eigen::MatrixXcd::Zero(Nm,Nm);
+    Eigen::MatrixXcd    Q = Eigen::MatrixXcd::Zero(Nm,Nm);
+
+    std::vector<int>   Iconv(Nm);
+    std::vector<Field>  B(Nm,grid); // waste of space replicating
+    
+    std::vector<Field> f(Nu,grid);
+    std::vector<Field> f_copy(Nu,grid);
+    Field v(grid);
+    
+    Nconv = 0;
+    
+    RealD beta_k;
+  
+    // set initial vector
+    for (int i=0; i<Nu; ++i) {
+      Glog << "norm2(src[" << i << "])= "<< norm2(src[i]) << std::endl;
+      evec[i] = src[i];
+      orthogonalize(evec[i],evec,i);
+      Glog << "norm2(evec[" << i << "])= "<< norm2(evec[i]) << std::endl;
+    }
+    
+    // initial Nblock_k steps
+    for(int b=0; b<Nblock_k; ++b) blockwiseStep(lmd,lme,evec,f,f_copy,b);
+
+    // restarting loop begins
+    int iter;
+    int Nblock_l, Nblock_r;
+    int Nl, Nr;
+    int Nconv_guess = 0;
+
+    for(iter = 0; iter<MaxIter; ++iter){
+         
+      Glog <<"#Restart iteration = "<< iter << std::endl;
+      
+      Nblock_l = Nblock_k + iter*Nblock_p;
+      Nblock_r = Nblock_l + Nblock_p;
+      Nl = Nblock_l*Nu;
+      Nr = Nblock_r*Nu;
+      eval2.resize(Nr);
+
+      // additional Nblock_p steps
+      for(int b=Nblock_l; b<Nblock_r; ++b) blockwiseStep(lmd,lme,evec,f,f_copy,b);
+      
+      // getting eigenvalues
+      for(int u=0; u<Nu; ++u){
+        for(int k=0; k<Nr; ++k){
+          lmd2[u][k] = lmd[u][k];
+          lme2[u][k] = lme[u][k];
+        }
+      }
+      Qt = Eigen::MatrixXcd::Identity(Nr,Nr);
+      diagonalize(eval2,lmd2,lme2,Nu,Nr,Nr,Qt,grid);
+      _sort.push(eval2,Nr);
+      Glog << "#Ritz value: "<< std::endl;
+      for(int i=0; i<Nr; ++i){
+        std::cout.precision(13);
+        std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
+        std::cout << "Rval = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[i] << std::endl;
+      }
+      
+      // Convergence test
+      Glog <<" #Convergence test: "<<std::endl;
+      Nconv = 0;
+      for(int k = 0; k<Nr; ++k) B[k]=0.0;
+      for(int j = 0; j<Nr; j+=Nconv_test_interval){
+        if ( j/Nconv_test_interval == Nconv ) {
+          Glog <<" #rotation for next check point evec" 
+               << std::setw(4)<< std::setiosflags(std::ios_base::right) 
+               << "["<< j <<"]" <<std::endl;
+          for(int k = 0; k<Nr; ++k){
+            B[j].checkerboard = evec[k].checkerboard;
+            B[j] += evec[k]*Qt(k,j);
+          }
+          
+          _Linop.HermOp(B[j],v);
+          RealD vnum = real(innerProduct(B[j],v)); // HermOp.
+          RealD vden = norm2(B[j]);
+          eval2[j] = vnum/vden;
+          v -= eval2[j]*B[j];
+          RealD vv = norm2(v);
+          resid[j] = vv;
+          
+          std::cout.precision(13);
+          std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<j<<"] ";
+          std::cout << "eval = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[j];
+          std::cout << "   resid^2 = "<< std::setw(20)<< std::setiosflags(std::ios_base::right)<< vv<< std::endl;
+          
+          // change the criteria as evals are supposed to be sorted, all evals smaller(larger) than Nstop should have converged
+          //if( (vv<eresid*eresid) && (i == Nconv) ){
+          if (vv<eresid*eresid) {
+            Iconv[Nconv] = j;
+            ++Nconv;
+          }
+        } else {
+          break;
+        }
+      }  // j-loop end
+      
+      Glog <<" #modes converged: "<<Nconv<<std::endl;
+      for(int i=0; i<Nconv; ++i){
+	std::cout.precision(13);
+        std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<Iconv[i]<<"] ";
+	std::cout << "eval_conv = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[Iconv[i]];
+	std::cout << "   resid^2 = "<< std::setw(20)<< std::setiosflags(std::ios_base::right)<< resid[Iconv[i]]<< std::endl;
+      } 
+
+      (Nconv > 0 ) ? Nconv_guess = 1 + (Nconv-1)*Nconv_test_interval : Nconv_guess = 0;
+      if ( Nconv_guess >= Nstop ) break;
+
+    } // end of iter loop
+    
+    Glog << std::string(74,'*') << std::endl;
+    if ( Nconv_guess < Nstop ) {
+      Glog << fname + " NOT converged ; Summary :\n";
+    } else {
+      Glog << fname + " CONVERGED ; Summary :\n";
+      // Sort convered eigenpairs.
+      eval.resize(Nconv);
+      evec.resize(Nconv,grid);
+      for(int i=0; i<Nconv; ++i){
+        eval[i] = eval2[Iconv[i]];
+        evec[i] = B[Iconv[i]];
+      }
+      _sort.push(eval,evec,Nconv);
+    }
+    Glog << std::string(74,'*') << std::endl;
+    Glog << " -- Iterations    = "<< iter   << "\n";
+    //Glog << " -- beta(k)       = "<< beta_k << "\n";
+    Glog << " -- Nconv         = "<< Nconv  << "\n";
+    Glog << " -- Nconv (guess) = "<< Nconv_guess  << "\n";
+    Glog << std::string(74,'*') << std::endl;
+  
+  }
+
+private:
+  void blockwiseStep(std::vector<std::vector<ComplexD>>& lmd,
+	             std::vector<std::vector<ComplexD>>& lme, 
+	             std::vector<Field>& evec,
+	             std::vector<Field>& w, 
+	             std::vector<Field>& w_copy, 
+                     int b)
+  {
+    const RealD tiny = 1.0e-20;
+    
+    int Nu = w.size();
+    int Nm = evec.size();
+    assert( b < Nm/Nu );
+    
+    // converts block index to full indicies for an interval [L,R)
+    int L = Nu*b;
+    int R = Nu*(b+1);
+
+    Real beta;
+    
+    // 3. wk:=Avk−βkv_{k−1}
+    for (int k=L, u=0; k<R; ++k, ++u) {
+      _poly(_Linop,evec[k],w[u]);      
+    }
+    
+    if (b>0) {
+      for (int u=0; u<Nu; ++u) {
+        //for (int k=L-Nu; k<L; ++k) {
+        for (int k=L-Nu+u; k<L; ++k) {
+          w[u] = w[u] - evec[k] * conjugate(lme[u][k]);
+        }
+      }
+    }
+    
+    // 4. αk:=(vk,wk)
+    //for (int u=0; u<Nu; ++u) {
+    //  for (int k=L; k<R; ++k) {
+    //    lmd[u][k] = innerProduct(evec[k],w[u]);  // lmd = transpose of alpha
+    //  }
+    //  lmd[u][L+u] = real(lmd[u][L+u]);  // force diagonal to be real
+    //}
+    for (int u=0; u<Nu; ++u) {
+      for (int k=L+u; k<R; ++k) {
+        lmd[u][k] = innerProduct(evec[k],w[u]);  // lmd = transpose of alpha
+        lmd[k-L][u+L] = conjugate(lmd[u][k]);     // force hermicity
+      }
+      lmd[u][L+u] = real(lmd[u][L+u]);  // force diagonal to be real
+    }
+    
+    // 5. wk:=wk−αkvk
+    for (int u=0; u<Nu; ++u) {
+      for (int k=L; k<R; ++k) {
+        w[u] = w[u] - evec[k]*lmd[u][k];
+      }
+      w_copy[u] = w[u];
+    }
+    
+    // In block version, the steps 6 and 7 in Lanczos construction is
+    // replaced by the QR decomposition of new basis block.
+    // It results block version beta and orthonormal block basis. 
+    // Here, QR decomposition is done by using Gram-Schmidt.
+    for (int u=0; u<Nu; ++u) {
+      for (int k=L; k<R; ++k) {
+        lme[u][k] = 0.0;
+      }
+    }
+
+#if 0
+    beta = normalize(w[0]);
+    for (int u=1; u<Nu; ++u) {
+      //orthogonalize(w[u],w_copy,u);
+      orthogonalize(w[u],w,u);
+    }
+#else
+    // re-orthogonalization for numerical stability
+    for (int u=0; u<Nu; ++u) {
+      orthogonalize(w[u],evec,R);
+    }
+    // QR part
+    for (int u=1; u<Nu; ++u) {
+      orthogonalize(w[u],w,u);
+    }
+#endif
+    
+    for (int u=0; u<Nu; ++u) {
+      //for (int v=0; v<Nu; ++v) {
+      for (int v=u; v<Nu; ++v) {
+        lme[u][L+v] = innerProduct(w[u],w_copy[v]);
+      }
+      lme[u][L+u] = real(lme[u][L+u]);  // force diagonal to be real
+    }
+    //lme[0][L] = beta;
+    
+    for (int u=0; u<Nu; ++u) {
+      Glog << "norm2(w[" << u << "])= "<< norm2(w[u]) << std::endl;
+      for (int k=L+u; k<R; ++k) {
+        Glog <<" In block "<< b << ","; 
+        std::cout <<" beta[" << u << "," << k-L << "] = ";
+        std::cout << lme[u][k] << std::endl;
+      }
+    }
+#if 0    
+    // re-orthogonalization for numerical stability
+    if (b>0) {
+      for (int u=0; u<Nu; ++u) {
+        orthogonalize(w[u],evec,R);
+      }
+      for (int u=1; u<Nu; ++u) {
+        orthogonalize(w[u],w,u);
+      }
+    }
+    //if (b>0) {
+    //  orthogonalize_blockhead(w[0],evec,b,Nu);
+    //  for (int u=1; u<Nu; ++u) {
+    //    orthogonalize(w[u],w,u);
+    //  }
+    //}
+#endif
+
+    if (b < Nm/Nu-1) {
+      for (int u=0; u<Nu; ++u) {
+        evec[R+u] = w[u];
+      }
+    }
+
+  }
+  
+    
+  void diagonalize_Eigen(std::vector<RealD>& eval, 
+                         std::vector<std::vector<ComplexD>>& lmd,
+                         std::vector<std::vector<ComplexD>>& lme, 
+			 int Nu, int Nk, int Nm,
+			 Eigen::MatrixXcd & Qt, // Nm x Nm
+			 GridBase *grid)
+  {
+    assert( Nk%Nu == 0 && Nm%Nu == 0 );
+    assert( Nk <= Nm );
+    Eigen::MatrixXcd BlockTriDiag = Eigen::MatrixXcd::Zero(Nk,Nk);
+    
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=0; k<Nk; ++k ) {
+        BlockTriDiag(k,u+(k/Nu)*Nu) = lmd[u][k];
+      }
+    }
+    
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=Nu; k<Nk; ++k ) {
+        BlockTriDiag(k-Nu,u+(k/Nu)*Nu) = conjugate(lme[u][k-Nu]);
+        BlockTriDiag(u+(k/Nu)*Nu,k-Nu) = lme[u][k-Nu];
+      }
+    }
+    //std::cout << BlockTriDiag << std::endl;
+    
+    Eigen::SelfAdjointEigenSolver<Eigen::MatrixXcd> eigensolver(BlockTriDiag);
+
+    for (int i = 0; i < Nk; i++) {
+      eval[Nk-1-i] = eigensolver.eigenvalues()(i);
+    }
+    for (int i = 0; i < Nk; i++) {
+      for (int j = 0; j < Nk; j++) {
+	Qt(j,Nk-1-i) = eigensolver.eigenvectors()(j,i);
+	//Qt(Nk-1-i,j) = eigensolver.eigenvectors()(i,j);
+	//Qt(i,j) = eigensolver.eigenvectors()(i,j);
+      }
+    }
+  }
+
+
+  void diagonalize(std::vector<RealD>& eval, 
+                   std::vector<std::vector<ComplexD>>& lmd, 
+                   std::vector<std::vector<ComplexD>>& lme, 
+		   int Nu, int Nk, int Nm,   
+		   Eigen::MatrixXcd & Qt,
+		   GridBase *grid)
+  {
+    Qt = Eigen::MatrixXcd::Identity(Nm,Nm);
+    if ( diagonalisation == IRLdiagonaliseWithEigen ) { 
+      diagonalize_Eigen(eval,lmd,lme,Nu,Nk,Nm,Qt,grid);
+    } else { 
+      assert(0);
+    }
+  }
+  
+
+  void unpackHermitBlockTriDiagMatToEigen(
+         std::vector<std::vector<ComplexD>>& lmd,  
+         std::vector<std::vector<ComplexD>>& lme,
+         int Nu, int Nb, int Nk, int Nm,
+         Eigen::MatrixXcd& M)
+  {
+    //Glog << "unpackHermitBlockTriDiagMatToEigen() begin" << '\n'; 
+    assert( Nk%Nu == 0 && Nm%Nu == 0 );
+    assert( Nk <= Nm );
+    M = Eigen::MatrixXcd::Zero(Nk,Nk);
+    
+    // rearrange 
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=0; k<Nk; ++k ) {
+        M(k,u+(k/Nu)*Nu) = lmd[u][k];
+      }
+    }
+
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=Nu; k<Nk; ++k ) {
+        M(k-Nu,u+(k/Nu)*Nu) = conjugate(lme[u][k-Nu]);
+        M(u+(k/Nu)*Nu,k-Nu) = lme[u][k-Nu];
+      }
+    }
+    //Glog << "unpackHermitBlockTriDiagMatToEigen() end" << endl; 
+  }
+ 
+
+  void packHermitBlockTriDiagMatfromEigen(
+         std::vector<std::vector<ComplexD>>& lmd,
+         std::vector<std::vector<ComplexD>>& lme,
+         int Nu, int Nb, int Nk, int Nm,
+         Eigen::MatrixXcd& M)
+  {
+    //Glog << "packHermitBlockTriDiagMatfromEigen() begin" << '\n'; 
+    assert( Nk%Nu == 0 && Nm%Nu == 0 );
+    assert( Nk <= Nm );
+    
+    // rearrange 
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=0; k<Nk; ++k ) {
+        lmd[u][k] = M(k,u+(k/Nu)*Nu);
+      }
+    }
+
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=Nu; k<Nk; ++k ) {
+        lme[u][k-Nu] = M(u+(k/Nu)*Nu,k-Nu);
+      }
+    }
+    //Glog << "packHermitBlockTriDiagMatfromEigen() end" << endl; 
+  }
+
+
+  // assume the input matrix M is a band matrix
+  void shiftedQRDecompEigen(Eigen::MatrixXcd& M, int Nu, int Nm,
+		            RealD Dsh,
+		            Eigen::MatrixXcd& Qprod)
+  {
+    //Glog << "shiftedQRDecompEigen() begin" << '\n'; 
+    Eigen::MatrixXcd Q = Eigen::MatrixXcd::Zero(Nm,Nm);
+    Eigen::MatrixXcd R = Eigen::MatrixXcd::Zero(Nm,Nm);
+    Eigen::MatrixXcd Mtmp = Eigen::MatrixXcd::Zero(Nm,Nm);
+    
+    Mtmp = M;
+    for (int i=0; i<Nm; ++i ) {
+      Mtmp(i,i) = M(i,i) - Dsh;
+    }
+    
+    Eigen::HouseholderQR<Eigen::MatrixXcd> QRD(Mtmp);
+    Q = QRD.householderQ();
+    R = QRD.matrixQR(); // upper triangular part is the R matrix.
+                        // lower triangular part used to represent series
+                        // of Q sequence.
+
+    // equivalent operation of Qprod *= Q
+    //M = Eigen::MatrixXcd::Zero(Nm,Nm);
+    
+    //for (int i=0; i<Nm; ++i) {
+    //  for (int j=0; j<Nm-2*(Nu+1); ++j) {
+    //    for (int k=0; k<2*(Nu+1)+j; ++k) {
+    //      M(i,j) += Qprod(i,k)*Q(k,j);
+    //    }
+    //  }
+    //}
+    //for (int i=0; i<Nm; ++i) {
+    //  for (int j=Nm-2*(Nu+1); j<Nm; ++j) {
+    //    for (int k=0; k<Nm; ++k) {
+    //      M(i,j) += Qprod(i,k)*Q(k,j);
+    //    }
+    //  }
+    //}
+    
+    Mtmp = Eigen::MatrixXcd::Zero(Nm,Nm);
+
+    for (int i=0; i<Nm; ++i) {
+      for (int j=0; j<Nm-(Nu+1); ++j) {
+        for (int k=0; k<Nu+1+j; ++k) {
+          Mtmp(i,j) += Qprod(i,k)*Q(k,j);
+        }
+      }
+    }
+    for (int i=0; i<Nm; ++i) {
+      for (int j=Nm-(Nu+1); j<Nm; ++j) {
+        for (int k=0; k<Nm; ++k) {
+          Mtmp(i,j) += Qprod(i,k)*Q(k,j);
+        }
+      }
+    }
+    
+    //static int ntimes = 2;
+    //for (int j=0; j<Nm-(ntimes*Nu); ++j) {
+    //  for (int i=ntimes*Nu+j; i<Nm; ++i) {
+    //    Mtmp(i,j) = 0.0;
+    //  }
+    //}
+    //ntimes++;
+
+    Qprod = Mtmp;
+     
+    // equivalent operation of M = Q.adjoint()*(M*Q)
+    Mtmp = Eigen::MatrixXcd::Zero(Nm,Nm);
+    
+    for (int a=0, i=0, kmax=0; a<Nu+1; ++a) {
+      for (int j=0; j<Nm-a; ++j) {
+        i = j+a;
+        kmax = (Nu+1)+j;
+        if (kmax > Nm) kmax = Nm;
+        for (int k=i; k<kmax; ++k) { 
+          Mtmp(i,j) += R(i,k)*Q(k,j);
+        }
+        Mtmp(j,i) = conj(Mtmp(i,j));
+      }
+    }
+
+    for (int i=0; i<Nm; ++i) {
+      Mtmp(i,i) = real(Mtmp(i,i)) + Dsh;
+    }
+    
+    M = Mtmp;
+
+    //M = Q.adjoint()*(M*Q);
+    //for (int i=0; i<Nm; ++i) {
+    //  for (int j=0; j<Nm; ++j) {
+    //    if (i==j) M(i,i) = real(M(i,i));
+    //    if (j>i)  M(i,j) = conj(M(j,i));
+    //    if (i-j > Nu || j-i > Nu) M(i,j) = 0.;
+    //  }
+    //}
+    
+    //Glog << "shiftedQRDecompEigen() end" << endl; 
+  }
+
+  void exampleQRDecompEigen(void)
+  {
+    Eigen::MatrixXd A = Eigen::MatrixXd::Zero(3,3);
+    Eigen::MatrixXd Q = Eigen::MatrixXd::Zero(3,3);
+    Eigen::MatrixXd R = Eigen::MatrixXd::Zero(3,3);
+    Eigen::MatrixXd P = Eigen::MatrixXd::Zero(3,3);
+
+    A(0,0) = 12.0;
+    A(0,1) = -51.0;
+    A(0,2) = 4.0;
+    A(1,0) = 6.0;
+    A(1,1) = 167.0;
+    A(1,2) = -68.0;
+    A(2,0) = -4.0;
+    A(2,1) = 24.0;
+    A(2,2) = -41.0;
+    
+    Glog << "matrix A before ColPivHouseholder" << std::endl;
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        Glog << "A[" << i << "," << j << "] = " << A(i,j) << '\n';
+      }
+    }
+    Glog << std::endl;
+
+    Eigen::ColPivHouseholderQR<Eigen::MatrixXd> QRD(A);
+    
+    Glog << "matrix A after ColPivHouseholder" << std::endl;
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        Glog << "A[" << i << "," << j << "] = " << A(i,j) << '\n';
+      }
+    }
+    Glog << std::endl;
+    
+    Glog << "HouseholderQ with sequence lenth = nonzeroPiviots" << std::endl;
+    Q = QRD.householderQ().setLength(QRD.nonzeroPivots());
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        Glog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n';
+      }
+    }
+    Glog << std::endl;
+    
+    Glog << "HouseholderQ with sequence lenth = 1" << std::endl;
+    Q = QRD.householderQ().setLength(1);
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        Glog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n';
+      }
+    }
+    Glog << std::endl;
+    
+    Glog << "HouseholderQ with sequence lenth = 2" << std::endl;
+    Q = QRD.householderQ().setLength(2);
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        Glog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n';
+      }
+    }
+    Glog << std::endl;
+    
+    Glog << "matrixR" << std::endl;
+    R = QRD.matrixR();
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        Glog << "R[" << i << "," << j << "] = " << R(i,j) << '\n';
+      }
+    }
+    Glog << std::endl;
+
+    Glog << "rank = " << QRD.rank() << std::endl;
+    Glog << "threshold = " << QRD.threshold() << std::endl;
+    
+    Glog << "matrixP" << std::endl;
+    P = QRD.colsPermutation();
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        Glog << "P[" << i << "," << j << "] = " << P(i,j) << '\n';
+      }
+    }
+    Glog << std::endl;
+
+
+    Glog << "QR decomposition without column pivoting" << std::endl;
+    
+    A(0,0) = 12.0;
+    A(0,1) = -51.0;
+    A(0,2) = 4.0;
+    A(1,0) = 6.0;
+    A(1,1) = 167.0;
+    A(1,2) = -68.0;
+    A(2,0) = -4.0;
+    A(2,1) = 24.0;
+    A(2,2) = -41.0;
+    
+    Glog << "matrix A before Householder" << std::endl;
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        Glog << "A[" << i << "," << j << "] = " << A(i,j) << '\n';
+      }
+    }
+    Glog << std::endl;
+    
+    Eigen::HouseholderQR<Eigen::MatrixXd> QRDplain(A);
+    
+    Glog << "HouseholderQ" << std::endl;
+    Q = QRDplain.householderQ();
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        Glog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n';
+      }
+    }
+    Glog << std::endl;
+    
+    Glog << "matrix A after Householder" << std::endl;
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        Glog << "A[" << i << "," << j << "] = " << A(i,j) << '\n';
+      }
+    }
+    Glog << std::endl;
+  }
+
+ };
+}
+#undef Glog
+#endif

lib/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h.bak

@@ -0,0 +1,835 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Chulwoo Jung
+Author: Yong-Chull Jang <ypj@quark.phy.bnl.gov> 
+Author: Guido Cossu
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef GRID_IRBL_H
+#define GRID_IRBL_H
+
+#include <string.h> //memset
+
+#define clog std::cout << GridLogMessage 
+
+namespace Grid {
+
+/////////////////////////////////////////////////////////////
+// Implicitly restarted block lanczos
+/////////////////////////////////////////////////////////////
+template<class Field> 
+class ImplicitlyRestartedBlockLanczos {
+
+private:       
+  
+  std::string cname = std::string("ImplicitlyRestartedBlockLanczos");
+  int MaxIter;   // Max iterations
+  int Nstop;     // Number of evecs checked for convergence
+  int Nu;        // Numbeer of vecs in the unit block
+  int Nk;        // Number of converged sought
+  int Nm;        // total number of vectors
+  int Nblock_k;    // Nk/Nu
+  int Nblock_m;    // Nm/Nu
+  RealD eresid;
+  IRLdiagonalisation diagonalisation;
+  ////////////////////////////////////
+  // Embedded objects
+  ////////////////////////////////////
+           SortEigen<Field> _sort;
+  LinearOperatorBase<Field> &_Linop;
+    OperatorFunction<Field> &_poly;
+
+  /////////////////////////
+  // Constructor
+  /////////////////////////
+public:       
+ ImplicitlyRestartedBlockLanczos(LinearOperatorBase<Field> &Linop, // op
+                                 OperatorFunction<Field> & poly,   // polynomial
+                                 int _Nstop, // really sought vecs
+                                 int _Nu,    // vecs in the unit block
+                                 int _Nk,    // sought vecs
+                                 int _Nm,    // total vecs
+                                 RealD _eresid, // resid in lmd deficit 
+                                 int _MaxIter,  // Max iterations
+                                 IRLdiagonalisation _diagonalisation = IRLdiagonaliseWithEigen)
+   : _Linop(Linop),    _poly(poly),
+      Nstop(_Nstop), Nu(_Nu), Nk(_Nk), Nm(_Nm), 
+      Nblock_m(_Nm/_Nu), Nblock_k(_Nk/_Nu),
+      //eresid(_eresid),  MaxIter(10),
+      eresid(_eresid),  MaxIter(_MaxIter),
+      diagonalisation(_diagonalisation)
+  { assert( (Nk%Nu==0) && (Nm%Nu==0) ); };
+
+  ////////////////////////////////
+  // Helpers
+  ////////////////////////////////
+  static RealD normalize(Field& v) 
+  {
+    RealD nn = norm2(v);
+    nn = sqrt(nn);
+    v = v * (1.0/nn);
+    return nn;
+  }
+  
+  void orthogonalize(Field& w, std::vector<Field>& evec, int k)
+  {
+    typedef typename Field::scalar_type MyComplex;
+    MyComplex ip;
+    
+    for(int j=0; j<k; ++j){
+      ip = innerProduct(evec[j],w); 
+      w = w - ip * evec[j];
+    }
+    normalize(w);
+  }
+
+/* Rudy Arthur's thesis pp.137
+------------------------
+Require: M > K P = M − K †
+Compute the factorization AVM = VM HM + fM eM 
+repeat
+  Q=I
+  for i = 1,...,P do
+    QiRi =HM −θiI Q = QQi
+    H M = Q †i H M Q i
+  end for
+  βK =HM(K+1,K) σK =Q(M,K)
+  r=vK+1βK +rσK
+  VK =VM(1:M)Q(1:M,1:K)
+  HK =HM(1:K,1:K)
+  →AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM
+until convergence
+*/
+  void calc(std::vector<RealD>& eval,  
+            std::vector<Field>& evec, 
+            const std::vector<Field>& src, int& Nconv)
+  {
+    std::string fname = std::string(cname+"::calc()"); 
+    GridBase *grid = evec[0]._grid;
+    assert(grid == src[0]._grid);
+    assert( Nu = src.size() );
+    
+    clog << std::string(74,'*') << std::endl;
+    clog << fname + " starting iteration 0 /  "<< MaxIter<< std::endl;
+    clog << std::string(74,'*') << std::endl;
+    clog <<" -- seek   Nk    = "<< Nk    <<" vectors"<< std::endl;
+    clog <<" -- accept Nstop = "<< Nstop <<" vectors"<< std::endl;
+    clog <<" -- total  Nm    = "<< Nm    <<" vectors"<< std::endl;
+    clog <<" -- size of eval = "<< eval.size() << std::endl;
+    clog <<" -- size of evec = "<< evec.size() << std::endl;
+    if ( diagonalisation == IRLdiagonaliseWithEigen ) { 
+      clog << "Diagonalisation is Eigen "<< std::endl;
+    } else {
+      abort();
+    }
+    clog << std::string(74,'*') << std::endl;
+    
+    assert(Nm == evec.size() && Nm == eval.size());
+	
+    std::vector<std::vector<ComplexD>> lmd(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<std::vector<ComplexD>> lme(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<std::vector<ComplexD>> lmd2(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<std::vector<ComplexD>> lme2(Nu,std::vector<ComplexD>(Nm,0.0));  
+    std::vector<RealD> eval2(Nm);
+
+    Eigen::MatrixXcd    Qt = Eigen::MatrixXcd::Zero(Nm,Nm);
+    Eigen::MatrixXcd    Q = Eigen::MatrixXcd::Zero(Nm,Nm);
+
+    std::vector<int>   Iconv(Nm);
+    std::vector<Field>  B(Nm,grid); // waste of space replicating
+    
+    std::vector<Field> f(Nu,grid);
+    std::vector<Field> f_copy(Nu,grid);
+    Field v(grid);
+    
+    Nconv = 0;
+    
+    RealD beta_k;
+  
+    // set initial vector
+    for (int i=0; i<Nu; ++i) {
+      clog << "norm2(src[" << i << "])= "<< norm2(src[i]) << std::endl;
+      evec[i] = src[i];
+      orthogonalize(evec[i],evec,i);
+      clog << "norm2(evec[" << i << "])= "<< norm2(evec[i]) << std::endl;
+    }
+    
+    // initial Nblock_k steps
+    for(int b=0; b<Nblock_k; ++b) blockwiseStep(lmd,lme,evec,f,f_copy,b);
+
+    // restarting loop begins
+    int iter;
+    for(iter = 0; iter<MaxIter; ++iter){
+      
+      clog <<" **********************"<< std::endl;
+      clog <<" Restart iteration = "<< iter << std::endl;
+      clog <<" **********************"<< std::endl;
+      
+      // additional (Nblock_m - Nblock_k) steps
+      for(int b=Nblock_k; b<Nblock_m; ++b) blockwiseStep(lmd,lme,evec,f,f_copy,b);
+      
+      for(int k=0; k<Nm; ++k) {
+        clog << "ckpt A1: lme[" << k << "] = " << lme[0][k] << '\n';
+      }
+      for(int k=0; k<Nm; ++k) {
+        clog << "ckpt A2: lmd[" << k << "] = " << lmd[0][k] << '\n';
+      }
+      
+      // residual vector
+#if 1 // ypj[fixme] temporary to check a case when block has one vector
+      for ( int i=0; i<Nu; ++i) f_copy[i] = f[i];
+      for ( int i=0; i<Nu; ++i) {
+        f[i] = f_copy[0]*lme[0][Nm-Nu+i]; 
+        for ( int j=1; j<Nu; ++j) { 
+          f[i] += f_copy[j]*lme[j][Nm-Nu+i]; 
+        }
+        //clog << "ckpt C (i= " << i << ")" << '\n';
+        //clog << "norm2(f) = " << norm2(f[i]) << std::endl;
+      }
+#endif
+      
+      // getting eigenvalues
+      for(int u=0; u<Nu; ++u){
+        for(int k=0; k<Nm; ++k){
+          lmd2[u][k] = lmd[u][k];
+          lme2[u][k] = lme[u][k];
+        }
+      }
+      Qt = Eigen::MatrixXcd::Identity(Nm,Nm);
+      diagonalize(eval2,lmd2,lme2,Nu,Nm,Nm,Qt,grid);
+      
+      //for(int k=0; k<Nm; ++k){
+      //  clog << "ckpt D " << '\n';
+      //  clog << "eval2 [" << k << "] = " << eval2[k] << std::endl;
+      //}
+
+      // sorting
+      _sort.push(eval2,Nm);
+      
+      //for(int k=0; k<Nm; ++k){
+      //  clog << "ckpt E " << '\n';
+      //  clog << "eval2 [" << k << "] = " << eval2[k] << std::endl;
+      //}
+
+      // Implicitly shifted QR transformations
+      Eigen::MatrixXcd BTDM = Eigen::MatrixXcd::Identity(Nm,Nm);
+      Q = Eigen::MatrixXcd::Identity(Nm,Nm);
+      
+      unpackHermitBlockTriDiagMatToEigen(lmd,lme,Nu,Nblock_m,Nm,Nm,BTDM);
+
+      for(int ip=Nk; ip<Nm; ++ip){ 
+        clog << "ckpt B1: shift[" << ip << "] = " << eval2[ip] << endl;
+        shiftedQRDecompEigen(BTDM,Nm,eval2[ip],Q);
+      }
+      BTDM = Q.adjoint()*(BTDM*Q);
+      for (int i=0; i<Nm; ++i ) {
+        for (int j=i+1; j<Nm; ++j ) {
+          BTDM(i,j) = BTDM(j,i);
+        }
+        //BTDM(i,i) = real(BTDM(i,i));
+      }
+      
+      packHermitBlockTriDiagMatfromEigen(lmd,lme,Nu,Nblock_m,Nm,Nm,BTDM);
+
+      //for (int i=0; i<Nm; ++i) {
+      //  for (int j=0; j<Nm; ++j) {
+      //    clog << "ckpt G1: M[" << i << "," << j << "] = " << BTDM(i,j) << '\n';
+      //  }
+      //}
+      //for (int i=0; i<Nm; ++i) {
+      //  for (int j=0; j<Nm; ++j) {
+      //    clog << "ckpt G2: Q[" << i << "," << j << "] = " << Q(i,j) << '\n';
+      //  }
+      //}
+      for (int i=0; i<Nm; ++i) {
+        clog << "ckpt C1: lme[" << i << "] = " << lme[0][i] << '\n';
+      }
+      for (int i=0; i<Nm; ++i) {
+        clog << "ckpt C2: lmd[" << i << "] = " << lmd[0][i] << '\n';
+      }
+
+      for(int i=0; i<Nk+Nu; ++i) B[i] = 0.0;
+      for(int j=0; j<Nk+Nu; ++j){
+	for(int k=0; k<Nm; ++k){
+	  B[j].checkerboard = evec[k].checkerboard;
+	  B[j] += evec[k]*Q(k,j);
+	}
+      }
+      for(int i=0; i<Nk+Nu; ++i) { 
+        evec[i] = B[i];
+        //clog << "ckpt F: norm2_evec[= " << i << "]" << norm2(evec[i]) << std::endl;
+      }
+
+#if 1 // ypj[fixme] temporary to check a case when block has one vector
+      // Compressed vector f and beta(k2)
+      f[0] *= Q(Nm-1,Nk-1);
+      f[0] += lme[0][Nk-1] * evec[Nk]; // was commented out
+      std::cout<< GridLogMessage<<"ckpt D1: Q[Nm-1,Nk-1] = "<<Q(Nm-1,Nk-1)<<std::endl;
+      beta_k = norm2(f[0]);
+      beta_k = sqrt(beta_k);
+      std::cout<< GridLogMessage<<"ckpt D2: beta(k) = "<<beta_k<<std::endl;
+      
+      RealD betar = 1.0/beta_k;
+      evec[Nk] = betar * f[0];
+      lme[0][Nk-1] = beta_k;
+#endif
+
+      // Convergence test
+      for(int u=0; u<Nu; ++u){
+        for(int k=0; k<Nm; ++k){
+          lmd2[u][k] = lmd[u][k];
+          lme2[u][k] = lme[u][k];
+        }
+      }
+      Qt = Eigen::MatrixXcd::Identity(Nm,Nm);
+      diagonalize(eval2,lmd2,lme2,Nu,Nk,Nm,Qt,grid);
+      
+      for(int k = 0; k<Nk; ++k) B[k]=0.0;
+      for(int j = 0; j<Nk; ++j){
+	for(int k = 0; k<Nk; ++k){
+	  B[j].checkerboard = evec[k].checkerboard;
+	  B[j] += evec[k]*Qt(k,j);
+	}
+      }
+      
+      //for (int i=0; i<Nk; ++i) {
+      //  for (int j=0; j<Nk; ++j) {
+      //    clog << "ckpt H1: R[" << i << "," << j << "] = " << Qt(i,j) << '\n';
+      //  }
+      //}
+      //for (int i=0; i<Nk; ++i) {
+      //  clog << "ckpt H2: eval2[" << i << "] = " << eval2[i] << '\n';
+      //}
+      
+      //for(int j=0; j<Nk; ++j) {
+      //  clog << "ckpt I: norm2_B[ " << j << "]" << norm2(B[j]) << std::endl;
+      //}
+
+      Nconv = 0;
+      for(int i=0; i<Nk; ++i){
+	
+	_Linop.HermOp(B[i],v);
+	    
+	RealD vnum = real(innerProduct(B[i],v)); // HermOp.
+	RealD vden = norm2(B[i]);
+	eval2[i] = vnum/vden;
+	v -= eval2[i]*B[i];
+	RealD vv = norm2(v);
+	
+	std::cout.precision(13);
+	clog << "[" << std::setw(3)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
+	std::cout << "eval = "<<std::setw(25)<< std::setiosflags(std::ios_base::left)<< eval2[i];
+	std::cout << " |H B[i] - eval[i]B[i]|^2 "<< std::setw(25)<< std::setiosflags(std::ios_base::right)<< vv<< std::endl;
+	
+	// change the criteria as evals are supposed to be sorted, all evals smaller(larger) than Nstop should have converged
+	if( (vv<eresid*eresid) && (i == Nconv) ){
+	//if( (vv<eresid*eresid) ){
+	  Iconv[Nconv] = i;
+	  ++Nconv;
+	}
+	
+      }  // i-loop end
+      
+      clog <<" #modes converged: "<<Nconv<<std::endl;
+
+      if( Nconv>=Nstop ){
+	goto converged;
+      }
+
+    } // end of iter loop
+    
+    clog <<"**************************************************************************"<< std::endl;
+    std::cout<< GridLogError    << fname + " NOT converged.";
+    clog <<"**************************************************************************"<< std::endl;
+    abort();
+	
+  converged:
+    // Sorting
+    eval.resize(Nconv);
+    evec.resize(Nconv,grid);
+    for(int i=0; i<Nconv; ++i){
+      eval[i] = eval2[Iconv[i]];
+      evec[i] = B[Iconv[i]];
+    }
+    _sort.push(eval,evec,Nconv);
+    
+    clog <<"**************************************************************************"<< std::endl;
+    clog << fname + " CONVERGED ; Summary :\n";
+    clog <<"**************************************************************************"<< std::endl;
+    clog << " -- Iterations  = "<< iter   << "\n";
+    clog << " -- beta(k)     = "<< beta_k << "\n";
+    clog << " -- Nconv       = "<< Nconv  << "\n";
+    clog <<"**************************************************************************"<< std::endl;
+  }
+
+private:
+/* Saad PP. 195
+1. Choose an initial vector v1 of 2-norm unity. Set β1 ≡ 0, v0 ≡ 0
+2. For k = 1,2,...,m Do:
+3. wk:=Avk−βkv_{k−1}      
+4. αk:=(wk,vk)       // 
+5. wk:=wk−αkvk       // wk orthog vk 
+6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
+7. vk+1 := wk/βk+1
+8. EndDo
+ */
+  void blockwiseStep(std::vector<std::vector<ComplexD>>& lmd,
+	             std::vector<std::vector<ComplexD>>& lme, 
+	             std::vector<Field>& evec,
+	             std::vector<Field>& w, 
+	             std::vector<Field>& w_copy, 
+                     int b)
+  {
+    const RealD tiny = 1.0e-20;
+    
+    int Nu = w.size();
+    int Nm = evec.size();
+    assert( b < Nm/Nu );
+    
+    // converts block index to full indicies for an interval [L,R)
+    int L = Nu*b;
+    int R = Nu*(b+1);
+
+    Real beta;
+    
+    // 3. wk:=Avk−βkv_{k−1}
+    for (int k=L, u=0; k<R; ++k, ++u) {
+      _poly(_Linop,evec[k],w[u]);      
+    }
+    
+    if (b>0) {
+      for (int u=0; u<Nu; ++u) {
+        for (int k=L-Nu; k<L; ++k) {
+          w[u] = w[u] - evec[k] * conjugate(lme[u][k]);
+          //clog << "ckpt A (k= " << k+1 << ")" << '\n';
+          //clog << "lme = " << lme[u][k] << '\n';
+          //clog << "lme = " << conjugate(lme[u][k]) << '\n';
+        }
+        //clog << "norm(w) = " << norm2(w[u]) << std::endl;
+      }
+    }
+    
+    // 4. αk:=(vk,wk)
+    for (int u=0; u<Nu; ++u) {
+      for (int k=L; k<R; ++k) {
+        lmd[u][k] = innerProduct(evec[k],w[u]);  // lmd = transpose of alpha
+      }
+      lmd[u][L+u] = real(lmd[u][L+u]);  // force diagonal to be real
+      //clog << "ckpt B (k= " << L+u << ")" << '\n';
+      //clog << "lmd = " << lmd[u][L+u] << std::endl;
+    }
+    
+    // 5. wk:=wk−αkvk
+    for (int u=0; u<Nu; ++u) {
+      for (int k=L; k<R; ++k) {
+        w[u] = w[u] - evec[k]*lmd[u][k];
+      }
+      w_copy[u] = w[u];
+    }
+    
+    // In block version, the steps 6 and 7 in Lanczos construction is
+    // replaced by the QR decomposition of new basis block.
+    // It results block version beta and orthonormal block basis. 
+    // Here, QR decomposition is done by using Gram-Schmidt
+    for (int u=0; u<Nu; ++u) {
+      for (int k=L; k<R; ++k) {
+        lme[u][k] = 0.0;
+      }
+    }
+
+    beta = normalize(w[0]);
+    for (int u=1; u<Nu; ++u) {
+      //orthogonalize(w[u],w_copy,u);
+      orthogonalize(w[u],w,u);
+    }
+    
+    for (int u=0; u<Nu; ++u) {
+      for (int v=0; v<Nu; ++v) {
+        lme[u][L+v] = innerProduct(w[u],w_copy[v]);
+      }
+    }
+    lme[0][L] = beta;
+    
+#if 0
+    for (int u=0; u<Nu; ++u) {
+      for (int k=L+u; k<R; ++k) {
+        if (lme[u][k] < tiny) {
+          clog <<" In block "<< b << ","; 
+          std::cout <<" beta[" << u << "," << k-L << "] = ";
+          std::cout << lme[u][k] << std::endl;
+        }
+      }
+    }
+#else
+    for (int u=0; u<Nu; ++u) {
+      clog << "norm2(w[" << u << "])= "<< norm2(w[u]) << std::endl;
+      for (int k=L+u; k<R; ++k) {
+        clog <<" In block "<< b << ","; 
+        std::cout <<" beta[" << u << "," << k-L << "] = ";
+        std::cout << lme[u][k] << std::endl;
+      }
+    }
+#endif
+    
+    // re-orthogonalization for numerical stability
+    if (b>0) {
+      for (int u=0; u<Nu; ++u) {
+        orthogonalize(w[u],evec,R);
+      }
+    }
+
+    if (b < Nm/Nu-1) {
+      for (int u=0; u<Nu; ++u) {
+        evec[R+u] = w[u];
+      }
+    }
+
+  }
+  
+
+  void diagonalize_Eigen(std::vector<RealD>& eval, 
+                         std::vector<std::vector<ComplexD>>& lmd,
+                         std::vector<std::vector<ComplexD>>& lme, 
+			 int Nu, int Nk, int Nm,
+			 Eigen::MatrixXcd & Qt, // Nm x Nm
+			 GridBase *grid)
+  {
+    assert( Nk%Nu == 0 && Nm%Nu == 0 );
+    assert( Nk <= Nm );
+    Eigen::MatrixXcd BlockTriDiag = Eigen::MatrixXcd::Zero(Nk,Nk);
+    
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=0; k<Nk; ++k ) {
+        BlockTriDiag(k,u+(k/Nu)*Nu) = lmd[u][k];
+      }
+    }
+    
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=Nu; k<Nk; ++k ) {
+        BlockTriDiag(k-Nu,u+(k/Nu)*Nu) = conjugate(lme[u][k-Nu]);
+        BlockTriDiag(u+(k/Nu)*Nu,k-Nu) = lme[u][k-Nu];
+      }
+    }
+    //std::cout << BlockTriDiag << std::endl;
+    
+    Eigen::SelfAdjointEigenSolver<Eigen::MatrixXcd> eigensolver(BlockTriDiag);
+
+    for (int i = 0; i < Nk; i++) {
+      eval[Nk-1-i] = eigensolver.eigenvalues()(i);
+    }
+    for (int i = 0; i < Nk; i++) {
+      for (int j = 0; j < Nk; j++) {
+	Qt(j,Nk-1-i) = eigensolver.eigenvectors()(j,i);
+	//Qt(Nk-1-i,j) = eigensolver.eigenvectors()(i,j);
+	//Qt(i,j) = eigensolver.eigenvectors()(i,j);
+      }
+    }
+  }
+
+
+  void diagonalize(std::vector<RealD>& eval, 
+                   std::vector<std::vector<ComplexD>>& lmd, 
+                   std::vector<std::vector<ComplexD>>& lme, 
+		   int Nu, int Nk, int Nm,   
+		   Eigen::MatrixXcd & Qt,
+		   GridBase *grid)
+  {
+    Qt = Eigen::MatrixXcd::Identity(Nm,Nm);
+    if ( diagonalisation == IRLdiagonaliseWithEigen ) { 
+      diagonalize_Eigen(eval,lmd,lme,Nu,Nk,Nm,Qt,grid);
+    } else { 
+      assert(0);
+    }
+  }
+  
+
+  void unpackHermitBlockTriDiagMatToEigen(
+         std::vector<std::vector<ComplexD>>& lmd,  
+         std::vector<std::vector<ComplexD>>& lme,
+         int Nu, int Nb, int Nk, int Nm,
+         Eigen::MatrixXcd& M)
+  {
+    //clog << "unpackHermitBlockTriDiagMatToEigen() begin" << '\n'; 
+    assert( Nk%Nu == 0 && Nm%Nu == 0 );
+    assert( Nk <= Nm );
+    M = Eigen::MatrixXcd::Zero(Nk,Nk);
+    
+    // rearrange 
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=0; k<Nk; ++k ) {
+        M(k,u+(k/Nu)*Nu) = lmd[u][k];
+      }
+    }
+
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=Nu; k<Nk; ++k ) {
+        M(k-Nu,u+(k/Nu)*Nu) = conjugate(lme[u][k-Nu]);
+        M(u+(k/Nu)*Nu,k-Nu) = lme[u][k-Nu];
+      }
+    }
+    //clog << "unpackHermitBlockTriDiagMatToEigen() end" << endl; 
+  }
+ 
+
+  void packHermitBlockTriDiagMatfromEigen(
+         std::vector<std::vector<ComplexD>>& lmd,
+         std::vector<std::vector<ComplexD>>& lme,
+         int Nu, int Nb, int Nk, int Nm,
+         Eigen::MatrixXcd& M)
+  {
+    //clog << "packHermitBlockTriDiagMatfromEigen() begin" << '\n'; 
+    assert( Nk%Nu == 0 && Nm%Nu == 0 );
+    assert( Nk <= Nm );
+    
+    // rearrange 
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=0; k<Nk; ++k ) {
+        lmd[u][k] = M(k,u+(k/Nu)*Nu);
+      }
+    }
+
+    for ( int u=0; u<Nu; ++u ) {
+      for (int k=Nu; k<Nk; ++k ) {
+        lme[u][k-Nu] = M(u+(k/Nu)*Nu,k-Nu);
+      }
+    }
+    //clog << "packHermitBlockTriDiagMatfromEigen() end" << endl; 
+  }
+
+
+//  void shiftedQRDecompEigen(Eigen::MatrixXcd& M, int Nm,
+//		            RealD Dsh,
+//		            Eigen::MatrixXcd& Qprod, int Nk)
+//  {
+//    //clog << "shiftedQRDecompEigen() begin" << '\n'; 
+//    Eigen::MatrixXcd Mtmp = Eigen::MatrixXcd::Zero(Nm,Nm);
+//    Eigen::MatrixXcd Q = Eigen::MatrixXcd::Zero(Nm,Nm);
+//     
+//    Mtmp = M;
+//    for (int i=0; i<Nm; ++i ) {
+//      Mtmp(i,i) = M(i,i) - Dsh;
+//    }
+//    
+//    Eigen::HouseholderQR<Eigen::MatrixXcd> QRD(Mtmp);
+//    Q = QRD.householderQ();
+//
+//    M = Q.adjoint()*(M*Q);
+//#if 0
+//    Qprod *= Q;
+//#else
+//    Mtmp = Qprod*Q;
+//    
+//    Eigen::HouseholderQR<Eigen::MatrixXcd> QRD2(Mtmp);
+//    Qprod = QRD2.householderQ();
+//
+//    Mtmp -= Qprod;
+//    clog << "Frobenius norm ||Qprod(after) - Qprod|| = " << Mtmp.norm() << std::endl;
+//#endif
+//    //clog << "shiftedQRDecompEigen() end" << endl; 
+//  }
+  void shiftedQRDecompEigen(Eigen::MatrixXcd& M, int Nm,
+		            RealD Dsh,
+		            Eigen::MatrixXcd& Qprod)
+  {
+    //clog << "shiftedQRDecompEigen() begin" << '\n'; 
+    Eigen::MatrixXcd Mtmp = Eigen::MatrixXcd::Zero(Nm,Nm);
+    //Eigen::MatrixXcd Qtmp = Eigen::MatrixXcd::Zero(Nm,Nm);
+    
+    Mtmp = Qprod.adjoint()*(M*Qprod);
+    for (int i=0; i<Nm; ++i ) {
+      for (int j=i+1; j<Nm; ++j ) {
+        Mtmp(i,j) = Mtmp(j,i);
+      }
+    }
+    
+    for (int i=0; i<Nm; ++i ) {
+      Mtmp(i,i) -= Dsh;
+      //Mtmp(i,i) = real(Mtmp(i,i)-Dsh);
+    }
+    
+    Eigen::HouseholderQR<Eigen::MatrixXcd> QRD(Mtmp);
+    //Qtmp = Qprod*QRD.householderQ();
+    
+    //Eigen::HouseholderQR<Eigen::MatrixXcd> QRD2(Qtmp);
+    //Qprod = QRD2.householderQ();
+
+    Qprod *= QRD.householderQ();
+    //ComplexD p;
+    //RealD r;
+
+    //r = 0.;
+    //for (int k=0; k<Nm; ++k) r += real(conj(Qprod(k,0))*Qprod(k,0));
+    //r = sqrt(r);
+    //for (int k=0; k<Nm; ++k) Qprod(k,0) /= r;
+    //
+    //for (int i=1; i<Nm; ++i) {
+    //  for (int j=0; j<i; ++j) {
+    //    p = 0.;
+    //    for (int k=0; k<Nm; ++k) {
+    //      p += conj(Qprod(k,j))*Qprod(k,i);
+    //    }
+    //    for (int k=0; k<Nm; ++k) {
+    //      Qprod(k,i) -= p*Qprod(k,j);
+    //    }
+    //  }
+    //  r = 0.;
+    //  for (int k=0; k<Nm; ++k) r += real(conj(Qprod(k,i))*Qprod(k,i));
+    //  r = sqrt(r);
+    //  for (int k=0; k<Nm; ++k) Qprod(k,i) /= r;
+    //}
+
+    //clog << "shiftedQRDecompEigen() end" << endl; 
+  }
+  
+
+  void exampleQRDecompEigen(void)
+  {
+    Eigen::MatrixXd A = Eigen::MatrixXd::Zero(3,3);
+    Eigen::MatrixXd Q = Eigen::MatrixXd::Zero(3,3);
+    Eigen::MatrixXd R = Eigen::MatrixXd::Zero(3,3);
+    Eigen::MatrixXd P = Eigen::MatrixXd::Zero(3,3);
+
+    A(0,0) = 12.0;
+    A(0,1) = -51.0;
+    A(0,2) = 4.0;
+    A(1,0) = 6.0;
+    A(1,1) = 167.0;
+    A(1,2) = -68.0;
+    A(2,0) = -4.0;
+    A(2,1) = 24.0;
+    A(2,2) = -41.0;
+    
+    clog << "matrix A before ColPivHouseholder" << std::endl;
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        clog << "A[" << i << "," << j << "] = " << A(i,j) << '\n';
+      }
+    }
+    clog << std::endl;
+
+    Eigen::ColPivHouseholderQR<Eigen::MatrixXd> QRD(A);
+    
+    clog << "matrix A after ColPivHouseholder" << std::endl;
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        clog << "A[" << i << "," << j << "] = " << A(i,j) << '\n';
+      }
+    }
+    clog << std::endl;
+    
+    clog << "HouseholderQ with sequence lenth = nonzeroPiviots" << std::endl;
+    Q = QRD.householderQ().setLength(QRD.nonzeroPivots());
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        clog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n';
+      }
+    }
+    clog << std::endl;
+    
+    clog << "HouseholderQ with sequence lenth = 1" << std::endl;
+    Q = QRD.householderQ().setLength(1);
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        clog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n';
+      }
+    }
+    clog << std::endl;
+    
+    clog << "HouseholderQ with sequence lenth = 2" << std::endl;
+    Q = QRD.householderQ().setLength(2);
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        clog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n';
+      }
+    }
+    clog << std::endl;
+    
+    clog << "matrixR" << std::endl;
+    R = QRD.matrixR();
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        clog << "R[" << i << "," << j << "] = " << R(i,j) << '\n';
+      }
+    }
+    clog << std::endl;
+
+    clog << "rank = " << QRD.rank() << std::endl;
+    clog << "threshold = " << QRD.threshold() << std::endl;
+    
+    clog << "matrixP" << std::endl;
+    P = QRD.colsPermutation();
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        clog << "P[" << i << "," << j << "] = " << P(i,j) << '\n';
+      }
+    }
+    clog << std::endl;
+
+
+    clog << "QR decomposition without column pivoting" << std::endl;
+    
+    A(0,0) = 12.0;
+    A(0,1) = -51.0;
+    A(0,2) = 4.0;
+    A(1,0) = 6.0;
+    A(1,1) = 167.0;
+    A(1,2) = -68.0;
+    A(2,0) = -4.0;
+    A(2,1) = 24.0;
+    A(2,2) = -41.0;
+    
+    clog << "matrix A before Householder" << std::endl;
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        clog << "A[" << i << "," << j << "] = " << A(i,j) << '\n';
+      }
+    }
+    clog << std::endl;
+    
+    Eigen::HouseholderQR<Eigen::MatrixXd> QRDplain(A);
+    
+    clog << "HouseholderQ" << std::endl;
+    Q = QRDplain.householderQ();
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        clog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n';
+      }
+    }
+    clog << std::endl;
+    
+    clog << "matrix A after Householder" << std::endl;
+    for ( int i=0; i<3; i++ ) {
+      for ( int j=0; j<3; j++ ) {
+        clog << "A[" << i << "," << j << "] = " << A(i,j) << '\n';
+      }
+    }
+    clog << std::endl;
+  }
+
+ };
+}
+#undef clog
+#endif

lib/algorithms/iterative/ImplicitlyRestartedLanczos.h

@@ -57,8 +57,9 @@ void basisRotate(std::vector<Field> &basis,Eigen::MatrixXd& Qt,int j0, int j1, i
       
   parallel_region
   {
-    std::vector < vobj > B(Nm); // Thread private
-        
+
+    std::vector < vobj , commAllocator<vobj> > B(Nm); // Thread private
+       
     parallel_for_internal(int ss=0;ss < grid->oSites();ss++){
       for(int j=j0; j<j1; ++j) B[j]=0.;
       
@@ -149,19 +150,6 @@ void basisSortInPlace(std::vector<Field> & _v,std::vector<RealD>& sort_vals, boo
   basisReorderInPlace(_v,sort_vals,idx);
 }
 
-// PAB: faster to compute the inner products first then fuse loops.
-// If performance critical can improve.
-template<class Field>
-void basisDeflate(const std::vector<Field> &_v,const std::vector<RealD>& eval,const Field& src_orig,Field& result) {
-  result = zero;
-  assert(_v.size()==eval.size());
-  int N = (int)_v.size();
-  for (int i=0;i<N;i++) {
-    Field& tmp = _v[i];
-    axpy(result,TensorRemove(innerProduct(tmp,src_orig)) / eval[i],tmp,result);
-  }
-}
-
 /////////////////////////////////////////////////////////////
 // Implicitly restarted lanczos
 /////////////////////////////////////////////////////////////
@@ -181,6 +169,7 @@ enum IRLdiagonalisation {
 template<class Field> class ImplicitlyRestartedLanczosHermOpTester  : public ImplicitlyRestartedLanczosTester<Field>
 {
  public:
+
   LinearFunction<Field>       &_HermOp;
   ImplicitlyRestartedLanczosHermOpTester(LinearFunction<Field> &HermOp) : _HermOp(HermOp)  {  };
   int ReconstructEval(int j,RealD resid,Field &B, RealD &eval,RealD evalMaxApprox)
@@ -243,6 +232,7 @@ class ImplicitlyRestartedLanczos {
   /////////////////////////
   
 public:       
+
   //////////////////////////////////////////////////////////////////
   // PAB:
   //////////////////////////////////////////////////////////////////
@@ -490,15 +480,13 @@ until convergence
 	Field B(grid); B.checkerboard = evec[0].checkerboard;
 
 	//  power of two search pattern;  not every evalue in eval2 is assessed.
+	int allconv =1;
 	for(int jj = 1; jj<=Nstop; jj*=2){
 	  int j = Nstop-jj;
 	  RealD e = eval2_copy[j]; // Discard the evalue
 	  basisRotateJ(B,evec,Qt,j,0,Nk,Nm);	    
-	  if( _Tester.TestConvergence(j,eresid,B,e,evalMaxApprox) ) {
-	    if ( j > Nconv ) {
-	      Nconv=j+1;
-	      jj=Nstop; // Terminate the scan
-	    }
+	  if( !_Tester.TestConvergence(j,eresid,B,e,evalMaxApprox) ) {
+	    allconv=0;
 	  }
 	}
 	// Do evec[0] for good measure
@@ -506,8 +494,10 @@ until convergence
 	  int j=0;
 	  RealD e = eval2_copy[0]; 
 	  basisRotateJ(B,evec,Qt,j,0,Nk,Nm);	    
-	  _Tester.TestConvergence(j,eresid,B,e,evalMaxApprox);
+	  if( !_Tester.TestConvergence(j,eresid,B,e,evalMaxApprox) ) allconv=0;
 	}
+	if ( allconv ) Nconv = Nstop;
+
 	// test if we converged, if so, terminate
 	std::cout<<GridLogIRL<<" #modes converged: >= "<<Nconv<<"/"<<Nstop<<std::endl;
 	//	if( Nconv>=Nstop || beta_k < betastp){

lib/algorithms/iterative/ImplicitlyRestartedLanczos.h.bak

@@ -0,0 +1,625 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Chulwoo Jung
+Author: Guido Cossu
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef GRID_IRL_H
+#define GRID_IRL_H
+
+#include <string.h> //memset
+
+namespace Grid {
+
+  enum IRLdiagonalisation { 
+    IRLdiagonaliseWithDSTEGR,
+    IRLdiagonaliseWithQR,
+    IRLdiagonaliseWithEigen
+  };
+
+////////////////////////////////////////////////////////////////////////////////
+// Helper class for sorting the evalues AND evectors by Field
+// Use pointer swizzle on vectors
+////////////////////////////////////////////////////////////////////////////////
+template<class Field>
+class SortEigen {
+ private:
+  static bool less_lmd(RealD left,RealD right){
+    return left > right;
+  }  
+  static bool less_pair(std::pair<RealD,Field const*>& left,
+                        std::pair<RealD,Field const*>& right){
+    return left.first > (right.first);
+  }  
+  
+ public:
+  void push(std::vector<RealD>& lmd,std::vector<Field>& evec,int N) {
+    
+    ////////////////////////////////////////////////////////////////////////
+    // PAB: FIXME: VERY VERY VERY wasteful: takes a copy of the entire vector set.
+    //    : The vector reorder should be done by pointer swizzle somehow
+    ////////////////////////////////////////////////////////////////////////
+    std::vector<Field> cpy(lmd.size(),evec[0]._grid);
+    for(int i=0;i<lmd.size();i++) cpy[i] = evec[i];
+    
+    std::vector<std::pair<RealD, Field const*> > emod(lmd.size());    
+
+    for(int i=0;i<lmd.size();++i)  emod[i] = std::pair<RealD,Field const*>(lmd[i],&cpy[i]);
+
+    partial_sort(emod.begin(),emod.begin()+N,emod.end(),less_pair);
+
+    typename std::vector<std::pair<RealD, Field const*> >::iterator it = emod.begin();
+    for(int i=0;i<N;++i){
+      lmd[i]=it->first;
+      evec[i]=*(it->second);
+      ++it;
+    }
+  }
+  void push(std::vector<RealD>& lmd,int N) {
+    std::partial_sort(lmd.begin(),lmd.begin()+N,lmd.end(),less_lmd);
+  }
+  bool saturated(RealD lmd, RealD thrs) {
+    return fabs(lmd) > fabs(thrs);
+  }
+};
+
+/////////////////////////////////////////////////////////////
+// Implicitly restarted lanczos
+/////////////////////////////////////////////////////////////
+template<class Field> 
+class ImplicitlyRestartedLanczos {
+
+private:       
+
+  int MaxIter;   // Max iterations
+  int Nstop;     // Number of evecs checked for convergence
+  int Nk;        // Number of converged sought
+  int Nm;        // Nm -- total number of vectors
+  RealD eresid;
+  IRLdiagonalisation diagonalisation;
+  ////////////////////////////////////
+  // Embedded objects
+  ////////////////////////////////////
+           SortEigen<Field> _sort;
+  LinearOperatorBase<Field> &_Linop;
+    OperatorFunction<Field> &_poly;
+
+  /////////////////////////
+  // Constructor
+  /////////////////////////
+public:       
+ ImplicitlyRestartedLanczos(LinearOperatorBase<Field> &Linop, // op
+			    OperatorFunction<Field> & poly,   // polynomial
+			    int _Nstop, // really sought vecs
+			    int _Nk,    // sought vecs
+			    int _Nm,    // total vecs
+			    RealD _eresid, // resid in lmd deficit 
+			    int _MaxIter,  // Max iterations
+			    IRLdiagonalisation _diagonalisation= IRLdiagonaliseWithEigen ) :
+    _Linop(Linop),    _poly(poly),
+      Nstop(_Nstop), Nk(_Nk), Nm(_Nm),
+      eresid(_eresid),  MaxIter(_MaxIter),
+      diagonalisation(_diagonalisation)
+      { };
+
+  ////////////////////////////////
+  // Helpers
+  ////////////////////////////////
+  static RealD normalise(Field& v) 
+  {
+    RealD nn = norm2(v);
+    nn = sqrt(nn);
+    v = v * (1.0/nn);
+    return nn;
+  }
+  
+  void orthogonalize(Field& w, std::vector<Field>& evec, int k)
+  {
+    typedef typename Field::scalar_type MyComplex;
+    MyComplex ip;
+    
+    for(int j=0; j<k; ++j){
+      ip = innerProduct(evec[j],w); 
+      w = w - ip * evec[j];
+    }
+    normalise(w);
+  }
+
+/* Rudy Arthur's thesis pp.137
+------------------------
+Require: M > K P = M − K †
+Compute the factorization AVM = VM HM + fM eM 
+repeat
+  Q=I
+  for i = 1,...,P do
+    QiRi =HM −θiI Q = QQi
+    H M = Q †i H M Q i
+  end for
+  βK =HM(K+1,K) σK =Q(M,K)
+  r=vK+1βK +rσK
+  VK =VM(1:M)Q(1:M,1:K)
+  HK =HM(1:K,1:K)
+  →AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM
+until convergence
+*/
+  void calc(std::vector<RealD>& eval,  std::vector<Field>& evec, const Field& src, int& Nconv)
+  {
+    
+    GridBase *grid = evec[0]._grid;
+    assert(grid == src._grid);
+    
+    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogMessage <<" ImplicitlyRestartedLanczos::calc() starting iteration 0 /  "<< MaxIter<< std::endl;
+    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogMessage <<" -- seek   Nk    = " << Nk    <<" vectors"<< std::endl;
+    std::cout << GridLogMessage <<" -- accept Nstop = " << Nstop <<" vectors"<< std::endl;
+    std::cout << GridLogMessage <<" -- total  Nm    = " << Nm    <<" vectors"<< std::endl;
+    std::cout << GridLogMessage <<" -- size of eval = " << eval.size() << std::endl;
+    std::cout << GridLogMessage <<" -- size of evec = " << evec.size() << std::endl;
+    if ( diagonalisation == IRLdiagonaliseWithDSTEGR ) {
+      std::cout << GridLogMessage << "Diagonalisation is DSTEGR "<<std::endl;
+    } else if ( diagonalisation == IRLdiagonaliseWithQR ) { 
+      std::cout << GridLogMessage << "Diagonalisation is QR "<<std::endl;
+    }  else if ( diagonalisation == IRLdiagonaliseWithEigen ) { 
+      std::cout << GridLogMessage << "Diagonalisation is Eigen "<<std::endl;
+    }
+    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
+    
+    assert(Nm == evec.size() && Nm == eval.size());
+	
+    std::vector<RealD> lme(Nm);  
+    std::vector<RealD> lme2(Nm);
+    std::vector<RealD> eval2(Nm);
+
+    Eigen::MatrixXd    Qt = Eigen::MatrixXd::Zero(Nm,Nm);
+
+    std::vector<int>   Iconv(Nm);
+    std::vector<Field>  B(Nm,grid); // waste of space replicating
+    
+    Field f(grid);
+    Field v(grid);
+    
+    int k1 = 1;
+    int k2 = Nk;
+    
+    Nconv = 0;
+    
+    RealD beta_k;
+  
+    // Set initial vector
+    evec[0] = src;
+    std::cout << GridLogMessage <<"norm2(src)= " << norm2(src)<<std::endl;
+    
+    normalise(evec[0]);
+    std::cout << GridLogMessage <<"norm2(evec[0])= " << norm2(evec[0]) <<std::endl;
+    
+    // Initial Nk steps
+    for(int k=0; k<Nk; ++k) step(eval,lme,evec,f,Nm,k);
+    
+    // Restarting loop begins
+    int iter;
+    for(iter = 0; iter<MaxIter; ++iter){
+      
+      std::cout<< GridLogMessage <<" **********************"<< std::endl;
+      std::cout<< GridLogMessage <<" Restart iteration = "<< iter << std::endl;
+      std::cout<< GridLogMessage <<" **********************"<< std::endl;
+      
+      for(int k=Nk; k<Nm; ++k) step(eval,lme,evec,f,Nm,k);
+      
+      f *= lme[Nm-1];
+      
+      // getting eigenvalues
+      for(int k=0; k<Nm; ++k){
+	eval2[k] = eval[k+k1-1];
+	lme2[k] = lme[k+k1-1];
+      }
+      Qt = Eigen::MatrixXd::Identity(Nm,Nm);
+      diagonalize(eval2,lme2,Nm,Nm,Qt,grid);
+
+      // sorting
+      _sort.push(eval2,Nm);
+      
+      // Implicitly shifted QR transformations
+      Qt = Eigen::MatrixXd::Identity(Nm,Nm);
+      for(int ip=k2; ip<Nm; ++ip){ 
+	// Eigen replacement for qr_decomp ???
+	qr_decomp(eval,lme,Nm,Nm,Qt,eval2[ip],k1,Nm);
+      }
+    
+      for(int i=0; i<(Nk+1); ++i) B[i] = 0.0;
+	  
+      for(int j=k1-1; j<k2+1; ++j){
+	for(int k=0; k<Nm; ++k){
+	  B[j].checkerboard = evec[k].checkerboard;
+	  B[j] += Qt(j,k) * evec[k];
+	}
+      }
+      for(int j=k1-1; j<k2+1; ++j) evec[j] = B[j];
+      
+      // Compressed vector f and beta(k2)
+      f *= Qt(k2-1,Nm-1);
+      f += lme[k2-1] * evec[k2];
+      beta_k = norm2(f);
+      beta_k = sqrt(beta_k);
+      std::cout<< GridLogMessage<<" beta(k) = "<<beta_k<<std::endl;
+      
+      RealD betar = 1.0/beta_k;
+      evec[k2] = betar * f;
+      lme[k2-1] = beta_k;
+      
+      // Convergence test
+      for(int k=0; k<Nm; ++k){    
+	eval2[k] = eval[k];
+	lme2[k] = lme[k];
+      }
+      Qt = Eigen::MatrixXd::Identity(Nm,Nm);
+      diagonalize(eval2,lme2,Nk,Nm,Qt,grid);
+      
+      for(int k = 0; k<Nk; ++k) B[k]=0.0;
+      
+      for(int j = 0; j<Nk; ++j){
+	for(int k = 0; k<Nk; ++k){
+	  B[j].checkerboard = evec[k].checkerboard;
+	  B[j] += Qt(j,k) * evec[k];
+	}
+      }
+
+      Nconv = 0;
+      for(int i=0; i<Nk; ++i){
+	
+	_Linop.HermOp(B[i],v);
+	    
+	RealD vnum = real(innerProduct(B[i],v)); // HermOp.
+	RealD vden = norm2(B[i]);
+	eval2[i] = vnum/vden;
+	v -= eval2[i]*B[i];
+	RealD vv = norm2(v);
+	
+	std::cout.precision(13);
+	std::cout << GridLogMessage << "[" << std::setw(3)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
+	std::cout << "eval = "<<std::setw(25)<< std::setiosflags(std::ios_base::left)<< eval2[i];
+	std::cout << " |H B[i] - eval[i]B[i]|^2 "<< std::setw(25)<< std::setiosflags(std::ios_base::right)<< vv<< std::endl;
+	
+	// change the criteria as evals are supposed to be sorted, all evals smaller(larger) than Nstop should have converged
+	if((vv<eresid*eresid) && (i == Nconv) ){
+	  Iconv[Nconv] = i;
+	  ++Nconv;
+	}
+	
+      }  // i-loop end
+      
+      std::cout<< GridLogMessage <<" #modes converged: "<<Nconv<<std::endl;
+
+      if( Nconv>=Nstop ){
+	goto converged;
+      }
+    } // end of iter loop
+    
+    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
+    std::cout<< GridLogError    <<" ImplicitlyRestartedLanczos::calc() NOT converged.";
+    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
+    abort();
+	
+  converged:
+    // Sorting
+    eval.resize(Nconv);
+    evec.resize(Nconv,grid);
+    for(int i=0; i<Nconv; ++i){
+      eval[i] = eval2[Iconv[i]];
+      evec[i] = B[Iconv[i]];
+    }
+    _sort.push(eval,evec,Nconv);
+    
+    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogMessage << "ImplicitlyRestartedLanczos CONVERGED ; Summary :\n";
+    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogMessage << " -- Iterations  = "<< iter   << "\n";
+    std::cout << GridLogMessage << " -- beta(k)     = "<< beta_k << "\n";
+    std::cout << GridLogMessage << " -- Nconv       = "<< Nconv  << "\n";
+    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
+  }
+
+private:
+/* Saad PP. 195
+1. Choose an initial vector v1 of 2-norm unity. Set β1 ≡ 0, v0 ≡ 0
+2. For k = 1,2,...,m Do:
+3. wk:=Avk−βkv_{k−1}      
+4. αk:=(wk,vk)       // 
+5. wk:=wk−αkvk       // wk orthog vk 
+6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
+7. vk+1 := wk/βk+1
+8. EndDo
+ */
+  void step(std::vector<RealD>& lmd,
+	    std::vector<RealD>& lme, 
+	    std::vector<Field>& evec,
+	    Field& w,int Nm,int k)
+  {
+    const RealD tiny = 1.0e-20;
+    assert( k< Nm );
+    
+    _poly(_Linop,evec[k],w);      // 3. wk:=Avk−βkv_{k−1}
+    
+    if(k>0) w -= lme[k-1] * evec[k-1];
+    
+    ComplexD zalph = innerProduct(evec[k],w); // 4. αk:=(wk,vk)
+    RealD     alph = real(zalph);
+    
+    w = w - alph * evec[k];// 5. wk:=wk−αkvk
+    
+    RealD beta = normalise(w); // 6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
+    // 7. vk+1 := wk/βk+1
+    
+    lmd[k] = alph;
+    lme[k] = beta;
+    
+    if ( k > 0 ) orthogonalize(w,evec,k); // orthonormalise
+    if ( k < Nm-1) evec[k+1] = w;
+    
+    if ( beta < tiny ) std::cout << GridLogMessage << " beta is tiny "<<beta<<std::endl;
+  }
+      
+  void diagonalize_Eigen(std::vector<RealD>& lmd, std::vector<RealD>& lme, 
+			 int Nk, int Nm,  
+			 Eigen::MatrixXd & Qt, // Nm x Nm
+			 GridBase *grid)
+  {
+    Eigen::MatrixXd TriDiag = Eigen::MatrixXd::Zero(Nk,Nk);
+
+    for(int i=0;i<Nk;i++)   TriDiag(i,i)   = lmd[i];
+    for(int i=0;i<Nk-1;i++) TriDiag(i,i+1) = lme[i];
+    for(int i=0;i<Nk-1;i++) TriDiag(i+1,i) = lme[i];
+    
+    Eigen::SelfAdjointEigenSolver<Eigen::MatrixXd> eigensolver(TriDiag);
+
+    for (int i = 0; i < Nk; i++) {
+      lmd[Nk-1-i] = eigensolver.eigenvalues()(i);
+    }
+    for (int i = 0; i < Nk; i++) {
+      for (int j = 0; j < Nk; j++) {
+	Qt(Nk-1-i,j) = eigensolver.eigenvectors()(j,i);
+      }
+    }
+  }
+  ///////////////////////////////////////////////////////////////////////////
+  // File could end here if settle on Eigen ???
+  ///////////////////////////////////////////////////////////////////////////
+
+  void qr_decomp(std::vector<RealD>& lmd,   // Nm 
+		 std::vector<RealD>& lme,   // Nm 
+		 int Nk, int Nm,            // Nk, Nm
+		 Eigen::MatrixXd& Qt,       // Nm x Nm matrix
+		 RealD Dsh, int kmin, int kmax)
+  {
+    int k = kmin-1;
+    RealD x;
+    
+    RealD Fden = 1.0/hypot(lmd[k]-Dsh,lme[k]);
+    RealD c = ( lmd[k] -Dsh) *Fden;
+    RealD s = -lme[k] *Fden;
+      
+    RealD tmpa1 = lmd[k];
+    RealD tmpa2 = lmd[k+1];
+    RealD tmpb  = lme[k];
+
+    lmd[k]   = c*c*tmpa1 +s*s*tmpa2 -2.0*c*s*tmpb;
+    lmd[k+1] = s*s*tmpa1 +c*c*tmpa2 +2.0*c*s*tmpb;
+    lme[k]   = c*s*(tmpa1-tmpa2) +(c*c-s*s)*tmpb;
+    x        =-s*lme[k+1];
+    lme[k+1] = c*lme[k+1];
+      
+    for(int i=0; i<Nk; ++i){
+      RealD Qtmp1 = Qt(k,i);
+      RealD Qtmp2 = Qt(k+1,i);
+      Qt(k,i)  = c*Qtmp1 - s*Qtmp2;
+      Qt(k+1,i)= s*Qtmp1 + c*Qtmp2; 
+    }
+
+    // Givens transformations
+    for(int k = kmin; k < kmax-1; ++k){
+      
+      RealD Fden = 1.0/hypot(x,lme[k-1]);
+      RealD c = lme[k-1]*Fden;
+      RealD s = - x*Fden;
+	
+      RealD tmpa1 = lmd[k];
+      RealD tmpa2 = lmd[k+1];
+      RealD tmpb  = lme[k];
+
+      lmd[k]   = c*c*tmpa1 +s*s*tmpa2 -2.0*c*s*tmpb;
+      lmd[k+1] = s*s*tmpa1 +c*c*tmpa2 +2.0*c*s*tmpb;
+      lme[k]   = c*s*(tmpa1-tmpa2) +(c*c-s*s)*tmpb;
+      lme[k-1] = c*lme[k-1] -s*x;
+
+      if(k != kmax-2){
+	x = -s*lme[k+1];
+	lme[k+1] = c*lme[k+1];
+      }
+
+      for(int i=0; i<Nk; ++i){
+	RealD Qtmp1 = Qt(k,i);
+	RealD Qtmp2 = Qt(k+1,i);
+	Qt(k,i)     = c*Qtmp1 -s*Qtmp2;
+	Qt(k+1,i)   = s*Qtmp1 +c*Qtmp2;
+      }
+    }
+  }
+
+  void diagonalize(std::vector<RealD>& lmd, std::vector<RealD>& lme, 
+		   int Nk, int Nm,   
+		   Eigen::MatrixXd & Qt,
+		   GridBase *grid)
+  {
+    Qt = Eigen::MatrixXd::Identity(Nm,Nm);
+    if ( diagonalisation == IRLdiagonaliseWithDSTEGR ) {
+      diagonalize_lapack(lmd,lme,Nk,Nm,Qt,grid);
+    } else if ( diagonalisation == IRLdiagonaliseWithQR ) { 
+      diagonalize_QR(lmd,lme,Nk,Nm,Qt,grid);
+    }  else if ( diagonalisation == IRLdiagonaliseWithEigen ) { 
+      diagonalize_Eigen(lmd,lme,Nk,Nm,Qt,grid);
+    } else { 
+      assert(0);
+    }
+  }
+
+#ifdef USE_LAPACK
+void LAPACK_dstegr(char *jobz, char *range, int *n, double *d, double *e,
+                   double *vl, double *vu, int *il, int *iu, double *abstol,
+                   int *m, double *w, double *z, int *ldz, int *isuppz,
+                   double *work, int *lwork, int *iwork, int *liwork,
+                   int *info);
+#endif
+
+void diagonalize_lapack(std::vector<RealD>& lmd,
+			std::vector<RealD>& lme, 
+			int Nk, int Nm,  
+			Eigen::MatrixXd& Qt,
+			GridBase *grid)
+{
+#ifdef USE_LAPACK
+  const int size = Nm;
+  int NN = Nk;
+  double evals_tmp[NN];
+  double evec_tmp[NN][NN];
+  memset(evec_tmp[0],0,sizeof(double)*NN*NN);
+  double DD[NN];
+  double EE[NN];
+  for (int i = 0; i< NN; i++) {
+    for (int j = i - 1; j <= i + 1; j++) {
+      if ( j < NN && j >= 0 ) {
+	if (i==j) DD[i] = lmd[i];
+	if (i==j) evals_tmp[i] = lmd[i];
+	if (j==(i-1)) EE[j] = lme[j];
+      }
+    }
+  }
+  int evals_found;
+  int lwork = ( (18*NN) > (1+4*NN+NN*NN)? (18*NN):(1+4*NN+NN*NN)) ;
+  int liwork =  3+NN*10 ;
+  int iwork[liwork];
+  double work[lwork];
+  int isuppz[2*NN];
+  char jobz = 'V'; // calculate evals & evecs
+  char range = 'I'; // calculate all evals
+  //    char range = 'A'; // calculate all evals
+  char uplo = 'U'; // refer to upper half of original matrix
+  char compz = 'I'; // Compute eigenvectors of tridiagonal matrix
+  int ifail[NN];
+  int info;
+  int total = grid->_Nprocessors;
+  int node  = grid->_processor;
+  int interval = (NN/total)+1;
+  double vl = 0.0, vu = 0.0;
+  int il = interval*node+1 , iu = interval*(node+1);
+  if (iu > NN)  iu=NN;
+  double tol = 0.0;
+  if (1) {
+    memset(evals_tmp,0,sizeof(double)*NN);
+    if ( il <= NN){
+      LAPACK_dstegr(&jobz, &range, &NN,
+		    (double*)DD, (double*)EE,
+		    &vl, &vu, &il, &iu, // these four are ignored if second parameteris 'A'
+		    &tol, // tolerance
+		    &evals_found, evals_tmp, (double*)evec_tmp, &NN,
+		    isuppz,
+		    work, &lwork, iwork, &liwork,
+		    &info);
+      for (int i = iu-1; i>= il-1; i--){
+	evals_tmp[i] = evals_tmp[i - (il-1)];
+	if (il>1) evals_tmp[i-(il-1)]=0.;
+	for (int j = 0; j< NN; j++){
+	  evec_tmp[i][j] = evec_tmp[i - (il-1)][j];
+	  if (il>1) evec_tmp[i-(il-1)][j]=0.;
+	}
+      }
+    }
+    {
+      grid->GlobalSumVector(evals_tmp,NN);
+      grid->GlobalSumVector((double*)evec_tmp,NN*NN);
+    }
+  } 
+  // Safer to sort instead of just reversing it, 
+  // but the document of the routine says evals are sorted in increasing order. 
+  // qr gives evals in decreasing order.
+  for(int i=0;i<NN;i++){
+    lmd [NN-1-i]=evals_tmp[i];
+    for(int j=0;j<NN;j++){
+      Qt((NN-1-i),j)=evec_tmp[i][j];
+    }
+  }
+#else 
+  assert(0);
+#endif
+}
+
+  void diagonalize_QR(std::vector<RealD>& lmd, std::vector<RealD>& lme, 
+		      int Nk, int Nm,   
+		      Eigen::MatrixXd & Qt,
+		      GridBase *grid)
+  {
+    int Niter = 100*Nm;
+    int kmin = 1;
+    int kmax = Nk;
+
+    // (this should be more sophisticated)
+    for(int iter=0; iter<Niter; ++iter){
+      
+      // determination of 2x2 leading submatrix
+      RealD dsub = lmd[kmax-1]-lmd[kmax-2];
+      RealD dd = sqrt(dsub*dsub + 4.0*lme[kmax-2]*lme[kmax-2]);
+      RealD Dsh = 0.5*(lmd[kmax-2]+lmd[kmax-1] +dd*(dsub/fabs(dsub)));
+      // (Dsh: shift)
+	
+      // transformation
+      qr_decomp(lmd,lme,Nk,Nm,Qt,Dsh,kmin,kmax); // Nk, Nm
+	
+      // Convergence criterion (redef of kmin and kamx)
+      for(int j=kmax-1; j>= kmin; --j){
+	RealD dds = fabs(lmd[j-1])+fabs(lmd[j]);
+	if(fabs(lme[j-1])+dds > dds){
+	  kmax = j+1;
+	  goto continued;
+	}
+      }
+      Niter = iter;
+      return;
+
+    continued:
+      for(int j=0; j<kmax-1; ++j){
+	RealD dds = fabs(lmd[j])+fabs(lmd[j+1]);
+	if(fabs(lme[j])+dds > dds){
+	  kmin = j+1;
+	  break;
+	}
+      }
+    }
+    std::cout << GridLogError << "[QL method] Error - Too many iteration: "<<Niter<<"\n";
+    abort();
+  }
+
+ };
+}
+#endif

lib/algorithms/iterative/LocalCoherenceLanczos.h

@@ -28,7 +28,10 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     /*  END LEGAL */
 #ifndef GRID_LOCAL_COHERENCE_IRL_H
 #define GRID_LOCAL_COHERENCE_IRL_H
+
 namespace Grid { 
+
+
 struct LanczosParams : Serializable {
  public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParams,
@@ -45,6 +48,7 @@ struct LanczosParams : Serializable {
 struct LocalCoherenceLanczosParams : Serializable {
  public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(LocalCoherenceLanczosParams,
+				  bool, saveEvecs,
 				  bool, doFine,
 				  bool, doFineRead,
 				  bool, doCoarse,
@@ -70,21 +74,24 @@ public:
   typedef Lattice<Fobj>          FineField;
 
   LinearOperatorBase<FineField> &_Linop;
-  Aggregation<Fobj,CComplex,nbasis> &_Aggregate;
+  std::vector<FineField>        &subspace;
 
-  ProjectedHermOp(LinearOperatorBase<FineField>& linop,  Aggregation<Fobj,CComplex,nbasis> &aggregate) : 
-    _Linop(linop),
-    _Aggregate(aggregate)  {  };
+  ProjectedHermOp(LinearOperatorBase<FineField>& linop, std::vector<FineField> & _subspace) : 
+    _Linop(linop), subspace(_subspace)
+  {  
+    assert(subspace.size() >0);
+  };
 
   void operator()(const CoarseField& in, CoarseField& out) {
+    GridBase *FineGrid = subspace[0]._grid;    
+    int   checkerboard = subspace[0].checkerboard;
+      
+    FineField fin (FineGrid);     fin.checkerboard= checkerboard;
+    FineField fout(FineGrid);   fout.checkerboard = checkerboard;
 
-    GridBase *FineGrid = _Aggregate.FineGrid;
-    FineField fin(FineGrid);
-    FineField fout(FineGrid);
-
-    _Aggregate.PromoteFromSubspace(in,fin);    std::cout<<GridLogIRL<<"ProjectedHermop : Promote to fine"<<std::endl;
-    _Linop.HermOp(fin,fout);                   std::cout<<GridLogIRL<<"ProjectedHermop : HermOp (fine) "<<std::endl;
-    _Aggregate.ProjectToSubspace(out,fout);    std::cout<<GridLogIRL<<"ProjectedHermop : Project to coarse "<<std::endl;
+    blockPromote(in,fin,subspace);       std::cout<<GridLogIRL<<"ProjectedHermop : Promote to fine"<<std::endl;
+    _Linop.HermOp(fin,fout);             std::cout<<GridLogIRL<<"ProjectedHermop : HermOp (fine) "<<std::endl;
+    blockProject(out,fout,subspace);     std::cout<<GridLogIRL<<"ProjectedHermop : Project to coarse "<<std::endl;
   }
 };
 
@@ -99,24 +106,27 @@ public:
 
   OperatorFunction<FineField>   & _poly;
   LinearOperatorBase<FineField> &_Linop;
-  Aggregation<Fobj,CComplex,nbasis> &_Aggregate;
+  std::vector<FineField>        &subspace;
 
-  ProjectedFunctionHermOp(OperatorFunction<FineField> & poly,LinearOperatorBase<FineField>& linop, 
-			  Aggregation<Fobj,CComplex,nbasis> &aggregate) : 
+  ProjectedFunctionHermOp(OperatorFunction<FineField> & poly,
+			  LinearOperatorBase<FineField>& linop, 
+			  std::vector<FineField> & _subspace) :
     _poly(poly),
     _Linop(linop),
-    _Aggregate(aggregate)  {  };
+    subspace(_subspace)
+  {  };
 
   void operator()(const CoarseField& in, CoarseField& out) {
-
-    GridBase *FineGrid = _Aggregate.FineGrid;
-
-    FineField fin(FineGrid) ;fin.checkerboard  =_Aggregate.checkerboard;
-    FineField fout(FineGrid);fout.checkerboard =_Aggregate.checkerboard;
     
-    _Aggregate.PromoteFromSubspace(in,fin);    std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Promote to fine"<<std::endl;
+    GridBase *FineGrid = subspace[0]._grid;    
+    int   checkerboard = subspace[0].checkerboard;
+
+    FineField fin (FineGrid); fin.checkerboard =checkerboard;
+    FineField fout(FineGrid);fout.checkerboard =checkerboard;
+    
+    blockPromote(in,fin,subspace);             std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Promote to fine"<<std::endl;
     _poly(_Linop,fin,fout);                    std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Poly "<<std::endl;
-    _Aggregate.ProjectToSubspace(out,fout);    std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Project to coarse "<<std::endl;
+    blockProject(out,fout,subspace);           std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Project to coarse "<<std::endl;
   }
 };
 
@@ -132,19 +142,23 @@ class ImplicitlyRestartedLanczosSmoothedTester  : public ImplicitlyRestartedLanc
   LinearFunction<CoarseField> & _Poly;
   OperatorFunction<FineField>   & _smoother;
   LinearOperatorBase<FineField> &_Linop;
-  Aggregation<Fobj,CComplex,nbasis> &_Aggregate;
-  RealD                             _coarse_relax_tol;
+  RealD                          _coarse_relax_tol;
+  std::vector<FineField>        &_subspace;
+  
   ImplicitlyRestartedLanczosSmoothedTester(LinearFunction<CoarseField>   &Poly,
 					   OperatorFunction<FineField>   &smoother,
 					   LinearOperatorBase<FineField> &Linop,
-					   Aggregation<Fobj,CComplex,nbasis> &Aggregate,
+					   std::vector<FineField>        &subspace,
 					   RealD coarse_relax_tol=5.0e3) 
-    : _smoother(smoother), _Linop(Linop),_Aggregate(Aggregate), _Poly(Poly), _coarse_relax_tol(coarse_relax_tol)  {    };
+    : _smoother(smoother), _Linop(Linop), _Poly(Poly), _subspace(subspace),
+      _coarse_relax_tol(coarse_relax_tol)  
+  {    };
 
   int TestConvergence(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
   {
     CoarseField v(B);
     RealD eval_poly = eval;
+
     // Apply operator
     _Poly(B,v);
 
@@ -168,14 +182,13 @@ class ImplicitlyRestartedLanczosSmoothedTester  : public ImplicitlyRestartedLanc
   }
   int ReconstructEval(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
   {
-    GridBase *FineGrid = _Aggregate.FineGrid;
-
-    int checkerboard   = _Aggregate.checkerboard;
-
+    GridBase *FineGrid = _subspace[0]._grid;    
+    int checkerboard   = _subspace[0].checkerboard;
     FineField fB(FineGrid);fB.checkerboard =checkerboard;
     FineField fv(FineGrid);fv.checkerboard =checkerboard;
 
-    _Aggregate.PromoteFromSubspace(B,fv);
+    blockPromote(B,fv,_subspace);  
+    
     _smoother(_Linop,fv,fB); 
 
     RealD eval_poly = eval;
@@ -217,27 +230,65 @@ protected:
   int _checkerboard;
   LinearOperatorBase<FineField>                 & _FineOp;
   
-  // FIXME replace Aggregation with vector of fine; the code reuse is too small for
-  // the hassle and complexity of cross coupling.
-  Aggregation<Fobj,CComplex,nbasis>               _Aggregate;  
-  std::vector<RealD>                              evals_fine;
-  std::vector<RealD>                              evals_coarse; 
-  std::vector<CoarseField>                        evec_coarse;
+  std::vector<RealD>                              &evals_fine;
+  std::vector<RealD>                              &evals_coarse; 
+  std::vector<FineField>                          &subspace;
+  std::vector<CoarseField>                        &evec_coarse;
+
+private:
+  std::vector<RealD>                              _evals_fine;
+  std::vector<RealD>                              _evals_coarse; 
+  std::vector<FineField>                          _subspace;
+  std::vector<CoarseField>                        _evec_coarse;
+
 public:
+
   LocalCoherenceLanczos(GridBase *FineGrid,
-		GridBase *CoarseGrid,
-		LinearOperatorBase<FineField> &FineOp,
-		int checkerboard) :
+			GridBase *CoarseGrid,
+			LinearOperatorBase<FineField> &FineOp,
+			int checkerboard) :
     _CoarseGrid(CoarseGrid),
     _FineGrid(FineGrid),
-    _Aggregate(CoarseGrid,FineGrid,checkerboard),
     _FineOp(FineOp),
-    _checkerboard(checkerboard)
+    _checkerboard(checkerboard),
+    evals_fine  (_evals_fine),
+    evals_coarse(_evals_coarse),
+    subspace    (_subspace),
+    evec_coarse(_evec_coarse)
   {
     evals_fine.resize(0);
     evals_coarse.resize(0);
   };
-  void Orthogonalise(void ) { _Aggregate.Orthogonalise(); }
+  //////////////////////////////////////////////////////////////////////////
+  // Alternate constructore, external storage for use by Hadrons module
+  //////////////////////////////////////////////////////////////////////////
+  LocalCoherenceLanczos(GridBase *FineGrid,
+			GridBase *CoarseGrid,
+			LinearOperatorBase<FineField> &FineOp,
+			int checkerboard,
+			std::vector<FineField>   &ext_subspace,
+			std::vector<CoarseField> &ext_coarse,
+			std::vector<RealD>       &ext_eval_fine,
+			std::vector<RealD>       &ext_eval_coarse
+			) :
+    _CoarseGrid(CoarseGrid),
+    _FineGrid(FineGrid),
+    _FineOp(FineOp),
+    _checkerboard(checkerboard),
+    evals_fine  (ext_eval_fine), 
+    evals_coarse(ext_eval_coarse),
+    subspace    (ext_subspace),
+    evec_coarse (ext_coarse)
+  {
+    evals_fine.resize(0);
+    evals_coarse.resize(0);
+  };
+
+  void Orthogonalise(void ) {
+    CoarseScalar InnerProd(_CoarseGrid); 
+    blockOrthogonalise(InnerProd,subspace);std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
+    blockOrthogonalise(InnerProd,subspace);std::cout << GridLogMessage <<" Gramm-Schmidt pass 2"<<std::endl;
+  };
 
   template<typename T>  static RealD normalise(T& v) 
   {
@@ -246,43 +297,44 @@ public:
     v = v * (1.0/nn);
     return nn;
   }
-
+  /*
   void fakeFine(void)
   {
     int Nk = nbasis;
-    _Aggregate.subspace.resize(Nk,_FineGrid);
-    _Aggregate.subspace[0]=1.0;
-    _Aggregate.subspace[0].checkerboard=_checkerboard;
-    normalise(_Aggregate.subspace[0]);
+    subspace.resize(Nk,_FineGrid);
+    subspace[0]=1.0;
+    subspace[0].checkerboard=_checkerboard;
+    normalise(subspace[0]);
     PlainHermOp<FineField>    Op(_FineOp);
     for(int k=1;k<Nk;k++){
-      _Aggregate.subspace[k].checkerboard=_checkerboard;
-      Op(_Aggregate.subspace[k-1],_Aggregate.subspace[k]);
-      normalise(_Aggregate.subspace[k]);
+      subspace[k].checkerboard=_checkerboard;
+      Op(subspace[k-1],subspace[k]);
+      normalise(subspace[k]);
     }
   }
+  */
 
   void testFine(RealD resid) 
   {
     assert(evals_fine.size() == nbasis);
-    assert(_Aggregate.subspace.size() == nbasis);
+    assert(subspace.size() == nbasis);
     PlainHermOp<FineField>    Op(_FineOp);
     ImplicitlyRestartedLanczosHermOpTester<FineField> SimpleTester(Op);
     for(int k=0;k<nbasis;k++){
-      assert(SimpleTester.ReconstructEval(k,resid,_Aggregate.subspace[k],evals_fine[k],1.0)==1);
+      assert(SimpleTester.ReconstructEval(k,resid,subspace[k],evals_fine[k],1.0)==1);
     }
   }
 
   void testCoarse(RealD resid,ChebyParams cheby_smooth,RealD relax) 
   {
     assert(evals_fine.size() == nbasis);
-    assert(_Aggregate.subspace.size() == nbasis);
+    assert(subspace.size() == nbasis);
     //////////////////////////////////////////////////////////////////////////////////////////////////
     // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
     //////////////////////////////////////////////////////////////////////////////////////////////////
     Chebyshev<FineField>                          ChebySmooth(cheby_smooth);
-    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (ChebySmooth,_FineOp,_Aggregate);
-    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,_Aggregate,relax);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (ChebySmooth,_FineOp,_subspace);
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax);
 
     for(int k=0;k<evec_coarse.size();k++){
       if ( k < nbasis ) { 
@@ -302,34 +354,34 @@ public:
     PlainHermOp<FineField>    Op(_FineOp);
 
     evals_fine.resize(Nm);
-    _Aggregate.subspace.resize(Nm,_FineGrid);
+    subspace.resize(Nm,_FineGrid);
 
     ImplicitlyRestartedLanczos<FineField> IRL(ChebyOp,Op,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
 
     FineField src(_FineGrid); src=1.0; src.checkerboard = _checkerboard;
 
     int Nconv;
-    IRL.calc(evals_fine,_Aggregate.subspace,src,Nconv,false);
+    IRL.calc(evals_fine,subspace,src,Nconv,false);
     
     // Shrink down to number saved
     assert(Nstop>=nbasis);
     assert(Nconv>=nbasis);
     evals_fine.resize(nbasis);
-    _Aggregate.subspace.resize(nbasis,_FineGrid);
+    subspace.resize(nbasis,_FineGrid);
   }
   void calcCoarse(ChebyParams cheby_op,ChebyParams cheby_smooth,RealD relax,
 		  int Nstop, int Nk, int Nm,RealD resid, 
 		  RealD MaxIt, RealD betastp, int MinRes)
   {
     Chebyshev<FineField>                          Cheby(cheby_op);
-    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,_Aggregate);
-    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,_Aggregate);
+    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,_subspace);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,_subspace);
     //////////////////////////////////////////////////////////////////////////////////////////////////
     // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
     //////////////////////////////////////////////////////////////////////////////////////////////////
 
     Chebyshev<FineField>                                           ChebySmooth(cheby_smooth);
-    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,_Aggregate,relax);
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,_subspace,relax);
 
     evals_coarse.resize(Nm);
     evec_coarse.resize(Nm,_CoarseGrid);

lib/algorithms/iterative/SchurRedBlack.h

@@ -107,7 +107,12 @@ namespace Grid {
     };
 
     template<class Matrix>
-      void operator() (Matrix & _Matrix,const Field &in, Field &out){
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix, class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out, Guesser &guess){
 
       // FIXME CGdiagonalMee not implemented virtual function
       // FIXME use CBfactorise to control schur decomp
@@ -129,7 +134,6 @@ namespace Grid {
       pickCheckerboard(Odd ,src_o,in);
       pickCheckerboard(Even,sol_e,out);
       pickCheckerboard(Odd ,sol_o,out);
-
       std::cout << GridLogMessage << " SchurRedBlackStaggeredSolve checkerboards picked" <<std::endl;
     
       /////////////////////////////////////////////////////
@@ -146,6 +150,7 @@ namespace Grid {
       // Call the red-black solver
       //////////////////////////////////////////////////////////////
       std::cout<<GridLogMessage << "SchurRedBlackStaggeredSolver calling the Mpc solver" <<std::endl;
+      guess(src_o,sol_o);
       _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
       std::cout<<GridLogMessage << "SchurRedBlackStaggeredSolver called  the Mpc solver" <<std::endl;
 
@@ -189,7 +194,12 @@ namespace Grid {
     CBfactorise=cb;
   };
     template<class Matrix>
-      void operator() (Matrix & _Matrix,const Field &in, Field &out){
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix, class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out,Guesser &guess){
 
       // FIXME CGdiagonalMee not implemented virtual function
       // FIXME use CBfactorise to control schur decomp
@@ -225,6 +235,7 @@ namespace Grid {
       // Call the red-black solver
       //////////////////////////////////////////////////////////////
       std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
+      guess(src_o,sol_o);
       _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
 
       ///////////////////////////////////////////////////
@@ -268,7 +279,12 @@ namespace Grid {
     };
 
     template<class Matrix>
-      void operator() (Matrix & _Matrix,const Field &in, Field &out){
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix,class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out,Guesser &guess){
 
       // FIXME CGdiagonalMee not implemented virtual function
       // FIXME use CBfactorise to control schur decomp
@@ -305,6 +321,7 @@ namespace Grid {
       //////////////////////////////////////////////////////////////
       std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
 //      _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
+      guess(src_o,tmp);
       _HermitianRBSolver(_HermOpEO,src_o,tmp);  assert(tmp.checkerboard==Odd);
       _Matrix.MooeeInv(tmp,sol_o);        assert(  sol_o.checkerboard   ==Odd);
 
@@ -347,7 +364,12 @@ namespace Grid {
     };
 
     template<class Matrix>
-      void operator() (Matrix & _Matrix,const Field &in, Field &out){
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix, class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out,Guesser &guess){
 
       // FIXME CGdiagonalMee not implemented virtual function
       // FIXME use CBfactorise to control schur decomp
@@ -385,6 +407,7 @@ namespace Grid {
       std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
 //      _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
 //      _HermitianRBSolver(_HermOpEO,src_o,tmp);  assert(tmp.checkerboard==Odd);
+      guess(src_o,tmp);
       _HermitianRBSolver(src_o,tmp);  assert(tmp.checkerboard==Odd);
       _Matrix.MooeeInv(tmp,sol_o);        assert(  sol_o.checkerboard   ==Odd);
 

lib/algorithms/iterative/SimpleLanczos.h

@@ -0,0 +1,930 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
+
+    Copyright (C) 2015
+
+Author: Chulwoo Jung <chulwoo@bnl.gov>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef GRID_LANC_H
+#define GRID_LANC_H
+
+#include <string.h>		//memset
+
+#ifdef USE_LAPACK
+#ifdef USE_MKL
+#include<mkl_lapack.h>
+#else
+void LAPACK_dstegr (char *jobz, char *range, int *n, double *d, double *e,
+		    double *vl, double *vu, int *il, int *iu, double *abstol,
+		    int *m, double *w, double *z, int *ldz, int *isuppz,
+		    double *work, int *lwork, int *iwork, int *liwork,
+		    int *info);
+//#include <lapacke/lapacke.h>
+#endif
+#endif
+
+#include <Grid/algorithms/densematrix/DenseMatrix.h>
+
+// eliminate temorary vector in calc()
+#define MEM_SAVE
+
+namespace Grid
+{
+
+  struct Bisection
+  {
+
+#if 0
+    static void get_eig2 (int row_num, std::vector < RealD > &ALPHA,
+			  std::vector < RealD > &BETA,
+			  std::vector < RealD > &eig)
+    {
+      int i, j;
+        std::vector < RealD > evec1 (row_num + 3);
+        std::vector < RealD > evec2 (row_num + 3);
+      RealD eps2;
+        ALPHA[1] = 0.;
+        BETHA[1] = 0.;
+      for (i = 0; i < row_num - 1; i++)
+	{
+	  ALPHA[i + 1] = A[i * (row_num + 1)].real ();
+	  BETHA[i + 2] = A[i * (row_num + 1) + 1].real ();
+	}
+      ALPHA[row_num] = A[(row_num - 1) * (row_num + 1)].real ();
+        bisec (ALPHA, BETHA, row_num, 1, row_num, 1e-10, 1e-10, evec1, eps2);
+        bisec (ALPHA, BETHA, row_num, 1, row_num, 1e-16, 1e-16, evec2, eps2);
+
+      // Do we really need to sort here?
+      int begin = 1;
+      int end = row_num;
+      int swapped = 1;
+      while (swapped)
+	{
+	  swapped = 0;
+	  for (i = begin; i < end; i++)
+	    {
+	      if (mag (evec2[i]) > mag (evec2[i + 1]))
+		{
+		  swap (evec2 + i, evec2 + i + 1);
+		  swapped = 1;
+		}
+	    }
+	  end--;
+	  for (i = end - 1; i >= begin; i--)
+	    {
+	      if (mag (evec2[i]) > mag (evec2[i + 1]))
+		{
+		  swap (evec2 + i, evec2 + i + 1);
+		  swapped = 1;
+		}
+	    }
+	  begin++;
+	}
+
+      for (i = 0; i < row_num; i++)
+	{
+	  for (j = 0; j < row_num; j++)
+	    {
+	      if (i == j)
+		H[i * row_num + j] = evec2[i + 1];
+	      else
+		H[i * row_num + j] = 0.;
+	    }
+	}
+    }
+#endif
+
+    static void bisec (std::vector < RealD > &c,
+		       std::vector < RealD > &b,
+		       int n,
+		       int m1,
+		       int m2,
+		       RealD eps1,
+		       RealD relfeh, std::vector < RealD > &x, RealD & eps2)
+    {
+      std::vector < RealD > wu (n + 2);
+
+      RealD h, q, x1, xu, x0, xmin, xmax;
+      int i, a, k;
+
+      b[1] = 0.0;
+      xmin = c[n] - fabs (b[n]);
+      xmax = c[n] + fabs (b[n]);
+      for (i = 1; i < n; i++)
+	{
+	  h = fabs (b[i]) + fabs (b[i + 1]);
+	  if (c[i] + h > xmax)
+	    xmax = c[i] + h;
+	  if (c[i] - h < xmin)
+	    xmin = c[i] - h;
+	}
+      xmax *= 2.;
+
+      eps2 = relfeh * ((xmin + xmax) > 0.0 ? xmax : -xmin);
+      if (eps1 <= 0.0)
+	eps1 = eps2;
+      eps2 = 0.5 * eps1 + 7.0 * (eps2);
+      x0 = xmax;
+      for (i = m1; i <= m2; i++)
+	{
+	  x[i] = xmax;
+	  wu[i] = xmin;
+	}
+
+      for (k = m2; k >= m1; k--)
+	{
+	  xu = xmin;
+	  i = k;
+	  do
+	    {
+	      if (xu < wu[i])
+		{
+		  xu = wu[i];
+		  i = m1 - 1;
+		}
+	      i--;
+	    }
+	  while (i >= m1);
+	  if (x0 > x[k])
+	    x0 = x[k];
+	  while ((x0 - xu) > 2 * relfeh * (fabs (xu) + fabs (x0)) + eps1)
+	    {
+	      x1 = (xu + x0) / 2;
+
+	      a = 0;
+	      q = 1.0;
+	      for (i = 1; i <= n; i++)
+		{
+		  q =
+		    c[i] - x1 -
+		    ((q != 0.0) ? b[i] * b[i] / q : fabs (b[i]) / relfeh);
+		  if (q < 0)
+		    a++;
+		}
+//      printf("x1=%0.14e a=%d\n",x1,a);
+	      if (a < k)
+		{
+		  if (a < m1)
+		    {
+		      xu = x1;
+		      wu[m1] = x1;
+		    }
+		  else
+		    {
+		      xu = x1;
+		      wu[a + 1] = x1;
+		      if (x[a] > x1)
+			x[a] = x1;
+		    }
+		}
+	      else
+		x0 = x1;
+	    }
+	  printf ("x0=%0.14e xu=%0.14e k=%d\n", x0, xu, k);
+	  x[k] = (x0 + xu) / 2;
+	}
+    }
+  };
+
+/////////////////////////////////////////////////////////////
+// Implicitly restarted lanczos
+/////////////////////////////////////////////////////////////
+
+
+  template < class Field > class SimpleLanczos
+  {
+
+    const RealD small = 1.0e-16;
+  public:
+    int lock;
+    int get;
+    int Niter;
+    int converged;
+
+    int Nstop;			// Number of evecs checked for convergence
+    int Nk;			// Number of converged sought
+    int Np;			// Np -- Number of spare vecs in kryloc space
+    int Nm;			// Nm -- total number of vectors
+
+
+    RealD OrthoTime;
+
+    RealD eresid;
+
+    SortEigen < Field > _sort;
+
+    LinearOperatorBase < Field > &_Linop;
+
+    OperatorFunction < Field > &_poly;
+
+    /////////////////////////
+    // Constructor
+    /////////////////////////
+    void init (void)
+    {
+    };
+    void Abort (int ff, DenseVector < RealD > &evals,
+		DenseVector < DenseVector < RealD > >&evecs);
+
+    SimpleLanczos (LinearOperatorBase < Field > &Linop,	// op
+		   OperatorFunction < Field > &poly,	// polynmial
+		   int _Nstop,	// sought vecs
+		   int _Nk,	// sought vecs
+		   int _Nm,	// spare vecs
+		   RealD _eresid,	// resid in lmdue deficit 
+		   int _Niter):	// Max iterations
+     
+      _Linop (Linop),
+      _poly (poly),
+      Nstop (_Nstop), Nk (_Nk), Nm (_Nm), eresid (_eresid), Niter (_Niter)
+    {
+      Np = Nm - Nk;
+      assert (Np > 0);
+    };
+
+    /////////////////////////
+    // Sanity checked this routine (step) against Saad.
+    /////////////////////////
+    void RitzMatrix (DenseVector < Field > &evec, int k)
+    {
+
+      if (1)
+	return;
+
+      GridBase *grid = evec[0]._grid;
+      Field w (grid);
+      std::cout << GridLogMessage << "RitzMatrix " << std::endl;
+      for (int i = 0; i < k; i++)
+	{
+	  _Linop.HermOp (evec[i], w);
+//      _poly(_Linop,evec[i],w);
+	  std::cout << GridLogMessage << "[" << i << "] ";
+	  for (int j = 0; j < k; j++)
+	    {
+	      ComplexD in = innerProduct (evec[j], w);
+	      if (fabs ((double) i - j) > 1)
+		{
+		  if (abs (in) > 1.0e-9)
+		    {
+		      std::cout << GridLogMessage << "oops" << std::endl;
+		      abort ();
+		    }
+		  else
+		    std::cout << GridLogMessage << " 0 ";
+		}
+	      else
+		{
+		  std::cout << GridLogMessage << " " << in << " ";
+		}
+	    }
+	  std::cout << GridLogMessage << std::endl;
+	}
+    }
+
+    void step (DenseVector < RealD > &lmd,
+	       DenseVector < RealD > &lme,
+	       Field & last, Field & current, Field & next, uint64_t k)
+    {
+      if (lmd.size () <= k)
+	lmd.resize (k + Nm);
+      if (lme.size () <= k)
+	lme.resize (k + Nm);
+
+
+//      _poly(_Linop,current,next );   // 3. wk:=Avk−βkv_{k−1}
+      _Linop.HermOp (current, next);	// 3. wk:=Avk−βkv_{k−1}
+      if (k > 0)
+	{
+	  next -= lme[k - 1] * last;
+	}
+//      std::cout<<GridLogMessage << "<last|next>" << innerProduct(last,next) <<std::endl;
+
+      ComplexD zalph = innerProduct (current, next);	// 4. αk:=(wk,vk)
+      RealD alph = real (zalph);
+
+      next = next - alph * current;	// 5. wk:=wk−αkvk
+//      std::cout<<GridLogMessage << "<current|next>" << innerProduct(current,next) <<std::endl;
+
+      RealD beta = normalise (next);	// 6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
+      // 7. vk+1 := wk/βk+1
+//       norm=beta;
+
+      int interval = Nm / 100 + 1;
+      if ((k % interval) == 0)
+	std::
+	  cout << GridLogMessage << k << " : alpha = " << zalph << " beta " <<
+	  beta << std::endl;
+      const RealD tiny = 1.0e-20;
+      if (beta < tiny)
+	{
+	  std::cout << GridLogMessage << " beta is tiny " << beta << std::
+	    endl;
+	}
+      lmd[k] = alph;
+      lme[k] = beta;
+
+    }
+
+    void qr_decomp (DenseVector < RealD > &lmd,
+		    DenseVector < RealD > &lme,
+		    int Nk,
+		    int Nm,
+		    DenseVector < RealD > &Qt, RealD Dsh, int kmin, int kmax)
+    {
+      int k = kmin - 1;
+      RealD x;
+
+      RealD Fden = 1.0 / hypot (lmd[k] - Dsh, lme[k]);
+      RealD c = (lmd[k] - Dsh) * Fden;
+      RealD s = -lme[k] * Fden;
+
+      RealD tmpa1 = lmd[k];
+      RealD tmpa2 = lmd[k + 1];
+      RealD tmpb = lme[k];
+
+      lmd[k] = c * c * tmpa1 + s * s * tmpa2 - 2.0 * c * s * tmpb;
+      lmd[k + 1] = s * s * tmpa1 + c * c * tmpa2 + 2.0 * c * s * tmpb;
+      lme[k] = c * s * (tmpa1 - tmpa2) + (c * c - s * s) * tmpb;
+      x = -s * lme[k + 1];
+      lme[k + 1] = c * lme[k + 1];
+
+      for (int i = 0; i < Nk; ++i)
+	{
+	  RealD Qtmp1 = Qt[i + Nm * k];
+	  RealD Qtmp2 = Qt[i + Nm * (k + 1)];
+	  Qt[i + Nm * k] = c * Qtmp1 - s * Qtmp2;
+	  Qt[i + Nm * (k + 1)] = s * Qtmp1 + c * Qtmp2;
+	}
+
+      // Givens transformations
+      for (int k = kmin; k < kmax - 1; ++k)
+	{
+
+	  RealD Fden = 1.0 / hypot (x, lme[k - 1]);
+	  RealD c = lme[k - 1] * Fden;
+	  RealD s = -x * Fden;
+
+	  RealD tmpa1 = lmd[k];
+	  RealD tmpa2 = lmd[k + 1];
+	  RealD tmpb = lme[k];
+
+	  lmd[k] = c * c * tmpa1 + s * s * tmpa2 - 2.0 * c * s * tmpb;
+	  lmd[k + 1] = s * s * tmpa1 + c * c * tmpa2 + 2.0 * c * s * tmpb;
+	  lme[k] = c * s * (tmpa1 - tmpa2) + (c * c - s * s) * tmpb;
+	  lme[k - 1] = c * lme[k - 1] - s * x;
+
+	  if (k != kmax - 2)
+	    {
+	      x = -s * lme[k + 1];
+	      lme[k + 1] = c * lme[k + 1];
+	    }
+
+	  for (int i = 0; i < Nk; ++i)
+	    {
+	      RealD Qtmp1 = Qt[i + Nm * k];
+	      RealD Qtmp2 = Qt[i + Nm * (k + 1)];
+	      Qt[i + Nm * k] = c * Qtmp1 - s * Qtmp2;
+	      Qt[i + Nm * (k + 1)] = s * Qtmp1 + c * Qtmp2;
+	    }
+	}
+    }
+
+#ifdef USE_LAPACK
+#ifdef USE_MKL
+#define LAPACK_INT MKL_INT
+#else
+#define LAPACK_INT long long
+#endif
+    void diagonalize_lapack (DenseVector < RealD > &lmd, DenseVector < RealD > &lme, int N1,	// all
+			     int N2,	// get
+			     GridBase * grid)
+    {
+      const int size = Nm;
+      LAPACK_INT NN = N1;
+      double evals_tmp[NN];
+      double DD[NN];
+      double EE[NN];
+      for (int i = 0; i < NN; i++)
+	for (int j = i - 1; j <= i + 1; j++)
+	  if (j < NN && j >= 0)
+	    {
+	      if (i == j)
+		DD[i] = lmd[i];
+	      if (i == j)
+		evals_tmp[i] = lmd[i];
+	      if (j == (i - 1))
+		EE[j] = lme[j];
+	    }
+      LAPACK_INT evals_found;
+      LAPACK_INT lwork =
+	((18 * NN) >
+	 (1 + 4 * NN + NN * NN) ? (18 * NN) : (1 + 4 * NN + NN * NN));
+      LAPACK_INT liwork = 3 + NN * 10;
+      LAPACK_INT iwork[liwork];
+      double work[lwork];
+      LAPACK_INT isuppz[2 * NN];
+      char jobz = 'N';		// calculate evals only
+      char range = 'I';		// calculate il-th to iu-th evals
+      //    char range = 'A'; // calculate all evals
+      char uplo = 'U';		// refer to upper half of original matrix
+      char compz = 'I';		// Compute eigenvectors of tridiagonal matrix
+      int ifail[NN];
+      LAPACK_INT info;
+//  int total = QMP_get_number_of_nodes();
+//  int node = QMP_get_node_number();
+//  GridBase *grid = evec[0]._grid;
+      int total = grid->_Nprocessors;
+      int node = grid->_processor;
+      int interval = (NN / total) + 1;
+      double vl = 0.0, vu = 0.0;
+      LAPACK_INT il = interval * node + 1, iu = interval * (node + 1);
+      if (iu > NN)
+	iu = NN;
+      double tol = 0.0;
+      if (1)
+	{
+	  memset (evals_tmp, 0, sizeof (double) * NN);
+	  if (il <= NN)
+	    {
+	      printf ("total=%d node=%d il=%d iu=%d\n", total, node, il, iu);
+#ifdef USE_MKL
+	      dstegr (&jobz, &range, &NN,
+#else
+	      LAPACK_dstegr (&jobz, &range, &NN,
+#endif
+			     (double *) DD, (double *) EE, &vl, &vu, &il, &iu,	// these four are ignored if second parameteris 'A'
+			     &tol,	// tolerance
+			     &evals_found, evals_tmp, (double *) NULL, &NN,
+			     isuppz, work, &lwork, iwork, &liwork, &info);
+	      for (int i = iu - 1; i >= il - 1; i--)
+		{
+		  printf ("node=%d evals_found=%d evals_tmp[%d] = %g\n", node,
+			  evals_found, i - (il - 1), evals_tmp[i - (il - 1)]);
+		  evals_tmp[i] = evals_tmp[i - (il - 1)];
+		  if (il > 1)
+		    evals_tmp[i - (il - 1)] = 0.;
+		}
+	    }
+	  {
+	    grid->GlobalSumVector (evals_tmp, NN);
+	  }
+	}
+// cheating a bit. It is better to sort instead of just reversing it, but the document of the routine says evals are sorted in increasing order. qr gives evals in decreasing order.
+    }
+#undef LAPACK_INT
+#endif
+
+
+    void diagonalize (DenseVector < RealD > &lmd,
+		      DenseVector < RealD > &lme,
+		      int N2, int N1, GridBase * grid)
+    {
+
+#ifdef USE_LAPACK
+      const int check_lapack = 0;	// just use lapack if 0, check against lapack if 1
+
+      if (!check_lapack)
+	return diagonalize_lapack (lmd, lme, N2, N1, grid);
+
+//      diagonalize_lapack(lmd2,lme2,Nm2,Nm,Qt,grid);
+#endif
+    }
+
+#if 1
+    static RealD normalise (Field & v)
+    {
+      RealD nn = norm2 (v);
+      nn = sqrt (nn);
+      v = v * (1.0 / nn);
+      return nn;
+    }
+
+    void orthogonalize (Field & w, DenseVector < Field > &evec, int k)
+    {
+      double t0 = -usecond () / 1e6;
+      typedef typename Field::scalar_type MyComplex;
+      MyComplex ip;
+
+      if (0)
+	{
+	  for (int j = 0; j < k; ++j)
+	    {
+	      normalise (evec[j]);
+	      for (int i = 0; i < j; i++)
+		{
+		  ip = innerProduct (evec[i], evec[j]);	// are the evecs normalised? ; this assumes so.
+		  evec[j] = evec[j] - ip * evec[i];
+		}
+	    }
+	}
+
+      for (int j = 0; j < k; ++j)
+	{
+	  ip = innerProduct (evec[j], w);	// are the evecs normalised? ; this assumes so.
+	  w = w - ip * evec[j];
+	}
+      normalise (w);
+      t0 += usecond () / 1e6;
+      OrthoTime += t0;
+    }
+
+    void setUnit_Qt (int Nm, DenseVector < RealD > &Qt)
+    {
+      for (int i = 0; i < Qt.size (); ++i)
+	Qt[i] = 0.0;
+      for (int k = 0; k < Nm; ++k)
+	Qt[k + k * Nm] = 1.0;
+    }
+
+
+    void calc (DenseVector < RealD > &eval, const Field & src, int &Nconv)
+    {
+
+      GridBase *grid = src._grid;
+//      assert(grid == src._grid);
+
+      std::
+	cout << GridLogMessage << " -- Nk = " << Nk << " Np = " << Np << std::
+	endl;
+      std::cout << GridLogMessage << " -- Nm = " << Nm << std::endl;
+      std::cout << GridLogMessage << " -- size of eval   = " << eval.
+	size () << std::endl;
+
+//      assert(c.size() && Nm == eval.size());
+
+      DenseVector < RealD > lme (Nm);
+      DenseVector < RealD > lmd (Nm);
+
+
+      Field current (grid);
+      Field last (grid);
+      Field next (grid);
+
+      Nconv = 0;
+
+      RealD beta_k;
+
+      // Set initial vector
+      // (uniform vector) Why not src??
+      //      evec[0] = 1.0;
+      current = src;
+      std::cout << GridLogMessage << "norm2(src)= " << norm2 (src) << std::
+	endl;
+      normalise (current);
+      std::
+	cout << GridLogMessage << "norm2(evec[0])= " << norm2 (current) <<
+	std::endl;
+
+      // Initial Nk steps
+      OrthoTime = 0.;
+      double t0 = usecond () / 1e6;
+      RealD norm;		// sqrt norm of last vector
+
+      uint64_t iter = 0;
+
+      bool initted = false;
+      std::vector < RealD > low (Nstop * 10);
+      std::vector < RealD > high (Nstop * 10);
+      RealD cont = 0.;
+      while (1) {
+	  cont = 0.;
+	  std::vector < RealD > lme2 (Nm);
+	  std::vector < RealD > lmd2 (Nm);
+	  for (uint64_t k = 0; k < Nm; ++k, iter++) {
+	      step (lmd, lme, last, current, next, iter);
+	      last = current;
+	      current = next;
+	    }
+	  double t1 = usecond () / 1e6;
+	  std::cout << GridLogMessage << "IRL::Initial steps: " << t1 -
+	    t0 << "seconds" << std::endl;
+	  t0 = t1;
+	  std::
+	    cout << GridLogMessage << "IRL::Initial steps:OrthoTime " <<
+	    OrthoTime << "seconds" << std::endl;
+
+	  // getting eigenvalues
+	  lmd2.resize (iter + 2);
+	  lme2.resize (iter + 2);
+	  for (uint64_t k = 0; k < iter; ++k) {
+	      lmd2[k + 1] = lmd[k];
+	      lme2[k + 2] = lme[k];
+	    }
+	  t1 = usecond () / 1e6;
+	  std::cout << GridLogMessage << "IRL:: copy: " << t1 -
+	    t0 << "seconds" << std::endl;
+	  t0 = t1;
+	  {
+	    int total = grid->_Nprocessors;
+	    int node = grid->_processor;
+	    int interval = (Nstop / total) + 1;
+	    int iu = (iter + 1) - (interval * node + 1);
+	    int il = (iter + 1) - (interval * (node + 1));
+	    std::vector < RealD > eval2 (iter + 3);
+	    RealD eps2;
+	    Bisection::bisec (lmd2, lme2, iter, il, iu, 1e-16, 1e-10, eval2,
+			      eps2);
+//        diagonalize(eval2,lme2,iter,Nk,grid);
+	    RealD diff = 0.;
+	    for (int i = il; i <= iu; i++) {
+		if (initted)
+		  diff =
+		    fabs (eval2[i] - high[iu-i]) / (fabs (eval2[i]) +
+						      fabs (high[iu-i]));
+		if (initted && (diff > eresid))
+		  cont = 1.;
+		if (initted)
+		  printf ("eval[%d]=%0.14e %0.14e, %0.14e\n", i, eval2[i],
+			  high[iu-i], diff);
+		high[iu-i] = eval2[i];
+	      }
+	    il = (interval * node + 1);
+	    iu = (interval * (node + 1));
+	    Bisection::bisec (lmd2, lme2, iter, il, iu, 1e-16, 1e-10, eval2,
+			      eps2);
+	    for (int i = il; i <= iu; i++) {
+		if (initted)
+		  diff =
+		    fabs (eval2[i] - low[i]) / (fabs (eval2[i]) +
+						fabs (low[i]));
+		if (initted && (diff > eresid))
+		  cont = 1.;
+		if (initted)
+		  printf ("eval[%d]=%0.14e %0.14e, %0.14e\n", i, eval2[i],
+			  low[i], diff);
+		low[i] = eval2[i];
+	      }
+	    t1 = usecond () / 1e6;
+	    std::cout << GridLogMessage << "IRL:: diagonalize: " << t1 -
+	      t0 << "seconds" << std::endl;
+	    t0 = t1;
+	  }
+
+	  for (uint64_t k = 0; k < Nk; ++k) {
+//          eval[k] = eval2[k];
+	    }
+	  if (initted)
+	    {
+	      grid->GlobalSumVector (&cont, 1);
+	      if (cont < 1.) return;
+	    }
+	  initted = true;
+	}
+
+    }
+
+
+
+
+
+
+/**
+   There is some matrix Q such that for any vector y
+   Q.e_1 = y and Q is unitary.
+**/
+    template < class T >
+      static T orthQ (DenseMatrix < T > &Q, DenseVector < T > y)
+    {
+      int N = y.size ();	//Matrix Size
+      Fill (Q, 0.0);
+      T tau;
+      for (int i = 0; i < N; i++)
+	{
+	  Q[i][0] = y[i];
+	}
+      T sig = conj (y[0]) * y[0];
+      T tau0 = fabs (sqrt (sig));
+
+      for (int j = 1; j < N; j++)
+	{
+	  sig += conj (y[j]) * y[j];
+	  tau = abs (sqrt (sig));
+
+	  if (abs (tau0) > 0.0)
+	    {
+
+	      T gam = conj ((y[j] / tau) / tau0);
+	      for (int k = 0; k <= j - 1; k++)
+		{
+		  Q[k][j] = -gam * y[k];
+		}
+	      Q[j][j] = tau0 / tau;
+	    }
+	  else
+	    {
+	      Q[j - 1][j] = 1.0;
+	    }
+	  tau0 = tau;
+	}
+      return tau;
+    }
+
+/**
+	There is some matrix Q such that for any vector y
+	Q.e_k = y and Q is unitary.
+**/
+    template < class T >
+      static T orthU (DenseMatrix < T > &Q, DenseVector < T > y)
+    {
+      T tau = orthQ (Q, y);
+      SL (Q);
+      return tau;
+    }
+
+
+/**
+	Wind up with a matrix with the first con rows untouched
+
+say con = 2
+	Q is such that Qdag H Q has {x, x, val, 0, 0, 0, 0, ...} as 1st colum
+	and the matrix is upper hessenberg
+	and with f and Q appropriately modidied with Q is the arnoldi factorization
+
+**/
+
+    template < class T > static void Lock (DenseMatrix < T > &H,	///Hess mtx     
+					   DenseMatrix < T > &Q,	///Lock Transform
+					   T val,	///value to be locked
+					   int con,	///number already locked
+					   RealD small, int dfg, bool herm)
+    {
+      //ForceTridiagonal(H);
+
+      int M = H.dim;
+      DenseVector < T > vec;
+      Resize (vec, M - con);
+
+      DenseMatrix < T > AH;
+      Resize (AH, M - con, M - con);
+      AH = GetSubMtx (H, con, M, con, M);
+
+      DenseMatrix < T > QQ;
+      Resize (QQ, M - con, M - con);
+
+      Unity (Q);
+      Unity (QQ);
+
+      DenseVector < T > evals;
+      Resize (evals, M - con);
+      DenseMatrix < T > evecs;
+      Resize (evecs, M - con, M - con);
+
+      Wilkinson < T > (AH, evals, evecs, small);
+
+      int k = 0;
+      RealD cold = abs (val - evals[k]);
+      for (int i = 1; i < M - con; i++)
+	{
+	  RealD cnew = abs (val - evals[i]);
+	  if (cnew < cold)
+	    {
+	      k = i;
+	      cold = cnew;
+	    }
+	}
+      vec = evecs[k];
+
+      ComplexD tau;
+      orthQ (QQ, vec);
+      //orthQM(QQ,AH,vec);
+
+      AH = Hermitian (QQ) * AH;
+      AH = AH * QQ;
+
+      for (int i = con; i < M; i++)
+	{
+	  for (int j = con; j < M; j++)
+	    {
+	      Q[i][j] = QQ[i - con][j - con];
+	      H[i][j] = AH[i - con][j - con];
+	    }
+	}
+
+      for (int j = M - 1; j > con + 2; j--)
+	{
+
+	  DenseMatrix < T > U;
+	  Resize (U, j - 1 - con, j - 1 - con);
+	  DenseVector < T > z;
+	  Resize (z, j - 1 - con);
+	  T nm = norm (z);
+	  for (int k = con + 0; k < j - 1; k++)
+	    {
+	      z[k - con] = conj (H (j, k + 1));
+	    }
+	  normalise (z);
+
+	  RealD tmp = 0;
+	  for (int i = 0; i < z.size () - 1; i++)
+	    {
+	      tmp = tmp + abs (z[i]);
+	    }
+
+	  if (tmp < small / ((RealD) z.size () - 1.0))
+	    {
+	      continue;
+	    }
+
+	  tau = orthU (U, z);
+
+	  DenseMatrix < T > Hb;
+	  Resize (Hb, j - 1 - con, M);
+
+	  for (int a = 0; a < M; a++)
+	    {
+	      for (int b = 0; b < j - 1 - con; b++)
+		{
+		  T sum = 0;
+		  for (int c = 0; c < j - 1 - con; c++)
+		    {
+		      sum += H[a][con + 1 + c] * U[c][b];
+		    }		//sum += H(a,con+1+c)*U(c,b);}
+		  Hb[b][a] = sum;
+		}
+	    }
+
+	  for (int k = con + 1; k < j; k++)
+	    {
+	      for (int l = 0; l < M; l++)
+		{
+		  H[l][k] = Hb[k - 1 - con][l];
+		}
+	    }			//H(Hb[k-1-con][l] , l,k);}}
+
+	  DenseMatrix < T > Qb;
+	  Resize (Qb, M, M);
+
+	  for (int a = 0; a < M; a++)
+	    {
+	      for (int b = 0; b < j - 1 - con; b++)
+		{
+		  T sum = 0;
+		  for (int c = 0; c < j - 1 - con; c++)
+		    {
+		      sum += Q[a][con + 1 + c] * U[c][b];
+		    }		//sum += Q(a,con+1+c)*U(c,b);}
+		  Qb[b][a] = sum;
+		}
+	    }
+
+	  for (int k = con + 1; k < j; k++)
+	    {
+	      for (int l = 0; l < M; l++)
+		{
+		  Q[l][k] = Qb[k - 1 - con][l];
+		}
+	    }			//Q(Qb[k-1-con][l] , l,k);}}
+
+	  DenseMatrix < T > Hc;
+	  Resize (Hc, M, M);
+
+	  for (int a = 0; a < j - 1 - con; a++)
+	    {
+	      for (int b = 0; b < M; b++)
+		{
+		  T sum = 0;
+		  for (int c = 0; c < j - 1 - con; c++)
+		    {
+		      sum += conj (U[c][a]) * H[con + 1 + c][b];
+		    }		//sum += conj( U(c,a) )*H(con+1+c,b);}
+		  Hc[b][a] = sum;
+		}
+	    }
+
+	  for (int k = 0; k < M; k++)
+	    {
+	      for (int l = con + 1; l < j; l++)
+		{
+		  H[l][k] = Hc[k][l - 1 - con];
+		}
+	    }			//H(Hc[k][l-1-con] , l,k);}}
+
+	}
+    }
+#endif
+
+
+  };
+
+}
+#endif

lib/algorithms/iterative/bisec.c

@@ -0,0 +1,122 @@
+#include <math.h>
+#include <stdlib.h>
+#include <vector>
+
+struct Bisection {
+
+static void get_eig2(int row_num,std::vector<RealD> &ALPHA,std::vector<RealD> &BETA, std::vector<RealD> & eig)
+{
+  int i,j;
+  std::vector<RealD> evec1(row_num+3);
+  std::vector<RealD> evec2(row_num+3);
+  RealD eps2;
+  ALPHA[1]=0.;
+  BETHA[1]=0.;
+  for(i=0;i<row_num-1;i++) {
+    ALPHA[i+1] = A[i*(row_num+1)].real();
+    BETHA[i+2] = A[i*(row_num+1)+1].real();
+  }
+  ALPHA[row_num] = A[(row_num-1)*(row_num+1)].real();
+  bisec(ALPHA,BETHA,row_num,1,row_num,1e-10,1e-10,evec1,eps2);
+  bisec(ALPHA,BETHA,row_num,1,row_num,1e-16,1e-16,evec2,eps2);
+
+  // Do we really need to sort here?
+  int begin=1;
+  int end = row_num;
+  int swapped=1;
+  while(swapped) {
+    swapped=0;
+    for(i=begin;i<end;i++){
+      if(mag(evec2[i])>mag(evec2[i+1]))	{
+	swap(evec2+i,evec2+i+1);
+	swapped=1;
+      }
+    }
+    end--;
+    for(i=end-1;i>=begin;i--){
+      if(mag(evec2[i])>mag(evec2[i+1]))	{
+	swap(evec2+i,evec2+i+1);
+	swapped=1;
+      }
+    }
+    begin++;
+  }
+
+  for(i=0;i<row_num;i++){
+    for(j=0;j<row_num;j++) {
+      if(i==j) H[i*row_num+j]=evec2[i+1];
+      else H[i*row_num+j]=0.;
+    }
+  }
+}
+
+static void bisec(std::vector<RealD> &c,   
+		  std::vector<RealD> &b,
+		  int n,
+		  int m1,
+		  int m2,
+		  RealD eps1,
+		  RealD relfeh,
+		  std::vector<RealD> &x,
+		  RealD &eps2)
+{
+  std::vector<RealD> wu(n+2);
+
+  RealD h,q,x1,xu,x0,xmin,xmax; 
+  int i,a,k;
+
+  b[1]=0.0;
+  xmin=c[n]-fabs(b[n]);
+  xmax=c[n]+fabs(b[n]);
+  for(i=1;i<n;i++){
+    h=fabs(b[i])+fabs(b[i+1]);
+    if(c[i]+h>xmax) xmax= c[i]+h;
+    if(c[i]-h<xmin) xmin= c[i]-h;
+  }
+  xmax *=2.;
+
+  eps2=relfeh*((xmin+xmax)>0.0 ? xmax : -xmin);
+  if(eps1<=0.0) eps1=eps2;
+  eps2=0.5*eps1+7.0*(eps2);
+  x0=xmax;
+  for(i=m1;i<=m2;i++){
+    x[i]=xmax;
+    wu[i]=xmin;
+  }
+
+  for(k=m2;k>=m1;k--){
+    xu=xmin;
+    i=k;
+    do{
+      if(xu<wu[i]){
+	xu=wu[i];
+	i=m1-1;
+      }
+      i--;
+    }while(i>=m1);
+    if(x0>x[k]) x0=x[k];
+    while((x0-xu)>2*relfeh*(fabs(xu)+fabs(x0))+eps1){
+      x1=(xu+x0)/2;
+
+      a=0;
+      q=1.0;
+      for(i=1;i<=n;i++){
+	q=c[i]-x1-((q!=0.0)? b[i]*b[i]/q:fabs(b[i])/relfeh);
+	if(q<0) a++;
+      }
+      //			printf("x1=%e a=%d\n",x1,a);
+      if(a<k){
+	if(a<m1){
+	  xu=x1;
+	  wu[m1]=x1;
+	}else {
+	  xu=x1;
+	  wu[a+1]=x1;
+	  if(x[a]>x1) x[a]=x1;
+	}
+      }else x0=x1;
+    }
+    x[k]=(x0+xu)/2;
+  }
+}
+}

lib/allocator/AlignedAllocator.h

@@ -277,7 +277,9 @@ public:
     uint8_t *cp = (uint8_t *)ptr;
     if ( ptr ) { 
     // One touch per 4k page, static OMP loop to catch same loop order
+#ifdef GRID_OMP
 #pragma omp parallel for schedule(static)
+#endif
       for(size_type n=0;n<bytes;n+=4096){
 	cp[n]=0;
       }

lib/communicator/Communicator_mpi3.cc

@@ -44,11 +44,15 @@ void CartesianCommunicator::Init(int *argc, char ***argv)
   MPI_Initialized(&flag); // needed to coexist with other libs apparently
   if ( !flag ) {
     MPI_Init_thread(argc,argv,MPI_THREAD_MULTIPLE,&provided);
-    assert (provided == MPI_THREAD_MULTIPLE);
+    //If only 1 comms thread we require any threading mode other than SINGLE, but for multiple comms threads we need MULTIPLE
+    if( (nCommThreads == 1 && provided == MPI_THREAD_SINGLE) ||
+        (nCommThreads > 1 && provided != MPI_THREAD_MULTIPLE) )
+      assert(0);
   }
 
   Grid_quiesce_nodes();
 
+  // Never clean up as done once.
   MPI_Comm_dup (MPI_COMM_WORLD,&communicator_world);
 
   GlobalSharedMemory::Init(communicator_world);
@@ -85,9 +89,17 @@ void  CartesianCommunicator::ProcessorCoorFromRank(int rank, std::vector<int> &c
 CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors) 
 {
   MPI_Comm optimal_comm;
-  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm); // Remap using the shared memory optimising routine
+  ////////////////////////////////////////////////////
+  // Remap using the shared memory optimising routine
+  // The remap creates a comm which must be freed
+  ////////////////////////////////////////////////////
+  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm);
   InitFromMPICommunicator(processors,optimal_comm);
   SetCommunicator(optimal_comm);
+  ///////////////////////////////////////////////////
+  // Free the temp communicator
+  ///////////////////////////////////////////////////
+  MPI_Comm_free(&optimal_comm);
 }
 
 //////////////////////////////////
@@ -183,8 +195,8 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,
 
   } else {
     srank = 0;
-    comm_split    = parent.communicator;
-    //    std::cout << " Inherited communicator " <<comm_split <<std::endl;
+    int ierr = MPI_Comm_dup (parent.communicator,&comm_split);
+    assert(ierr==0);
   }
 
   //////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -196,6 +208,11 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,
   // Take the right SHM buffers
   //////////////////////////////////////////////////////////////////////////////////////////////////////
   SetCommunicator(comm_split);
+  
+  ///////////////////////////////////////////////
+  // Free the temp communicator 
+  ///////////////////////////////////////////////
+  MPI_Comm_free(&comm_split);
 
   if(0){ 
     std::cout << " ndim " <<_ndimension<<" " << parent._ndimension << std::endl;
@@ -210,6 +227,9 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,
 
 void CartesianCommunicator::InitFromMPICommunicator(const std::vector<int> &processors, MPI_Comm communicator_base)
 {
+  ////////////////////////////////////////////////////
+  // Creates communicator, and the communicator_halo
+  ////////////////////////////////////////////////////
   _ndimension = processors.size();
   _processor_coor.resize(_ndimension);
 

lib/communicator/SharedMemory.h

@@ -133,6 +133,7 @@ class SharedMemory
 
  public:
   SharedMemory() {};
+  ~SharedMemory();
   ///////////////////////////////////////////////////////////////////////////////////////
   // set the buffers & sizes
   ///////////////////////////////////////////////////////////////////////////////////////

lib/communicator/SharedMemoryMPI.cc

@@ -27,6 +27,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 /*  END LEGAL */
 
 #include <Grid/GridCore.h>
+#include <pwd.h>
 
 namespace Grid { 
 
@@ -113,19 +114,151 @@ void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
   assert(WorldNode!=-1);
   _ShmSetup=1;
 }
-
-void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,Grid_MPI_Comm & optimal_comm)
+// Gray encode support 
+int BinaryToGray (int  binary) {
+  int gray = (binary>>1)^binary;
+  return gray;
+}
+int Log2Size(int TwoToPower,int MAXLOG2)
 {
-  ////////////////////////////////////////////////////////////////
-  // Assert power of two shm_size.
-  ////////////////////////////////////////////////////////////////
   int log2size = -1;
-  for(int i=0;i<=MAXLOG2RANKSPERNODE;i++){  
-    if ( (0x1<<i) == WorldShmSize ) {
+  for(int i=0;i<=MAXLOG2;i++){
+    if ( (0x1<<i) == TwoToPower ) {
       log2size = i;
       break;
     }
   }
+  return log2size;
+}
+void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,Grid_MPI_Comm & optimal_comm)
+{
+#undef HYPERCUBE 
+#ifdef HYPERCUBE
+  ////////////////////////////////////////////////////////////////
+  // Assert power of two shm_size.
+  ////////////////////////////////////////////////////////////////
+  int log2size = Log2Size(WorldShmSize,MAXLOG2RANKSPERNODE);
+  assert(log2size != -1);
+
+  ////////////////////////////////////////////////////////////////
+  // Identify the hypercube coordinate of this node using hostname
+  ////////////////////////////////////////////////////////////////
+  // n runs 0...7 9...16 18...25 27...34     (8*4)  5 bits
+  // i runs 0..7                                    3 bits
+  // r runs 0..3                                    2 bits
+  // 2^10 = 1024 nodes
+  const int maxhdim = 10; 
+  std::vector<int> HyperCubeCoords(maxhdim,0);
+  std::vector<int> RootHyperCubeCoords(maxhdim,0);
+  int R;
+  int I;
+  int N;
+  const int namelen = _POSIX_HOST_NAME_MAX;
+  char name[namelen];
+
+  // Parse ICE-XA hostname to get hypercube location
+  gethostname(name,namelen);
+  int nscan = sscanf(name,"r%di%dn%d",&R,&I,&N) ;
+  assert(nscan==3);
+
+  int nlo = N%9;
+  int nhi = N/9;
+  uint32_t hypercoor = (R<<8)|(I<<5)|(nhi<<3)|nlo ;
+  uint32_t rootcoor  = hypercoor;
+
+  //////////////////////////////////////////////////////////////////
+  // Print debug info
+  //////////////////////////////////////////////////////////////////
+  for(int d=0;d<maxhdim;d++){
+    HyperCubeCoords[d] = (hypercoor>>d)&0x1;
+  }
+
+  std::string hname(name);
+  std::cout << "hostname "<<hname<<std::endl;
+  std::cout << "R " << R << " I " << I << " N "<< N<<
+            << " hypercoor 0x"<<std::hex<<hypercoor<<std::dec<<std::endl;
+
+  //////////////////////////////////////////////////////////////////
+  // broadcast node 0's base coordinate for this partition.
+  //////////////////////////////////////////////////////////////////
+  MPI_Bcast(&rootcoor, sizeof(rootcoor), MPI_BYTE, 0, WorldComm); 
+  hypercoor=hypercoor-rootcoor;
+  assert(hypercoor<WorldSize);
+  assert(hypercoor>=0);
+
+  //////////////////////////////////////
+  // Printing
+  //////////////////////////////////////
+  for(int d=0;d<maxhdim;d++){
+    HyperCubeCoords[d] = (hypercoor>>d)&0x1;
+  }
+
+  ////////////////////////////////////////////////////////////////
+  // Identify subblock of ranks on node spreading across dims
+  // in a maximally symmetrical way
+  ////////////////////////////////////////////////////////////////
+  int ndimension              = processors.size();
+  std::vector<int> processor_coor(ndimension);
+  std::vector<int> WorldDims = processors;   std::vector<int> ShmDims  (ndimension,1);  std::vector<int> NodeDims (ndimension);
+  std::vector<int> ShmCoor  (ndimension);    std::vector<int> NodeCoor (ndimension);    std::vector<int> WorldCoor(ndimension);
+  std::vector<int> HyperCoor(ndimension);
+  int dim = 0;
+  for(int l2=0;l2<log2size;l2++){
+    while ( (WorldDims[dim] / ShmDims[dim]) <= 1 ) dim=(dim+1)%ndimension;
+    ShmDims[dim]*=2;
+    dim=(dim+1)%ndimension;
+  }
+
+  ////////////////////////////////////////////////////////////////
+  // Establish torus of processes and nodes with sub-blockings
+  ////////////////////////////////////////////////////////////////
+  for(int d=0;d<ndimension;d++){
+    NodeDims[d] = WorldDims[d]/ShmDims[d];
+  }
+  ////////////////////////////////////////////////////////////////
+  // Map Hcube according to physical lattice 
+  // must partition. Loop over dims and find out who would join.
+  ////////////////////////////////////////////////////////////////
+  int hcoor = hypercoor;
+  for(int d=0;d<ndimension;d++){
+     int bits = Log2Size(NodeDims[d],MAXLOG2RANKSPERNODE);
+     int msk  = (0x1<<bits)-1;
+     HyperCoor[d]=hcoor & msk;  
+     HyperCoor[d]=BinaryToGray(HyperCoor[d]); // Space filling curve magic
+     hcoor = hcoor >> bits;
+  } 
+  ////////////////////////////////////////////////////////////////
+  // Check processor counts match
+  ////////////////////////////////////////////////////////////////
+  int Nprocessors=1;
+  for(int i=0;i<ndimension;i++){
+    Nprocessors*=processors[i];
+  }
+  assert(WorldSize==Nprocessors);
+
+  ////////////////////////////////////////////////////////////////
+  // Establish mapping between lexico physics coord and WorldRank
+  ////////////////////////////////////////////////////////////////
+  int rank;
+
+  Lexicographic::CoorFromIndexReversed(NodeCoor,WorldNode   ,NodeDims);
+
+  for(int d=0;d<ndimension;d++) NodeCoor[d]=HyperCoor[d];
+
+  Lexicographic::CoorFromIndexReversed(ShmCoor ,WorldShmRank,ShmDims);
+  for(int d=0;d<ndimension;d++) WorldCoor[d] = NodeCoor[d]*ShmDims[d]+ShmCoor[d];
+  Lexicographic::IndexFromCoorReversed(WorldCoor,rank,WorldDims);
+
+  /////////////////////////////////////////////////////////////////
+  // Build the new communicator
+  /////////////////////////////////////////////////////////////////
+  int ierr= MPI_Comm_split(WorldComm,0,rank,&optimal_comm);
+  assert(ierr==0);
+#else 
+  ////////////////////////////////////////////////////////////////
+  // Assert power of two shm_size.
+  ////////////////////////////////////////////////////////////////
+  int log2size = Log2Size(WorldShmSize,MAXLOG2RANKSPERNODE);
   assert(log2size != -1);
 
   ////////////////////////////////////////////////////////////////
@@ -174,14 +307,77 @@ void GlobalSharedMemory::OptimalCommunicator(const std::vector<int> &processors,
   /////////////////////////////////////////////////////////////////
   int ierr= MPI_Comm_split(WorldComm,0,rank,&optimal_comm);
   assert(ierr==0);
+#endif
 }
+////////////////////////////////////////////////////////////////////////////////////////////
+// SHMGET
+////////////////////////////////////////////////////////////////////////////////////////////
+#ifdef GRID_MPI3_SHMGET
+void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
+{
+  std::cout << "SharedMemoryAllocate "<< bytes<< " shmget implementation "<<std::endl;
+  assert(_ShmSetup==1);
+  assert(_ShmAlloc==0);
 
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // allocate the shared windows for our group
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  MPI_Barrier(WorldShmComm);
+  WorldShmCommBufs.resize(WorldShmSize);
+  std::vector<int> shmids(WorldShmSize);
+
+  if ( WorldShmRank == 0 ) {
+    for(int r=0;r<WorldShmSize;r++){
+      size_t size = bytes;
+      key_t key   = IPC_PRIVATE;
+      int flags = IPC_CREAT | SHM_R | SHM_W;
+#ifdef SHM_HUGETLB
+      if (Hugepages) flags|=SHM_HUGETLB;
+#endif
+      if ((shmids[r]= shmget(key,size, flags)) ==-1) {
+        int errsv = errno;
+        printf("Errno %d\n",errsv);
+        printf("key   %d\n",key);
+        printf("size  %lld\n",size);
+        printf("flags %d\n",flags);
+        perror("shmget");
+        exit(1);
+      }
+    }
+  }
+  MPI_Barrier(WorldShmComm);
+  MPI_Bcast(&shmids[0],WorldShmSize*sizeof(int),MPI_BYTE,0,WorldShmComm);
+  MPI_Barrier(WorldShmComm);
+
+  for(int r=0;r<WorldShmSize;r++){
+    WorldShmCommBufs[r] = (uint64_t *)shmat(shmids[r], NULL,0);
+    if (WorldShmCommBufs[r] == (uint64_t *)-1) {
+      perror("Shared memory attach failure");
+      shmctl(shmids[r], IPC_RMID, NULL);
+      exit(2);
+    }
+  }
+  MPI_Barrier(WorldShmComm);
+  ///////////////////////////////////
+  // Mark for clean up
+  ///////////////////////////////////
+  for(int r=0;r<WorldShmSize;r++){
+    shmctl(shmids[r], IPC_RMID,(struct shmid_ds *)NULL);
+  }
+  MPI_Barrier(WorldShmComm);
+
+  _ShmAlloc=1;
+  _ShmAllocBytes  = bytes;
+}
+#endif
+ 
 ////////////////////////////////////////////////////////////////////////////////////////////
 // Hugetlbfs mapping intended
 ////////////////////////////////////////////////////////////////////////////////////////////
 #ifdef GRID_MPI3_SHMMMAP
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
+  std::cout << "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<< GRID_SHM_PATH <<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
   //////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -191,7 +387,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
   WorldShmCommBufs.resize(WorldShmSize);
   
   ////////////////////////////////////////////////////////////////////////////////////////////
-  // Hugetlbf and others map filesystems as mappable huge pages
+  // Hugetlbfs and others map filesystems as mappable huge pages
   ////////////////////////////////////////////////////////////////////////////////////////////
   char shm_name [NAME_MAX];
   for(int r=0;r<WorldShmSize;r++){
@@ -218,6 +414,49 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     assert(((uint64_t)ptr&0x3F)==0);
     close(fd);
     WorldShmCommBufs[r] =ptr;
+    std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
+  }
+  _ShmAlloc=1;
+  _ShmAllocBytes  = bytes;
+};
+#endif // MMAP
+
+#ifdef GRID_MPI3_SHM_NONE
+void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
+{
+  std::cout << "SharedMemoryAllocate "<< bytes<< " MMAP anonymous implementation "<<std::endl;
+  assert(_ShmSetup==1);
+  assert(_ShmAlloc==0);
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  // allocate the shared windows for our group
+  //////////////////////////////////////////////////////////////////////////////////////////////////////////
+  MPI_Barrier(WorldShmComm);
+  WorldShmCommBufs.resize(WorldShmSize);
+  
+  ////////////////////////////////////////////////////////////////////////////////////////////
+  // Hugetlbf and others map filesystems as mappable huge pages
+  ////////////////////////////////////////////////////////////////////////////////////////////
+  char shm_name [NAME_MAX];
+  assert(WorldShmSize == 1);
+  for(int r=0;r<WorldShmSize;r++){
+    
+    int fd=-1;
+    int mmap_flag = MAP_SHARED |MAP_ANONYMOUS ;
+#ifdef MAP_POPULATE    
+    mmap_flag|=MAP_POPULATE;
+#endif
+#ifdef MAP_HUGETLB
+    if ( flags ) mmap_flag |= MAP_HUGETLB;
+#endif
+    void *ptr = (void *) mmap(NULL, bytes, PROT_READ | PROT_WRITE, mmap_flag,fd, 0); 
+    if ( ptr == (void *)MAP_FAILED ) {    
+      printf("mmap %s failed\n",shm_name);
+      perror("failed mmap");      assert(0);    
+    }
+    assert(((uint64_t)ptr&0x3F)==0);
+    close(fd);
+    WorldShmCommBufs[r] =ptr;
+    std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
   }
   _ShmAlloc=1;
   _ShmAllocBytes  = bytes;
@@ -232,6 +471,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 ////////////////////////////////////////////////////////////////////////////////////////////
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 { 
+  std::cout << "SharedMemoryAllocate "<< bytes<< " SHMOPEN implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0); 
   MPI_Barrier(WorldShmComm);
@@ -243,7 +483,8 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 	
       size_t size = bytes;
       
-      sprintf(shm_name,"/Grid_mpi3_shm_%d_%d",WorldNode,r);
+      struct passwd *pw = getpwuid (getuid());
+      sprintf(shm_name,"/Grid_%s_mpi3_shm_%d_%d",pw->pw_name,WorldNode,r);
       
       shm_unlink(shm_name);
       int fd=shm_open(shm_name,O_RDWR|O_CREAT,0666);
@@ -259,7 +500,11 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 #endif
       void * ptr =  mmap(NULL,size, PROT_READ | PROT_WRITE, mmap_flag, fd, 0);
       
-      if ( ptr == (void * )MAP_FAILED ) {       perror("failed mmap");      assert(0);    }
+      std::cout << "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< size<< "bytes)"<<std::endl;
+      if ( ptr == (void * )MAP_FAILED ) {       
+	perror("failed mmap");     
+	assert(0);    
+      }
       assert(((uint64_t)ptr&0x3F)==0);
       
       WorldShmCommBufs[r] =ptr;
@@ -274,7 +519,8 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 
       size_t size = bytes ;
       
-      sprintf(shm_name,"/Grid_mpi3_shm_%d_%d",WorldNode,r);
+      struct passwd *pw = getpwuid (getuid());
+      sprintf(shm_name,"/Grid_%s_mpi3_shm_%d_%d",pw->pw_name,WorldNode,r);
       
       int fd=shm_open(shm_name,O_RDWR,0666);
       if ( fd<0 ) {	perror("failed shm_open");	assert(0);      }
@@ -292,6 +538,9 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 }
 #endif
 
+
+
+
   ////////////////////////////////////////////////////////
   // Global shared functionality finished
   // Now move to per communicator functionality
@@ -318,11 +567,12 @@ void SharedMemory::SetCommunicator(Grid_MPI_Comm comm)
   heap_size = GlobalSharedMemory::ShmAllocBytes();
   for(int r=0;r<ShmSize;r++){
 
-    uint32_t sr = (r==ShmRank) ? GlobalSharedMemory::WorldRank : 0 ;
+    uint32_t wsr = (r==ShmRank) ? GlobalSharedMemory::WorldShmRank : 0 ;
 
-    MPI_Allreduce(MPI_IN_PLACE,&sr,1,MPI_UINT32_T,MPI_SUM,comm);
+    MPI_Allreduce(MPI_IN_PLACE,&wsr,1,MPI_UINT32_T,MPI_SUM,ShmComm);
 
-    ShmCommBufs[r] = GlobalSharedMemory::WorldShmCommBufs[sr];
+    ShmCommBufs[r] = GlobalSharedMemory::WorldShmCommBufs[wsr];
+    //    std::cout << "SetCommunicator ShmCommBufs ["<< r<< "] = "<< ShmCommBufs[r]<< "  wsr = "<<wsr<<std::endl;
   }
   ShmBufferFreeAll();
 
@@ -391,5 +641,12 @@ void *SharedMemory::ShmBufferTranslate(int rank,void * local_p)
     return (void *) remote;
   }
 }
+SharedMemory::~SharedMemory()
+{
+  int MPI_is_finalised;  MPI_Finalized(&MPI_is_finalised);
+  if ( !MPI_is_finalised ) { 
+    MPI_Comm_free(&ShmComm);
+  }
+};
 
 }

lib/communicator/SharedMemoryNone.cc

@@ -122,5 +122,7 @@ void *SharedMemory::ShmBufferTranslate(int rank,void * local_p)
 {
   return NULL;
 }
+SharedMemory::~SharedMemory()
+{};
 
 }

lib/cshift/Cshift_common.h

@@ -45,31 +45,33 @@ Gather_plane_simple (const Lattice<vobj> &rhs,commVector<vobj> &buffer,int dimen
   int so=plane*rhs._grid->_ostride[dimension]; // base offset for start of plane 
   int e1=rhs._grid->_slice_nblock[dimension];
   int e2=rhs._grid->_slice_block[dimension];
+  int ent = 0;
+
+  static std::vector<std::pair<int,int> > table; table.resize(e1*e2);
 
   int stride=rhs._grid->_slice_stride[dimension];
   if ( cbmask == 0x3 ) { 
-    parallel_for_nest2(int n=0;n<e1;n++){
+    for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
 	int o  = n*stride;
 	int bo = n*e2;
-	buffer[off+bo+b]=rhs._odata[so+o+b];
+	table[ent++] = std::pair<int,int>(off+bo+b,so+o+b);
       }
     }
   } else { 
      int bo=0;
-     std::vector<std::pair<int,int> > table;
      for(int n=0;n<e1;n++){
        for(int b=0;b<e2;b++){
 	 int o  = n*stride;
 	 int ocb=1<<rhs._grid->CheckerBoardFromOindex(o+b);
 	 if ( ocb &cbmask ) {
-	   table.push_back(std::pair<int,int> (bo++,o+b));
+	   table[ent++]=std::pair<int,int> (off+bo++,so+o+b);
 	 }
        }
      }
-     parallel_for(int i=0;i<table.size();i++){
-       buffer[off+table[i].first]=rhs._odata[so+table[i].second];
-     }
+  }
+  parallel_for(int i=0;i<ent;i++){
+    buffer[table[i].first]=rhs._odata[table[i].second];
   }
 }
 
@@ -140,31 +142,35 @@ template<class vobj> void Scatter_plane_simple (Lattice<vobj> &rhs,commVector<vo
   int e1=rhs._grid->_slice_nblock[dimension];
   int e2=rhs._grid->_slice_block[dimension];
   int stride=rhs._grid->_slice_stride[dimension];
-  
+
+  static std::vector<std::pair<int,int> > table; table.resize(e1*e2);
+  int ent    =0;
+
   if ( cbmask ==0x3 ) {
-    parallel_for_nest2(int n=0;n<e1;n++){
+
+    for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
 	int o   =n*rhs._grid->_slice_stride[dimension];
 	int bo  =n*rhs._grid->_slice_block[dimension];
-	rhs._odata[so+o+b]=buffer[bo+b];
+	table[ent++] = std::pair<int,int>(so+o+b,bo+b);
       }
     }
+
   } else { 
-    std::vector<std::pair<int,int> > table;
     int bo=0;
     for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
 	int o   =n*rhs._grid->_slice_stride[dimension];
 	int ocb=1<<rhs._grid->CheckerBoardFromOindex(o+b);// Could easily be a table lookup
 	if ( ocb & cbmask ) {
-	  table.push_back(std::pair<int,int> (so+o+b,bo++));
+	  table[ent++]=std::pair<int,int> (so+o+b,bo++);
 	}
       }
     }
-    parallel_for(int i=0;i<table.size();i++){
-       //       std::cout << "Rcv"<< table[i].first << " " << table[i].second << " " <<buffer[table[i].second]<<std::endl;
-       rhs._odata[table[i].first]=buffer[table[i].second];
-     }
+  }
+
+  parallel_for(int i=0;i<ent;i++){
+    rhs._odata[table[i].first]=buffer[table[i].second];
   }
 }
 
@@ -228,29 +234,32 @@ template<class vobj> void Copy_plane(Lattice<vobj>& lhs,const Lattice<vobj> &rhs
   int e1=rhs._grid->_slice_nblock[dimension]; // clearly loop invariant for icpc
   int e2=rhs._grid->_slice_block[dimension];
   int stride = rhs._grid->_slice_stride[dimension];
+  static std::vector<std::pair<int,int> > table; table.resize(e1*e2);
+  int ent=0;
+
   if(cbmask == 0x3 ){
-    parallel_for_nest2(int n=0;n<e1;n++){
+    for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
- 
         int o =n*stride+b;
-  	//lhs._odata[lo+o]=rhs._odata[ro+o];
-	vstream(lhs._odata[lo+o],rhs._odata[ro+o]);
+	table[ent++] = std::pair<int,int>(lo+o,ro+o);
       }
     }
   } else { 
-    parallel_for_nest2(int n=0;n<e1;n++){
+    for(int n=0;n<e1;n++){
       for(int b=0;b<e2;b++){
- 
         int o =n*stride+b;
         int ocb=1<<lhs._grid->CheckerBoardFromOindex(o);
         if ( ocb&cbmask ) {
-  	//lhs._odata[lo+o]=rhs._odata[ro+o];
-	  vstream(lhs._odata[lo+o],rhs._odata[ro+o]);
+	  table[ent++] = std::pair<int,int>(lo+o,ro+o);
 	}
       }
     }
   }
-  
+
+  parallel_for(int i=0;i<ent;i++){
+    lhs._odata[table[i].first]=rhs._odata[table[i].second];
+  }
+
 }
 
 template<class vobj> void Copy_plane_permute(Lattice<vobj>& lhs,const Lattice<vobj> &rhs, int dimension,int lplane,int rplane,int cbmask,int permute_type)
@@ -269,16 +278,28 @@ template<class vobj> void Copy_plane_permute(Lattice<vobj>& lhs,const Lattice<vo
   int e2=rhs._grid->_slice_block [dimension];
   int stride = rhs._grid->_slice_stride[dimension];
 
-  parallel_for_nest2(int n=0;n<e1;n++){
-  for(int b=0;b<e2;b++){
+  static std::vector<std::pair<int,int> > table;  table.resize(e1*e2);
+  int ent=0;
 
+  double t_tab,t_perm;
+  if ( cbmask == 0x3 ) {
+    for(int n=0;n<e1;n++){
+    for(int b=0;b<e2;b++){
+      int o  =n*stride;
+      table[ent++] = std::pair<int,int>(lo+o+b,ro+o+b);
+    }}
+  } else {
+    for(int n=0;n<e1;n++){
+    for(int b=0;b<e2;b++){
       int o  =n*stride;
       int ocb=1<<lhs._grid->CheckerBoardFromOindex(o+b);
-      if ( ocb&cbmask ) {
-	permute(lhs._odata[lo+o+b],rhs._odata[ro+o+b],permute_type);
-      }
+      if ( ocb&cbmask ) table[ent++] = std::pair<int,int>(lo+o+b,ro+o+b);
+    }}
+  }
 
-  }}
+  parallel_for(int i=0;i<ent;i++){
+    permute(lhs._odata[table[i].first],rhs._odata[table[i].second],permute_type);
+  }
 }
 
 //////////////////////////////////////////////////////
@@ -291,6 +312,8 @@ template<class vobj> void Cshift_local(Lattice<vobj>& ret,const Lattice<vobj> &r
   sshift[0] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Even);
   sshift[1] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Odd);
 
+  double t_local;
+  
   if ( sshift[0] == sshift[1] ) {
     Cshift_local(ret,rhs,dimension,shift,0x3);
   } else {
@@ -299,7 +322,7 @@ template<class vobj> void Cshift_local(Lattice<vobj>& ret,const Lattice<vobj> &r
   }
 }
 
-template<class vobj> Lattice<vobj> Cshift_local(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
+template<class vobj> void Cshift_local(Lattice<vobj> &ret,const Lattice<vobj> &rhs,int dimension,int shift,int cbmask)
 {
   GridBase *grid = rhs._grid;
   int fd = grid->_fdimensions[dimension];
@@ -325,11 +348,7 @@ template<class vobj> Lattice<vobj> Cshift_local(Lattice<vobj> &ret,const Lattice
 
     int sshift = grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,cb);
     int sx     = (x+sshift)%rd;
-
-    // FIXME : This must change where we have a 
-    // Rotate slice.
     
-    // Document how this works ; why didn't I do this when I first wrote it...
     // wrap is whether sshift > rd.
     //  num is sshift mod rd.
     // 
@@ -365,10 +384,8 @@ template<class vobj> Lattice<vobj> Cshift_local(Lattice<vobj> &ret,const Lattice
 
     if ( permute_slice ) Copy_plane_permute(ret,rhs,dimension,x,sx,cbmask,permute_type_dist);
     else                 Copy_plane(ret,rhs,dimension,x,sx,cbmask); 
-
   
   }
-  return ret;
 }
 }
 #endif

lib/cshift/Cshift_mpi.h

@@ -54,13 +54,13 @@ template<class vobj> Lattice<vobj> Cshift(const Lattice<vobj> &rhs,int dimension
 
 
   if ( !comm_dim ) {
-    //    std::cout << "Cshift_local" <<std::endl;
+    //std::cout << "CSHIFT: Cshift_local" <<std::endl;
     Cshift_local(ret,rhs,dimension,shift); // Handles checkerboarding
   } else if ( splice_dim ) {
-    //    std::cout << "Cshift_comms_simd" <<std::endl;
+    //std::cout << "CSHIFT: Cshift_comms_simd call - splice_dim = " << splice_dim << " shift " << shift << " dimension = " << dimension << std::endl;
     Cshift_comms_simd(ret,rhs,dimension,shift);
   } else {
-    //    std::cout << "Cshift_comms" <<std::endl;
+    //std::cout << "CSHIFT: Cshift_comms" <<std::endl;
     Cshift_comms(ret,rhs,dimension,shift);
   }
   return ret;
@@ -91,9 +91,12 @@ template<class vobj> void Cshift_comms_simd(Lattice<vobj>& ret,const Lattice<vob
   sshift[0] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Even);
   sshift[1] = rhs._grid->CheckerBoardShiftForCB(rhs.checkerboard,dimension,shift,Odd);
 
+  //std::cout << "Cshift_comms_simd dim "<<dimension<<"cb "<<rhs.checkerboard<<"shift "<<shift<<" sshift " << sshift[0]<<" "<<sshift[1]<<std::endl;
   if ( sshift[0] == sshift[1] ) {
+    //std::cout << "Single pass Cshift_comms" <<std::endl;
     Cshift_comms_simd(ret,rhs,dimension,shift,0x3);
   } else {
+    //std::cout << "Two pass Cshift_comms" <<std::endl;
     Cshift_comms_simd(ret,rhs,dimension,shift,0x1);// if checkerboard is unfavourable take two passes
     Cshift_comms_simd(ret,rhs,dimension,shift,0x2);// both with block stride loop iteration
   }
@@ -175,6 +178,10 @@ template<class vobj> void  Cshift_comms_simd(Lattice<vobj> &ret,const Lattice<vo
   int simd_layout     = grid->_simd_layout[dimension];
   int comm_dim        = grid->_processors[dimension] >1 ;
 
+  //std::cout << "Cshift_comms_simd dim "<< dimension << " fd "<<fd<<" rd "<<rd
+  //    << " ld "<<ld<<" pd " << pd<<" simd_layout "<<simd_layout 
+  //    << " comm_dim " << comm_dim << " cbmask " << cbmask <<std::endl;
+
   assert(comm_dim==1);
   assert(simd_layout==2);
   assert(shift>=0);

lib/lattice/Lattice_arith.h

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

lib/lattice/Lattice_base.h

@@ -256,9 +256,42 @@ public:
       _odata[ss]=r._odata[ss];
     }  	
   }
+
+  Lattice(Lattice&& r){ // move constructor
+    _grid = r._grid;
+    checkerboard = r.checkerboard;
+    _odata=std::move(r._odata);
+  }
   
-  
-  
+  inline Lattice<vobj> & operator = (Lattice<vobj> && r)
+  {
+    _grid        = r._grid;
+    checkerboard = r.checkerboard;
+    _odata       =std::move(r._odata);
+    return *this;
+  }
+
+  inline Lattice<vobj> & operator = (const Lattice<vobj> & r){
+    _grid        = r._grid;
+    checkerboard = r.checkerboard;
+    _odata.resize(_grid->oSites());// essential
+    
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
+      _odata[ss]=r._odata[ss];
+    }  	
+    return *this;
+  }
+
+  template<class robj> strong_inline Lattice<vobj> & operator = (const Lattice<robj> & r){
+    this->checkerboard = r.checkerboard;
+    conformable(*this,r);
+    
+    parallel_for(int ss=0;ss<_grid->oSites();ss++){
+      this->_odata[ss]=r._odata[ss];
+    }
+    return *this;
+  }
+
   virtual ~Lattice(void) = default;
     
   void reset(GridBase* grid) {
@@ -277,15 +310,6 @@ public:
     return *this;
   }
   
-  template<class robj> strong_inline Lattice<vobj> & operator = (const Lattice<robj> & r){
-    this->checkerboard = r.checkerboard;
-    conformable(*this,r);
-    
-    parallel_for(int ss=0;ss<_grid->oSites();ss++){
-      this->_odata[ss]=r._odata[ss];
-    }
-    return *this;
-  }
   
   // *=,+=,-= operators inherit behvour from correspond */+/- operation
   template<class T> strong_inline Lattice<vobj> &operator *=(const T &r) {

lib/lattice/Lattice_comparison_utils.h

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

lib/lattice/Lattice_coordinate.h

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

lib/lattice/Lattice_reduction.h

@@ -33,7 +33,7 @@ namespace Grid {
   // Deterministic Reduction operations
   ////////////////////////////////////////////////////////////////////////////////////////////////////
 template<class vobj> inline RealD norm2(const Lattice<vobj> &arg){
-  ComplexD nrm = innerProduct(arg,arg);
+  auto nrm = innerProduct(arg,arg);
   return std::real(nrm); 
 }
 
@@ -43,31 +43,84 @@ inline ComplexD innerProduct(const Lattice<vobj> &left,const Lattice<vobj> &righ
 {
   typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_typeD vector_type;
-  scalar_type  nrm;
-  
   GridBase *grid = left._grid;
-  
-  std::vector<vector_type,alignedAllocator<vector_type> > sumarray(grid->SumArraySize());
-  
+  const int pad = 8;
+
+  ComplexD  inner;
+  Vector<ComplexD> sumarray(grid->SumArraySize()*pad);
+
   parallel_for(int thr=0;thr<grid->SumArraySize();thr++){
     int nwork, mywork, myoff;
     GridThread::GetWork(left._grid->oSites(),thr,mywork,myoff);
     
-    decltype(innerProductD(left._odata[0],right._odata[0])) vnrm=zero; // private to thread; sub summation
+    decltype(innerProductD(left._odata[0],right._odata[0])) vinner=zero; // private to thread; sub summation
     for(int ss=myoff;ss<mywork+myoff; ss++){
-      vnrm = vnrm + innerProductD(left._odata[ss],right._odata[ss]);
+      vinner = vinner + innerProductD(left._odata[ss],right._odata[ss]);
     }
-    sumarray[thr]=TensorRemove(vnrm) ;
+    // All threads sum across SIMD; reduce serial work at end
+    // one write per cacheline with streaming store
+    ComplexD tmp = Reduce(TensorRemove(vinner)) ;
+    vstream(sumarray[thr*pad],tmp);
   }
   
-  vector_type vvnrm; vvnrm=zero;  // sum across threads
+  inner=0.0;
   for(int i=0;i<grid->SumArraySize();i++){
-    vvnrm = vvnrm+sumarray[i];
+    inner = inner+sumarray[i*pad];
   } 
-  nrm = Reduce(vvnrm);// sum across simd
-  right._grid->GlobalSum(nrm);
-  return nrm;
+  right._grid->GlobalSum(inner);
+  return inner;
 }
+
+/////////////////////////
+// Fast axpby_norm
+// z = a x + b y
+// return norm z
+/////////////////////////
+template<class sobj,class vobj> strong_inline RealD 
+axpy_norm_fast(Lattice<vobj> &z,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &y) 
+{
+  sobj one(1.0);
+  return axpby_norm_fast(z,a,one,x,y);
+}
+
+template<class sobj,class vobj> strong_inline RealD 
+axpby_norm_fast(Lattice<vobj> &z,sobj a,sobj b,const Lattice<vobj> &x,const Lattice<vobj> &y) 
+{
+  const int pad = 8;
+  z.checkerboard = x.checkerboard;
+  conformable(z,x);
+  conformable(x,y);
+
+  typedef typename vobj::scalar_type scalar_type;
+  typedef typename vobj::vector_typeD vector_type;
+  RealD  nrm;
+  
+  GridBase *grid = x._grid;
+  
+  Vector<RealD> sumarray(grid->SumArraySize()*pad);
+  
+  parallel_for(int thr=0;thr<grid->SumArraySize();thr++){
+    int nwork, mywork, myoff;
+    GridThread::GetWork(x._grid->oSites(),thr,mywork,myoff);
+    
+    // private to thread; sub summation
+    decltype(innerProductD(z._odata[0],z._odata[0])) vnrm=zero; 
+    for(int ss=myoff;ss<mywork+myoff; ss++){
+      vobj tmp = a*x._odata[ss]+b*y._odata[ss];
+      vnrm = vnrm + innerProductD(tmp,tmp);
+      vstream(z._odata[ss],tmp);
+    }
+    vstream(sumarray[thr*pad],real(Reduce(TensorRemove(vnrm)))) ;
+  }
+  
+  nrm = 0.0; // sum across threads; linear in thread count but fast
+  for(int i=0;i<grid->SumArraySize();i++){
+    nrm = nrm+sumarray[i*pad];
+  } 
+  z._grid->GlobalSum(nrm);
+  return nrm; 
+}
+
  
 template<class Op,class T1>
 inline auto sum(const LatticeUnaryExpression<Op,T1> & expr)

lib/lattice/Lattice_rng.h

@@ -158,10 +158,19 @@ namespace Grid {
       // tens of seconds per trajectory so this is clean in all reasonable cases,
       // and margin of safety is orders of magnitude.
       // We could hack Sitmo to skip in the higher order words of state if necessary
+      //
+      // Replace with 2^30 ; avoid problem on large volumes
+      //
       /////////////////////////////////////////////////////////////////////////////////////
       //      uint64_t skip = site+1;  //   Old init Skipped then drew.  Checked compat with faster init
+      const int shift = 30;
+
       uint64_t skip = site;
-      skip = skip<<40;
+
+      skip = skip<<shift;
+
+      assert((skip >> shift)==site); // check for overflow
+
       eng.discard(skip);
       //      std::cout << " Engine  " <<site << " state " <<eng<<std::endl;
     } 

lib/lattice/Lattice_transfer.h

@@ -599,6 +599,51 @@ unvectorizeToLexOrdArray(std::vector<sobj> &out, const Lattice<vobj> &in)
     extract1(in_vobj, out_ptrs, 0);
   }
 }
+
+template<typename vobj, typename sobj>
+typename std::enable_if<isSIMDvectorized<vobj>::value && !isSIMDvectorized<sobj>::value, void>::type 
+unvectorizeToRevLexOrdArray(std::vector<sobj> &out, const Lattice<vobj> &in)
+{
+
+  typedef typename vobj::vector_type vtype;
+  
+  GridBase* in_grid = in._grid;
+  out.resize(in_grid->lSites());
+  
+  int ndim = in_grid->Nd();
+  int in_nsimd = vtype::Nsimd();
+
+  std::vector<std::vector<int> > in_icoor(in_nsimd);
+      
+  for(int lane=0; lane < in_nsimd; lane++){
+    in_icoor[lane].resize(ndim);
+    in_grid->iCoorFromIindex(in_icoor[lane], lane);
+  }
+  
+  parallel_for(int in_oidx = 0; in_oidx < in_grid->oSites(); in_oidx++){ //loop over outer index
+    //Assemble vector of pointers to output elements
+    std::vector<sobj*> out_ptrs(in_nsimd);
+
+    std::vector<int> in_ocoor(ndim);
+    in_grid->oCoorFromOindex(in_ocoor, in_oidx);
+
+    std::vector<int> lcoor(in_grid->Nd());
+      
+    for(int lane=0; lane < in_nsimd; lane++){
+      for(int mu=0;mu<ndim;mu++)
+	lcoor[mu] = in_ocoor[mu] + in_grid->_rdimensions[mu]*in_icoor[lane][mu];
+
+      int lex;
+      Lexicographic::IndexFromCoorReversed(lcoor, lex, in_grid->_ldimensions);
+      out_ptrs[lane] = &out[lex];
+    }
+    
+    //Unpack into those ptrs
+    const vobj & in_vobj = in._odata[in_oidx];
+    extract1(in_vobj, out_ptrs, 0);
+  }
+}
+
 //Copy SIMD-vectorized lattice to array of scalar objects in lexicographic order
 template<typename vobj, typename sobj>
 typename std::enable_if<isSIMDvectorized<vobj>::value 
@@ -648,10 +693,59 @@ vectorizeFromLexOrdArray( std::vector<sobj> &in, Lattice<vobj> &out)
   }
 }
 
+template<typename vobj, typename sobj>
+typename std::enable_if<isSIMDvectorized<vobj>::value 
+                    && !isSIMDvectorized<sobj>::value, void>::type 
+vectorizeFromRevLexOrdArray( std::vector<sobj> &in, Lattice<vobj> &out)
+{
+
+  typedef typename vobj::vector_type vtype;
+  
+  GridBase* grid = out._grid;
+  assert(in.size()==grid->lSites());
+  
+  int ndim     = grid->Nd();
+  int nsimd    = vtype::Nsimd();
+
+  std::vector<std::vector<int> > icoor(nsimd);
+      
+  for(int lane=0; lane < nsimd; lane++){
+    icoor[lane].resize(ndim);
+    grid->iCoorFromIindex(icoor[lane],lane);
+  }
+  
+  parallel_for(uint64_t oidx = 0; oidx < grid->oSites(); oidx++){ //loop over outer index
+    //Assemble vector of pointers to output elements
+    std::vector<sobj*> ptrs(nsimd);
+
+    std::vector<int> ocoor(ndim);
+    grid->oCoorFromOindex(ocoor, oidx);
+
+    std::vector<int> lcoor(grid->Nd());
+      
+    for(int lane=0; lane < nsimd; lane++){
+
+      for(int mu=0;mu<ndim;mu++){
+	lcoor[mu] = ocoor[mu] + grid->_rdimensions[mu]*icoor[lane][mu];
+      }
+
+      int lex;
+      Lexicographic::IndexFromCoorReversed(lcoor, lex, grid->_ldimensions);
+      ptrs[lane] = &in[lex];
+    }
+    
+    //pack from those ptrs
+    vobj vecobj;
+    merge1(vecobj, ptrs, 0);
+    out._odata[oidx] = vecobj; 
+  }
+}
+
 //Convert a Lattice from one precision to another
 template<class VobjOut, class VobjIn>
 void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in){
   assert(out._grid->Nd() == in._grid->Nd());
+  assert(out._grid->FullDimensions() == in._grid->FullDimensions());
   out.checkerboard = in.checkerboard;
   GridBase *in_grid=in._grid;
   GridBase *out_grid = out._grid;

lib/parallelIO/BinaryIO.h

@@ -91,7 +91,7 @@ class BinaryIO {
     typedef typename vobj::scalar_object sobj;
 
     GridBase *grid = lat._grid;
-    int lsites = grid->lSites();
+    uint64_t lsites = grid->lSites();
 
     std::vector<sobj> scalardata(lsites); 
     unvectorizeToLexOrdArray(scalardata,lat);    
@@ -110,11 +110,11 @@ class BinaryIO {
       lsites = 1;
     }
 
-    #pragma omp parallel
+PARALLEL_REGION
     {
       uint32_t nersc_csum_thr = 0;
 
-      #pragma omp for
+PARALLEL_FOR_LOOP_INTERN
       for (uint64_t local_site = 0; local_site < lsites; local_site++)
       {
         uint32_t *site_buf = (uint32_t *)&fbuf[local_site];
@@ -124,7 +124,7 @@ class BinaryIO {
         }
       }
 
-      #pragma omp critical
+PARALLEL_CRITICAL
       {
         nersc_csum += nersc_csum_thr;
       }
@@ -146,21 +146,23 @@ class BinaryIO {
     std::vector<int> local_start =grid->LocalStarts();
     std::vector<int> global_vol  =grid->FullDimensions();
 
-#pragma omp parallel
+PARALLEL_REGION
     { 
       std::vector<int> coor(nd);
       uint32_t scidac_csuma_thr=0;
       uint32_t scidac_csumb_thr=0;
       uint32_t site_crc=0;
 
-#pragma omp for
+PARALLEL_FOR_LOOP_INTERN
       for(uint64_t local_site=0;local_site<lsites;local_site++){
 
 	uint32_t * site_buf = (uint32_t *)&fbuf[local_site];
 
 	/* 
 	 * Scidac csum  is rather more heavyweight
+	 * FIXME -- 128^3 x 256 x 16 will overflow.
 	 */
+	
 	int global_site;
 
 	Lexicographic::CoorFromIndex(coor,local_site,local_vol);
@@ -181,7 +183,7 @@ class BinaryIO {
 	scidac_csumb_thr ^= site_crc<<gsite31 | site_crc>>(32-gsite31);
       }
 
-#pragma omp critical
+PARALLEL_CRITICAL
       {
 	scidac_csuma^= scidac_csuma_thr;
 	scidac_csumb^= scidac_csumb_thr;
@@ -261,7 +263,7 @@ class BinaryIO {
 			      GridBase *grid,
 			      std::vector<fobj> &iodata,
 			      std::string file,
-			      Integer offset,
+			      uint64_t& offset,
 			      const std::string &format, int control,
 			      uint32_t &nersc_csum,
 			      uint32_t &scidac_csuma,
@@ -370,7 +372,7 @@ class BinaryIO {
 	std::cout << GridLogMessage <<"IOobject: C++ read I/O " << file << " : "
                   << iodata.size() * sizeof(fobj) << " bytes" << std::endl;
         std::ifstream fin;
-        fin.open(file, std::ios::binary | std::ios::in);
+	fin.open(file, std::ios::binary | std::ios::in);
         if (control & BINARYIO_MASTER_APPEND)
         {
           fin.seekg(-sizeof(fobj), fin.end);
@@ -429,14 +431,20 @@ class BinaryIO {
           MPI_Abort(MPI_COMM_WORLD, 1); //assert(ierr == 0);
         }
 
-        std::cout << GridLogDebug << "MPI read I/O set view " << file << std::endl;
+        std::cout << GridLogDebug << "MPI write I/O set view " << file << std::endl;
         ierr = MPI_File_set_view(fh, disp, mpiObject, fileArray, "native", MPI_INFO_NULL);
         assert(ierr == 0);
 
-        std::cout << GridLogDebug << "MPI read I/O write all " << file << std::endl;
+        std::cout << GridLogDebug << "MPI write I/O write all " << file << std::endl;
         ierr = MPI_File_write_all(fh, &iodata[0], 1, localArray, &status);
         assert(ierr == 0);
 
+        MPI_Offset os;
+        MPI_File_get_position(fh, &os);
+        MPI_File_get_byte_offset(fh, os, &disp);
+        offset = disp;
+
+
         MPI_File_close(&fh);
         MPI_Type_free(&fileArray);
         MPI_Type_free(&localArray);
@@ -446,16 +454,20 @@ class BinaryIO {
       } else { 
 
         std::cout << GridLogMessage << "IOobject: C++ write I/O " << file << " : "
-                  << iodata.size() * sizeof(fobj) << " bytes" << std::endl;
+                  << iodata.size() * sizeof(fobj) << " bytes and offset " << offset << std::endl;
         
 	std::ofstream fout; 
 	fout.exceptions ( std::fstream::failbit | std::fstream::badbit );
 	try {
-	  fout.open(file,std::ios::binary|std::ios::out|std::ios::in);
+	  if (offset) { // Must already exist and contain data
+	    fout.open(file,std::ios::binary|std::ios::out|std::ios::in);
+	  } else {     // Allow create
+	    fout.open(file,std::ios::binary|std::ios::out);
+	  }
 	} catch (const std::fstream::failure& exc) {
 	  std::cout << GridLogError << "Error in opening the file " << file << " for output" <<std::endl;
 	  std::cout << GridLogError << "Exception description: " << exc.what() << std::endl;
-	  std::cout << GridLogError << "Probable cause: wrong path, inaccessible location "<< std::endl;
+	  //	  std::cout << GridLogError << "Probable cause: wrong path, inaccessible location "<< std::endl;
 #ifdef USE_MPI_IO
 	  MPI_Abort(MPI_COMM_WORLD,1);
 #else
@@ -489,6 +501,7 @@ class BinaryIO {
 	  exit(1);
 #endif
 	}
+  offset  = fout.tellp();
 	fout.close();
       }
       timer.Stop();
@@ -523,7 +536,7 @@ class BinaryIO {
   static inline void readLatticeObject(Lattice<vobj> &Umu,
 				       std::string file,
 				       munger munge,
-				       Integer offset,
+				       uint64_t offset,
 				       const std::string &format,
 				       uint32_t &nersc_csum,
 				       uint32_t &scidac_csuma,
@@ -533,7 +546,7 @@ class BinaryIO {
     typedef typename vobj::Realified::scalar_type word;    word w=0;
 
     GridBase *grid = Umu._grid;
-    int lsites = grid->lSites();
+    uint64_t lsites = grid->lSites();
 
     std::vector<sobj> scalardata(lsites); 
     std::vector<fobj>     iodata(lsites); // Munge, checksum, byte order in here
@@ -544,7 +557,7 @@ class BinaryIO {
     GridStopWatch timer; 
     timer.Start();
 
-    parallel_for(int x=0;x<lsites;x++) munge(iodata[x], scalardata[x]);
+    parallel_for(uint64_t x=0;x<lsites;x++) munge(iodata[x], scalardata[x]);
 
     vectorizeFromLexOrdArray(scalardata,Umu);    
     grid->Barrier();
@@ -560,7 +573,7 @@ class BinaryIO {
     static inline void writeLatticeObject(Lattice<vobj> &Umu,
 					  std::string file,
 					  munger munge,
-					  Integer offset,
+					  uint64_t offset,
 					  const std::string &format,
 					  uint32_t &nersc_csum,
 					  uint32_t &scidac_csuma,
@@ -569,7 +582,7 @@ class BinaryIO {
     typedef typename vobj::scalar_object sobj;
     typedef typename vobj::Realified::scalar_type word;    word w=0;
     GridBase *grid = Umu._grid;
-    int lsites = grid->lSites();
+    uint64_t lsites = grid->lSites();
 
     std::vector<sobj> scalardata(lsites); 
     std::vector<fobj>     iodata(lsites); // Munge, checksum, byte order in here
@@ -580,7 +593,7 @@ class BinaryIO {
     GridStopWatch timer; timer.Start();
     unvectorizeToLexOrdArray(scalardata,Umu);    
 
-    parallel_for(int x=0;x<lsites;x++) munge(scalardata[x],iodata[x]);
+    parallel_for(uint64_t x=0;x<lsites;x++) munge(scalardata[x],iodata[x]);
 
     grid->Barrier();
     timer.Stop();
@@ -597,7 +610,7 @@ class BinaryIO {
   static inline void readRNG(GridSerialRNG &serial,
 			     GridParallelRNG &parallel,
 			     std::string file,
-			     Integer offset,
+			     uint64_t offset,
 			     uint32_t &nersc_csum,
 			     uint32_t &scidac_csuma,
 			     uint32_t &scidac_csumb)
@@ -610,8 +623,8 @@ class BinaryIO {
     std::string format = "IEEE32BIG";
 
     GridBase *grid = parallel._grid;
-    int gsites = grid->gSites();
-    int lsites = grid->lSites();
+    uint64_t gsites = grid->gSites();
+    uint64_t lsites = grid->lSites();
 
     uint32_t nersc_csum_tmp   = 0;
     uint32_t scidac_csuma_tmp = 0;
@@ -626,7 +639,7 @@ class BinaryIO {
 	     nersc_csum,scidac_csuma,scidac_csumb);
 
     timer.Start();
-    parallel_for(int lidx=0;lidx<lsites;lidx++){
+    parallel_for(uint64_t lidx=0;lidx<lsites;lidx++){
       std::vector<RngStateType> tmp(RngStateCount);
       std::copy(iodata[lidx].begin(),iodata[lidx].end(),tmp.begin());
       parallel.SetState(tmp,lidx);
@@ -659,7 +672,7 @@ class BinaryIO {
   static inline void writeRNG(GridSerialRNG &serial,
 			      GridParallelRNG &parallel,
 			      std::string file,
-			      Integer offset,
+			      uint64_t offset,
 			      uint32_t &nersc_csum,
 			      uint32_t &scidac_csuma,
 			      uint32_t &scidac_csumb)
@@ -670,8 +683,8 @@ class BinaryIO {
     typedef std::array<RngStateType,RngStateCount> RNGstate;
 
     GridBase *grid = parallel._grid;
-    int gsites = grid->gSites();
-    int lsites = grid->lSites();
+    uint64_t gsites = grid->gSites();
+    uint64_t lsites = grid->lSites();
 
     uint32_t nersc_csum_tmp;
     uint32_t scidac_csuma_tmp;
@@ -684,7 +697,7 @@ class BinaryIO {
 
     timer.Start();
     std::vector<RNGstate> iodata(lsites);
-    parallel_for(int lidx=0;lidx<lsites;lidx++){
+    parallel_for(uint64_t lidx=0;lidx<lsites;lidx++){
       std::vector<RngStateType> tmp(RngStateCount);
       parallel.GetState(tmp,lidx);
       std::copy(tmp.begin(),tmp.end(),iodata[lidx].begin());
@@ -693,7 +706,6 @@ class BinaryIO {
 
     IOobject(w,grid,iodata,file,offset,format,BINARYIO_WRITE|BINARYIO_LEXICOGRAPHIC,
 	     nersc_csum,scidac_csuma,scidac_csumb);
-
     iodata.resize(1);
     {
       std::vector<RngStateType> tmp(RngStateCount);

lib/parallelIO/IldgIO.h

@@ -182,6 +182,11 @@ class GridLimeReader : public BinaryIO {
    {
      filename= _filename;
      File = fopen(filename.c_str(), "r");
+     if (File == nullptr)
+     {
+       std::cerr << "cannot open file '" << filename << "'" << std::endl;
+       abort();
+     }
      LimeR = limeCreateReader(File);
    }
    /////////////////////////////////////////////
@@ -248,7 +253,6 @@ class GridLimeReader : public BinaryIO {
   template<class serialisable_object>
   void readLimeObject(serialisable_object &object,std::string object_name,std::string record_name)
   {
-    std::string xmlstring;
     // should this be a do while; can we miss a first record??
     while ( limeReaderNextRecord(LimeR) == LIME_SUCCESS ) { 
 
@@ -262,7 +266,8 @@ class GridLimeReader : public BinaryIO {
 	limeReaderReadData((void *)&xmlc[0], &nbytes, LimeR);    
 	//	std::cout << GridLogMessage<< " readLimeObject matches XML " << &xmlc[0] <<std::endl;
 
-	XmlReader RD(&xmlc[0],"");
+  std::string xmlstring(&xmlc[0]);
+	XmlReader RD(xmlstring, true, "");
 	read(RD,object_name,object);
 	return;
       }
@@ -272,8 +277,10 @@ class GridLimeReader : public BinaryIO {
   }
 };
 
-class GridLimeWriter : public BinaryIO {
+class GridLimeWriter : public BinaryIO 
+{
  public:
+
    ///////////////////////////////////////////////////
    // FIXME: format for RNG? Now just binary out instead
    // FIXME: collective calls or not ?
@@ -282,17 +289,24 @@ class GridLimeWriter : public BinaryIO {
    FILE       *File;
    LimeWriter *LimeW;
    std::string filename;
-
+   bool        boss_node;
+   GridLimeWriter( bool isboss = true) {
+     boss_node = isboss;
+   }
    void open(const std::string &_filename) { 
      filename= _filename;
-     File = fopen(filename.c_str(), "w");
-     LimeW = limeCreateWriter(File); assert(LimeW != NULL );
+     if ( boss_node ) {
+       File = fopen(filename.c_str(), "w");
+       LimeW = limeCreateWriter(File); assert(LimeW != NULL );
+     }
    }
    /////////////////////////////////////////////
    // Close the file
    /////////////////////////////////////////////
    void close(void) {
-     fclose(File);
+     if ( boss_node ) {
+       fclose(File);
+     }
      //  limeDestroyWriter(LimeW);
    }
   ///////////////////////////////////////////////////////
@@ -300,10 +314,12 @@ class GridLimeWriter : public BinaryIO {
   ///////////////////////////////////////////////////////
   int createLimeRecordHeader(std::string message, int MB, int ME, size_t PayloadSize)
   {
-    LimeRecordHeader *h;
-    h = limeCreateHeader(MB, ME, const_cast<char *>(message.c_str()), PayloadSize);
-    assert(limeWriteRecordHeader(h, LimeW) >= 0);
-    limeDestroyHeader(h);
+    if ( boss_node ) {
+      LimeRecordHeader *h;
+      h = limeCreateHeader(MB, ME, const_cast<char *>(message.c_str()), PayloadSize);
+      assert(limeWriteRecordHeader(h, LimeW) >= 0);
+      limeDestroyHeader(h);
+    }
     return LIME_SUCCESS;
   }
   ////////////////////////////////////////////
@@ -312,65 +328,99 @@ class GridLimeWriter : public BinaryIO {
   template<class serialisable_object>
   void writeLimeObject(int MB,int ME,serialisable_object &object,std::string object_name,std::string record_name)
   {
-    std::string xmlstring;
-    {
-      XmlWriter WR("","");
-      write(WR,object_name,object);
-      xmlstring = WR.XmlString();
+    if ( boss_node ) {
+      std::string xmlstring;
+      {
+	XmlWriter WR("","");
+	write(WR,object_name,object);
+	xmlstring = WR.XmlString();
+      }
+      //    std::cout << "WriteLimeObject" << record_name <<std::endl;
+      uint64_t nbytes = xmlstring.size();
+      //    std::cout << " xmlstring "<< nbytes<< " " << xmlstring <<std::endl;
+      int err;
+      LimeRecordHeader *h = limeCreateHeader(MB, ME,const_cast<char *>(record_name.c_str()), nbytes); 
+      assert(h!= NULL);
+      
+      err=limeWriteRecordHeader(h, LimeW);                    assert(err>=0);
+      err=limeWriteRecordData(&xmlstring[0], &nbytes, LimeW); assert(err>=0);
+      err=limeWriterCloseRecord(LimeW);                       assert(err>=0);
+      limeDestroyHeader(h);
     }
-    //    std::cout << "WriteLimeObject" << record_name <<std::endl;
-    uint64_t nbytes = xmlstring.size();
-    //    std::cout << " xmlstring "<< nbytes<< " " << xmlstring <<std::endl;
-    int err;
-    LimeRecordHeader *h = limeCreateHeader(MB, ME,const_cast<char *>(record_name.c_str()), nbytes); 
-    assert(h!= NULL);
-
-    err=limeWriteRecordHeader(h, LimeW);                    assert(err>=0);
-    err=limeWriteRecordData(&xmlstring[0], &nbytes, LimeW); assert(err>=0);
-    err=limeWriterCloseRecord(LimeW);                       assert(err>=0);
-    limeDestroyHeader(h);
-    //    std::cout << " File offset is now"<<ftello(File) << std::endl;
   }
-  ////////////////////////////////////////////
+  ////////////////////////////////////////////////////
   // Write a generic lattice field and csum
-  ////////////////////////////////////////////
+  // This routine is Collectively called by all nodes
+  // in communicator used by the field._grid
+  ////////////////////////////////////////////////////
   template<class vobj>
   void writeLimeLatticeBinaryObject(Lattice<vobj> &field,std::string record_name)
   {
-    ////////////////////////////////////////////
-    // Create record header
-    ////////////////////////////////////////////
-    typedef typename vobj::scalar_object sobj;
-    int err;
-    uint32_t nersc_csum,scidac_csuma,scidac_csumb;
-    uint64_t PayloadSize = sizeof(sobj) * field._grid->_gsites;
-    createLimeRecordHeader(record_name, 0, 0, PayloadSize);
-
-    //    std::cout << "W sizeof(sobj)"      <<sizeof(sobj)<<std::endl;
-    //    std::cout << "W Gsites "           <<field._grid->_gsites<<std::endl;
-    //    std::cout << "W Payload expected " <<PayloadSize<<std::endl;
-
     ////////////////////////////////////////////////////////////////////
     // NB: FILE and iostream are jointly writing disjoint sequences in the
     // the same file through different file handles (integer units).
     // 
     // These are both buffered, so why I think this code is right is as follows.
     //
-    // i)  write record header to FILE *File, telegraphing the size. 
-    // ii) ftello reads the offset from FILE *File .
+    // i)  write record header to FILE *File, telegraphing the size; flush
+    // ii) ftello reads the offset from FILE *File . 
     // iii) iostream / MPI Open independently seek this offset. Write sequence direct to disk.
     //      Closes iostream and flushes.
     // iv) fseek on FILE * to end of this disjoint section.
     //  v) Continue writing scidac record.
     ////////////////////////////////////////////////////////////////////
-    uint64_t offset = ftello(File);
-    //    std::cout << " Writing to offset "<<offset << std::endl;
+    
+    GridBase *grid = field._grid;
+    assert(boss_node == field._grid->IsBoss() );
+
+    ////////////////////////////////////////////
+    // Create record header
+    ////////////////////////////////////////////
+    typedef typename vobj::scalar_object sobj;
+    int err;
+    uint32_t nersc_csum,scidac_csuma,scidac_csumb;
+    uint64_t PayloadSize = sizeof(sobj) * grid->_gsites;
+    if ( boss_node ) {
+      createLimeRecordHeader(record_name, 0, 0, PayloadSize);
+      fflush(File);
+    }
+    
+    //    std::cout << "W sizeof(sobj)"      <<sizeof(sobj)<<std::endl;
+    //    std::cout << "W Gsites "           <<field._grid->_gsites<<std::endl;
+    //    std::cout << "W Payload expected " <<PayloadSize<<std::endl;
+
+    ////////////////////////////////////////////////
+    // Check all nodes agree on file position
+    ////////////////////////////////////////////////
+    uint64_t offset1;
+    if ( boss_node ) {
+      offset1 = ftello(File);    
+    }
+    grid->Broadcast(0,(void *)&offset1,sizeof(offset1));
+
+    ///////////////////////////////////////////
+    // The above is collective. Write by other means into the binary record
+    ///////////////////////////////////////////
     std::string format = getFormatString<vobj>();
     BinarySimpleMunger<sobj,sobj> munge;
-    BinaryIO::writeLatticeObject<vobj,sobj>(field, filename, munge, offset, format,nersc_csum,scidac_csuma,scidac_csumb);
-    //    fseek(File,0,SEEK_END);    offset = ftello(File);std::cout << " offset now "<<offset << std::endl;
-    err=limeWriterCloseRecord(LimeW);  assert(err>=0);
+    BinaryIO::writeLatticeObject<vobj,sobj>(field, filename, munge, offset1, format,nersc_csum,scidac_csuma,scidac_csumb);
 
+    ///////////////////////////////////////////
+    // Wind forward and close the record
+    ///////////////////////////////////////////
+    if ( boss_node ) {
+      fseek(File,0,SEEK_END);             
+      uint64_t offset2 = ftello(File);     //    std::cout << " now at offset "<<offset2 << std::endl;
+      assert( (offset2-offset1) == PayloadSize);
+    }
+
+    /////////////////////////////////////////////////////////////
+    // Check MPI-2 I/O did what we expect to file
+    /////////////////////////////////////////////////////////////
+
+    if ( boss_node ) { 
+      err=limeWriterCloseRecord(LimeW);  assert(err>=0);
+    }
     ////////////////////////////////////////
     // Write checksum element, propagaing forward from the BinaryIO
     // Always pair a checksum with a binary object, and close message
@@ -380,21 +430,26 @@ class GridLimeWriter : public BinaryIO {
     std::stringstream streamb; streamb << std::hex << scidac_csumb;
     checksum.suma= streama.str();
     checksum.sumb= streamb.str();
-    //    std::cout << GridLogMessage<<" writing scidac checksums "<<std::hex<<scidac_csuma<<"/"<<scidac_csumb<<std::dec<<std::endl;
-    writeLimeObject(0,1,checksum,std::string("scidacChecksum"),std::string(SCIDAC_CHECKSUM));
+    if ( boss_node ) { 
+      writeLimeObject(0,1,checksum,std::string("scidacChecksum"),std::string(SCIDAC_CHECKSUM));
+    }
   }
 };
 
 class ScidacWriter : public GridLimeWriter {
  public:
 
-   template<class SerialisableUserFile>
-   void writeScidacFileRecord(GridBase *grid,SerialisableUserFile &_userFile)
-   {
-     scidacFile    _scidacFile(grid);
-     writeLimeObject(1,0,_scidacFile,_scidacFile.SerialisableClassName(),std::string(SCIDAC_PRIVATE_FILE_XML));
-     writeLimeObject(0,1,_userFile,_userFile.SerialisableClassName(),std::string(SCIDAC_FILE_XML));
-   }
+  ScidacWriter(bool isboss =true ) : GridLimeWriter(isboss)  { };
+
+  template<class SerialisableUserFile>
+  void writeScidacFileRecord(GridBase *grid,SerialisableUserFile &_userFile)
+  {
+    scidacFile    _scidacFile(grid);
+    if ( this->boss_node ) {
+      writeLimeObject(1,0,_scidacFile,_scidacFile.SerialisableClassName(),std::string(SCIDAC_PRIVATE_FILE_XML));
+      writeLimeObject(0,1,_userFile,_userFile.SerialisableClassName(),std::string(SCIDAC_FILE_XML));
+    }
+  }
   ////////////////////////////////////////////////
   // Write generic lattice field in scidac format
   ////////////////////////////////////////////////
@@ -415,9 +470,12 @@ class ScidacWriter : public GridLimeWriter {
     //////////////////////////////////////////////
     // Fill the Lime file record by record
     //////////////////////////////////////////////
-    writeLimeObject(1,0,header ,std::string("FieldMetaData"),std::string(GRID_FORMAT)); // Open message 
-    writeLimeObject(0,0,_userRecord,_userRecord.SerialisableClassName(),std::string(SCIDAC_RECORD_XML));
-    writeLimeObject(0,0,_scidacRecord,_scidacRecord.SerialisableClassName(),std::string(SCIDAC_PRIVATE_RECORD_XML));
+    if ( this->boss_node ) {
+      writeLimeObject(1,0,header ,std::string("FieldMetaData"),std::string(GRID_FORMAT)); // Open message 
+      writeLimeObject(0,0,_userRecord,_userRecord.SerialisableClassName(),std::string(SCIDAC_RECORD_XML));
+      writeLimeObject(0,0,_scidacRecord,_scidacRecord.SerialisableClassName(),std::string(SCIDAC_PRIVATE_RECORD_XML));
+    }
+    // Collective call
     writeLimeLatticeBinaryObject(field,std::string(ILDG_BINARY_DATA));      // Closes message with checksum
   }
 };
@@ -484,6 +542,8 @@ class ScidacReader : public GridLimeReader {
 
 class IldgWriter : public ScidacWriter {
  public:
+  
+  IldgWriter(bool isboss) : ScidacWriter(isboss) {};
 
   ///////////////////////////////////
   // A little helper
@@ -568,7 +628,6 @@ class IldgWriter : public ScidacWriter {
     writeLimeIldgLFN(header.ildg_lfn);                                                 // rec
     writeLimeLatticeBinaryObject(Umu,std::string(ILDG_BINARY_DATA));      // Closes message with checksum
     //    limeDestroyWriter(LimeW);
-    fclose(File);
   }
 };
 
@@ -644,9 +703,11 @@ class IldgReader : public GridLimeReader {
 
 	//////////////////////////////////
 	// ILDG format record
+
+  std::string xmlstring(&xmlc[0]);
 	if ( !strncmp(limeReaderType(LimeR), ILDG_FORMAT,strlen(ILDG_FORMAT)) ) { 
 
-	  XmlReader RD(&xmlc[0],"");
+	  XmlReader RD(xmlstring, true, "");
 	  read(RD,"ildgFormat",ildgFormat_);
 
 	  if ( ildgFormat_.precision == 64 ) format = std::string("IEEE64BIG");
@@ -661,13 +722,13 @@ class IldgReader : public GridLimeReader {
 	}
 
 	if ( !strncmp(limeReaderType(LimeR), ILDG_DATA_LFN,strlen(ILDG_DATA_LFN)) ) {
-	  FieldMetaData_.ildg_lfn = std::string(&xmlc[0]);
+	  FieldMetaData_.ildg_lfn = xmlstring;
 	  found_ildgLFN = 1;
 	}
 
 	if ( !strncmp(limeReaderType(LimeR), GRID_FORMAT,strlen(ILDG_FORMAT)) ) { 
 
-	  XmlReader RD(&xmlc[0],"");
+	  XmlReader RD(xmlstring, true, "");
 	  read(RD,"FieldMetaData",FieldMetaData_);
 
 	  format = FieldMetaData_.floating_point;
@@ -681,18 +742,17 @@ class IldgReader : public GridLimeReader {
 	}
 
 	if ( !strncmp(limeReaderType(LimeR), SCIDAC_RECORD_XML,strlen(SCIDAC_RECORD_XML)) ) { 
-	  std::string xmls(&xmlc[0]);
 	  // is it a USQCD info field
-	  if ( xmls.find(std::string("usqcdInfo")) != std::string::npos ) { 
+	  if ( xmlstring.find(std::string("usqcdInfo")) != std::string::npos ) { 
 	    //	    std::cout << GridLogMessage<<"...found a usqcdInfo field"<<std::endl;
-	    XmlReader RD(&xmlc[0],"");
+	    XmlReader RD(xmlstring, true, "");
 	    read(RD,"usqcdInfo",usqcdInfo_);
 	    found_usqcdInfo = 1;
 	  }
 	}
 
 	if ( !strncmp(limeReaderType(LimeR), SCIDAC_CHECKSUM,strlen(SCIDAC_CHECKSUM)) ) { 
-	  XmlReader RD(&xmlc[0],"");
+	  XmlReader RD(xmlstring, true, "");
 	  read(RD,"scidacChecksum",scidacChecksum_);
 	  found_scidacChecksum = 1;
 	}

lib/parallelIO/IldgIOtypes.h

@@ -136,8 +136,9 @@ struct scidacRecord : Serializable {
 				  int, typesize,
 				  int, datacount);
 
-  scidacRecord() { version =1.0; }
-
+  scidacRecord()
+  : version(1.0), recordtype(0), colors(0), spins(0), typesize(0), datacount(0)
+  {}
 };
 
 ////////////////////////

lib/parallelIO/MetaData.h

@@ -81,18 +81,16 @@ namespace Grid {
 				      std::string, creation_date,
 				      std::string, archive_date,
 				      std::string, floating_point);
-      FieldMetaData(void) { 
-	nd=4;
-	dimension.resize(4);
-	boundary.resize(4);
-	scidac_checksuma=0;
-	scidac_checksumb=0;
-	checksum=0;
-      }
+      // WARNING: non-initialised values might lead to twisted parallel IO
+      // issues, std::string are fine because they initliase to size 0
+      // as per C++ standard.
+      FieldMetaData(void) 
+      : nd(4), dimension(4,0), boundary(4, ""), data_start(0),
+      link_trace(0.), plaquette(0.), checksum(0),
+      scidac_checksuma(0), scidac_checksumb(0), sequence_number(0)
+      {}
     };
 
-
-
   namespace QCD {
 
     using namespace Grid;

lib/parallelIO/NerscIO.h

@@ -57,7 +57,7 @@ namespace Grid {
       // for the header-reader
       static inline int readHeader(std::string file,GridBase *grid,  FieldMetaData &field)
       {
-      int offset=0;
+      uint64_t offset=0;
       std::map<std::string,std::string> header;
       std::string line;
 
@@ -139,7 +139,7 @@ namespace Grid {
       typedef Lattice<iLorentzColourMatrix<vsimd> > GaugeField;
 
       GridBase *grid = Umu._grid;
-      int offset = readHeader(file,Umu._grid,header);
+      uint64_t offset = readHeader(file,Umu._grid,header);
 
       FieldMetaData clone(header);
 
@@ -236,21 +236,25 @@ namespace Grid {
 	GaugeStatistics(Umu,header);
 	MachineCharacteristics(header);
 
-	int offset;
-  
-	truncate(file);
+	uint64_t offset;
 
 	// Sod it -- always write 3x3 double
 	header.floating_point = std::string("IEEE64BIG");
 	header.data_type      = std::string("4D_SU3_GAUGE_3x3");
 	GaugeSimpleUnmunger<fobj3D,sobj> munge;
-	offset = writeHeader(header,file);
+	if ( grid->IsBoss() ) { 
+	  truncate(file);
+	  offset = writeHeader(header,file);
+	}
+	grid->Broadcast(0,(void *)&offset,sizeof(offset));
 
 	uint32_t nersc_csum,scidac_csuma,scidac_csumb;
 	BinaryIO::writeLatticeObject<vobj,fobj3D>(Umu,file,munge,offset,header.floating_point,
 								  nersc_csum,scidac_csuma,scidac_csumb);
 	header.checksum = nersc_csum;
-	writeHeader(header,file);
+	if ( grid->IsBoss() ) { 
+	  writeHeader(header,file);
+	}
 
 	std::cout<<GridLogMessage <<"Written NERSC Configuration on "<< file << " checksum "
 		 <<std::hex<<header.checksum
@@ -278,7 +282,7 @@ namespace Grid {
 	header.plaquette=0.0;
 	MachineCharacteristics(header);
 
-	int offset;
+	uint64_t offset;
   
 #ifdef RNG_RANLUX
 	header.floating_point = std::string("UINT64");
@@ -293,12 +297,18 @@ namespace Grid {
 	header.data_type      = std::string("SITMO");
 #endif
 
-	truncate(file);
-	offset = writeHeader(header,file);
+	if ( grid->IsBoss() ) { 
+	  truncate(file);
+	  offset = writeHeader(header,file);
+	}
+	grid->Broadcast(0,(void *)&offset,sizeof(offset));
+	
 	uint32_t nersc_csum,scidac_csuma,scidac_csumb;
 	BinaryIO::writeRNG(serial,parallel,file,offset,nersc_csum,scidac_csuma,scidac_csumb);
 	header.checksum = nersc_csum;
-	offset = writeHeader(header,file);
+	if ( grid->IsBoss() ) { 
+	  offset = writeHeader(header,file);
+	}
 
 	std::cout<<GridLogMessage 
 		 <<"Written NERSC RNG STATE "<<file<< " checksum "
@@ -313,7 +323,7 @@ namespace Grid {
 
 	GridBase *grid = parallel._grid;
 
-	int offset = readHeader(file,grid,header);
+	uint64_t offset = readHeader(file,grid,header);
 
 	FieldMetaData clone(header);
 

lib/perfmon/Timer.h

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

lib/pugixml/README.md

@@ -1,44 +0,0 @@
-pugixml [![Build Status](https://travis-ci.org/zeux/pugixml.svg?branch=master)](https://travis-ci.org/zeux/pugixml) [![Build status](https://ci.appveyor.com/api/projects/status/9hdks1doqvq8pwe7/branch/master?svg=true)](https://ci.appveyor.com/project/zeux/pugixml)
-=======
-
-pugixml is a C++ XML processing library, which consists of a DOM-like interface with rich traversal/modification
-capabilities, an extremely fast XML parser which constructs the DOM tree from an XML file/buffer, and an XPath 1.0
-implementation for complex data-driven tree queries. Full Unicode support is also available, with Unicode interface
-variants and conversions between different Unicode encodings (which happen automatically during parsing/saving).
-
-pugixml is used by a lot of projects, both open-source and proprietary, for performance and easy-to-use interface.
-
-## Documentation
-
-Documentation for the current release of pugixml is available on-line as two separate documents:
-
-* [Quick-start guide](http://pugixml.org/docs/quickstart.html), that aims to provide enough information to start using the library;
-* [Complete reference manual](http://pugixml.org/docs/manual.html), that describes all features of the library in detail.
-
-You’re advised to start with the quick-start guide; however, many important library features are either not described in it at all or only mentioned briefly; if you require more information you should read the complete manual.
-
-## License
-This library is available to anybody free of charge, under the terms of MIT License:
-
-Copyright (c) 2006-2015 Arseny Kapoulkine
-
-Permission is hereby granted, free of charge, to any person
-obtaining a copy of this software and associated documentation
-files (the "Software"), to deal in the Software without
-restriction, including without limitation the rights to use,
-copy, modify, merge, publish, distribute, sublicense, and/or sell
-copies of the Software, and to permit persons to whom the
-Software is furnished to do so, subject to the following
-conditions:
-
-The above copyright notice and this permission notice shall be
-included in all copies or substantial portions of the Software.
-
-THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
-EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES
-OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
-NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT
-HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,
-WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
-FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR
-OTHER DEALINGS IN THE SOFTWARE.

lib/pugixml/pugiconfig.hpp

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

lib/pugixml/pugixml.h

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

lib/pugixml/readme.txt

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

lib/qcd/action/fermion/CayleyFermion5D.cc

@@ -52,6 +52,35 @@ namespace QCD {
  { 
  }
 
+///////////////////////////////////////////////////////////////
+// Physical surface field utilities
+///////////////////////////////////////////////////////////////
+template<class Impl>  
+void CayleyFermion5D<Impl>::ExportPhysicalFermionSolution(const FermionField &solution5d,FermionField &exported4d)
+{
+  int Ls = this->Ls;
+  FermionField tmp(this->FermionGrid());
+  tmp = solution5d;
+  conformable(solution5d._grid,this->FermionGrid());
+  conformable(exported4d._grid,this->GaugeGrid());
+  axpby_ssp_pminus(tmp, 0., solution5d, 1., solution5d, 0, 0);
+  axpby_ssp_pplus (tmp, 1., tmp       , 1., solution5d, 0, Ls-1);
+  ExtractSlice(exported4d, tmp, 0, 0);
+}
+template<class Impl>  
+void CayleyFermion5D<Impl>::ImportPhysicalFermionSource(const FermionField &input4d,FermionField &imported5d)
+{
+  int Ls = this->Ls;
+  FermionField tmp(this->FermionGrid());
+  conformable(imported5d._grid,this->FermionGrid());
+  conformable(input4d._grid   ,this->GaugeGrid());
+  tmp = zero;
+  InsertSlice(input4d, tmp, 0   , 0);
+  InsertSlice(input4d, tmp, Ls-1, 0);
+  axpby_ssp_pplus (tmp, 0., tmp, 1., tmp, 0, 0);
+  axpby_ssp_pminus(tmp, 0., tmp, 1., tmp, Ls-1, Ls-1);
+  Dminus(tmp,imported5d);
+}
 template<class Impl>  
 void CayleyFermion5D<Impl>::Dminus(const FermionField &psi, FermionField &chi)
 {
@@ -73,7 +102,7 @@ void CayleyFermion5D<Impl>::DminusDag(const FermionField &psi, FermionField &chi
   this->DW(psi,tmp_f,DaggerYes);
 
   for(int s=0;s<Ls;s++){
-    axpby_ssp(chi,Coeff_t(1.0),psi,-cs[s],tmp_f,s,s);// chi = (1-c[s] D_W) psi
+    axpby_ssp(chi,Coeff_t(1.0),psi,conjugate(-cs[s]),tmp_f,s,s);// chi = (1-c[s] D_W) psi
   }
 }
 
@@ -415,6 +444,8 @@ void CayleyFermion5D<Impl>::SetCoefficientsInternal(RealD zolo_hi,std::vector<Co
     assert(omega[i]!=Coeff_t(0.0));
     bs[i] = 0.5*(bpc/omega[i] + bmc);
     cs[i] = 0.5*(bpc/omega[i] - bmc);
+    std::cout<<GridLogMessage << "CayleyFermion5D "<<i<<" bs="<<bs[i]<<" cs="<<cs[i]<< std::endl;
+
   }
 
   ////////////////////////////////////////////////////////

lib/qcd/action/fermion/CayleyFermion5D.h

@@ -83,8 +83,13 @@ namespace Grid {
       virtual void   M5D   (const FermionField &psi, FermionField &chi);
       virtual void   M5Ddag(const FermionField &psi, FermionField &chi);
 
+      ///////////////////////////////////////////////////////////////
+      // Physical surface field utilities
+      ///////////////////////////////////////////////////////////////
       virtual void   Dminus(const FermionField &psi, FermionField &chi);
       virtual void   DminusDag(const FermionField &psi, FermionField &chi);
+      virtual void ExportPhysicalFermionSolution(const FermionField &solution5d,FermionField &exported4d);
+      virtual void ImportPhysicalFermionSource(const FermionField &input4d,FermionField &imported5d);
 
       /////////////////////////////////////////////////////
       // Instantiate different versions depending on Impl

lib/qcd/action/fermion/CayleyFermion5Dvec.cc

@@ -469,7 +469,8 @@ void CayleyFermion5D<Impl>::MooeeInternalAsm(const FermionField &psi, FermionFie
 	}
 	a0 = a0+incr;
 	a1 = a1+incr;
-	a2 = a2+sizeof(Simd::scalar_type);
+	a2 = a2+sizeof(typename Simd::scalar_type);
+	a2 = a2+sizeof(typename Simd::scalar_type); //ypj [debug]
       }}
     {
       int lexa = s1+LLs*site;
@@ -701,7 +702,8 @@ void CayleyFermion5D<Impl>::MooeeInternalZAsm(const FermionField &psi, FermionFi
 	}
 	a0 = a0+incr;
 	a1 = a1+incr;
-	a2 = a2+sizeof(Simd::scalar_type);
+	a2 = a2+sizeof(typename Simd::scalar_type); 
+	a2 = a2+sizeof(typename Simd::scalar_type); // ypj [debug]
       }}
     {
       int lexa = s1+LLs*site;

lib/qcd/action/fermion/ContinuedFractionFermion5D.cc

@@ -295,6 +295,27 @@ namespace Grid {
       assert((Ls&0x1)==1); // Odd Ls required
     }
 
+    template<class Impl>
+    void ContinuedFractionFermion5D<Impl>::ExportPhysicalFermionSolution(const FermionField &solution5d,FermionField &exported4d)
+    {
+      int Ls = this->Ls;
+      conformable(solution5d._grid,this->FermionGrid());
+      conformable(exported4d._grid,this->GaugeGrid());
+      ExtractSlice(exported4d, solution5d, Ls-1, Ls-1);
+    }
+    template<class Impl>
+    void ContinuedFractionFermion5D<Impl>::ImportPhysicalFermionSource(const FermionField &input4d,FermionField &imported5d)
+    {
+      int Ls = this->Ls;
+      conformable(imported5d._grid,this->FermionGrid());
+      conformable(input4d._grid   ,this->GaugeGrid());
+      FermionField tmp(this->FermionGrid());
+      tmp=zero;
+      InsertSlice(input4d, tmp, Ls-1, Ls-1);
+      tmp=Gamma(Gamma::Algebra::Gamma5)*tmp;
+      this->Dminus(tmp,imported5d);
+    }
+
     FermOpTemplateInstantiate(ContinuedFractionFermion5D);
 
   }

lib/qcd/action/fermion/ContinuedFractionFermion5D.h

@@ -65,6 +65,14 @@ namespace Grid {
       // Efficient support for multigrid coarsening
       virtual void  Mdir (const FermionField &in, FermionField &out,int dir,int disp);
 
+      ///////////////////////////////////////////////////////////////
+      // Physical surface field utilities
+      ///////////////////////////////////////////////////////////////
+      //      virtual void Dminus(const FermionField &psi, FermionField &chi);     // Inherit trivial case
+      //      virtual void DminusDag(const FermionField &psi, FermionField &chi);  // Inherit trivial case
+      virtual void ExportPhysicalFermionSolution(const FermionField &solution5d,FermionField &exported4d);
+      virtual void ImportPhysicalFermionSource  (const FermionField &input4d,FermionField &imported5d);
+
       // Constructors
       ContinuedFractionFermion5D(GaugeField &_Umu,
 				 GridCartesian         &FiveDimGrid,

lib/qcd/action/fermion/DomainWallEOFAFermionvec.cc

@@ -475,7 +475,8 @@ namespace QCD {
                         }
                         a0 = a0 + incr;
                         a1 = a1 + incr;
-                        a2 = a2 + sizeof(Simd::scalar_type);
+                        a2 = a2 + sizeof(typename Simd::scalar_type); 
+                        a2 = a2 + sizeof(typename Simd::scalar_type); // ypj [debug]
                     }
                 }
 

lib/qcd/action/fermion/Fermion.h

@@ -63,8 +63,8 @@ Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
 #include <Grid/qcd/action/fermion/MobiusFermion.h>
 #include <Grid/qcd/action/fermion/MobiusEOFAFermion.h>
 #include <Grid/qcd/action/fermion/ZMobiusFermion.h>
-#include <Grid/qcd/action/fermion/SchurDiagTwoKappa.h>
 #include <Grid/qcd/action/fermion/ScaledShamirFermion.h>
+//#include <Grid/qcd/action/fermion/SchurDiagTwoKappa.h>
 #include <Grid/qcd/action/fermion/MobiusZolotarevFermion.h>
 #include <Grid/qcd/action/fermion/ShamirZolotarevFermion.h>
 #include <Grid/qcd/action/fermion/OverlapWilsonCayleyTanhFermion.h>

lib/qcd/action/fermion/FermionOperator.h

@@ -63,9 +63,12 @@ namespace Grid {
       virtual RealD  M    (const FermionField &in, FermionField &out)=0;
       virtual RealD  Mdag (const FermionField &in, FermionField &out)=0;
 
-      // half checkerboard operaions
+      // Query the even even properties to make algorithmic decisions
       virtual int    ConstEE(void) { return 1; }; // clover returns zero as EE depends on gauge field
+      virtual int    isTrivialEE(void) { return 0; };
+      virtual RealD  Mass(void) {return 0.0;};
 
+      // half checkerboard operaions
       virtual void   Meooe       (const FermionField &in, FermionField &out)=0;
       virtual void   MeooeDag    (const FermionField &in, FermionField &out)=0;
       virtual void   Mooee       (const FermionField &in, FermionField &out)=0;
@@ -128,6 +131,19 @@ namespace Grid {
                                        std::vector<Real> mom,
                                        unsigned int tmin, 
                                        unsigned int tmax)=0;
+      ///////////////////////////////////////////////
+      // Physical field import/export
+      ///////////////////////////////////////////////
+      virtual void Dminus(const FermionField &psi, FermionField &chi)    { chi=psi; }
+      virtual void DminusDag(const FermionField &psi, FermionField &chi) { chi=psi; }
+      virtual void ImportPhysicalFermionSource(const FermionField &input,FermionField &imported)
+      {
+	imported = input;
+      };
+      virtual void ExportPhysicalFermionSolution(const FermionField &solution,FermionField &exported)
+      {
+	exported=solution;
+      };
     };
 
   }

lib/qcd/action/fermion/FermionOperatorImpl.h

@@ -764,7 +764,12 @@ class StaggeredImpl : public PeriodicGaugeImpl<GaugeImplTypes<S, Representation:
     inline void loadLinkElement(Simd &reg, ref &memory) {
       reg = memory;
     }
-      
+
+    inline void InsertGaugeField(DoubledGaugeField &U_ds,
+				 const GaugeLinkField &U,int mu)
+    {
+      PokeIndex<LorentzIndex>(U_ds, U, mu);
+    }
     inline void DoubleStore(GridBase *GaugeGrid,
 			    DoubledGaugeField &UUUds, // for Naik term
 			    DoubledGaugeField &Uds,
@@ -803,8 +808,10 @@ class StaggeredImpl : public PeriodicGaugeImpl<GaugeImplTypes<S, Representation:
 	U    = U    *phases;
 	Udag = Udag *phases;
 
-	PokeIndex<LorentzIndex>(Uds, U, mu);
-	PokeIndex<LorentzIndex>(Uds, Udag, mu + 4);
+	InsertGaugeField(Uds,U,mu);
+	InsertGaugeField(Uds,Udag,mu+4);
+	//	PokeIndex<LorentzIndex>(Uds, U, mu);
+	//	PokeIndex<LorentzIndex>(Uds, Udag, mu + 4);
 
 	// 3 hop based on thin links. Crazy huh ?
 	U  = PeekIndex<LorentzIndex>(Uthin, mu);
@@ -816,8 +823,8 @@ class StaggeredImpl : public PeriodicGaugeImpl<GaugeImplTypes<S, Representation:
 	UUU    = UUU    *phases;
 	UUUdag = UUUdag *phases;
 
-	PokeIndex<LorentzIndex>(UUUds, UUU, mu);
-	PokeIndex<LorentzIndex>(UUUds, UUUdag, mu+4);
+	InsertGaugeField(UUUds,UUU,mu);
+	InsertGaugeField(UUUds,UUUdag,mu+4);
 
       }
     }
@@ -910,6 +917,23 @@ class StaggeredImpl : public PeriodicGaugeImpl<GaugeImplTypes<S, Representation:
       mac(&phi(), &UU(), &chi());
     }
       
+    inline void InsertGaugeField(DoubledGaugeField &U_ds,const GaugeLinkField &U,int mu)
+    {
+      GridBase *GaugeGrid = U_ds._grid;
+      parallel_for (int lidx = 0; lidx < GaugeGrid->lSites(); lidx++) {
+
+	SiteScalarGaugeLink   ScalarU;
+	SiteDoubledGaugeField ScalarUds;
+	
+	std::vector<int> lcoor;
+	GaugeGrid->LocalIndexToLocalCoor(lidx, lcoor);
+	peekLocalSite(ScalarUds, U_ds, lcoor);
+	
+	peekLocalSite(ScalarU, U, lcoor);
+	ScalarUds(mu) = ScalarU();
+	
+      }
+    }
     inline void DoubleStore(GridBase *GaugeGrid,
 			    DoubledGaugeField &UUUds, // for Naik term
 			    DoubledGaugeField &Uds,
@@ -951,23 +975,8 @@ class StaggeredImpl : public PeriodicGaugeImpl<GaugeImplTypes<S, Representation:
 	U    = U    *phases;
 	Udag = Udag *phases;
 
-
-	for (int lidx = 0; lidx < GaugeGrid->lSites(); lidx++) {
-	  SiteScalarGaugeLink   ScalarU;
-	  SiteDoubledGaugeField ScalarUds;
-	  
-	  std::vector<int> lcoor;
-	  GaugeGrid->LocalIndexToLocalCoor(lidx, lcoor);
-	  peekLocalSite(ScalarUds, Uds, lcoor);
-
-	  peekLocalSite(ScalarU, U, lcoor);
-	  ScalarUds(mu) = ScalarU();
-
-	  peekLocalSite(ScalarU, Udag, lcoor);
-	  ScalarUds(mu + 4) = ScalarU();
-
-	  pokeLocalSite(ScalarUds, Uds, lcoor);
-	}
+	InsertGaugeField(Uds,U,mu);
+	InsertGaugeField(Uds,Udag,mu+4);
 
 	// 3 hop based on thin links. Crazy huh ?
 	U  = PeekIndex<LorentzIndex>(Uthin, mu);
@@ -979,24 +988,8 @@ class StaggeredImpl : public PeriodicGaugeImpl<GaugeImplTypes<S, Representation:
 	UUU    = UUU    *phases;
 	UUUdag = UUUdag *phases;
 
-	for (int lidx = 0; lidx < GaugeGrid->lSites(); lidx++) {
-
-	  SiteScalarGaugeLink  ScalarU;
-	  SiteDoubledGaugeField ScalarUds;
-	  
-	  std::vector<int> lcoor;
-	  GaugeGrid->LocalIndexToLocalCoor(lidx, lcoor);
-      
-	  peekLocalSite(ScalarUds, UUUds, lcoor);
-
-	  peekLocalSite(ScalarU, UUU, lcoor);
-	  ScalarUds(mu) = ScalarU();
-
-	  peekLocalSite(ScalarU, UUUdag, lcoor);
-	  ScalarUds(mu + 4) = ScalarU();
-	  
-	  pokeLocalSite(ScalarUds, UUUds, lcoor);
-	}
+	InsertGaugeField(UUUds,UUU,mu);
+	InsertGaugeField(UUUds,UUUdag,mu+4);
 
       }
     }

lib/qcd/action/fermion/ImprovedStaggeredFermion.cc

@@ -44,6 +44,7 @@ ImprovedStaggeredFermionStatic::displacements({1, 1, 1, 1, -1, -1, -1, -1, 3, 3,
 template <class Impl>
 ImprovedStaggeredFermion<Impl>::ImprovedStaggeredFermion(GridCartesian &Fgrid, GridRedBlackCartesian &Hgrid, 
 							 RealD _mass,
+							 RealD _c1, RealD _c2,RealD _u0,
 							 const ImplParams &p)
     : Kernels(p),
       _grid(&Fgrid),
@@ -62,6 +63,16 @@ ImprovedStaggeredFermion<Impl>::ImprovedStaggeredFermion(GridCartesian &Fgrid, G
       UUUmuOdd(&Hgrid) ,
       _tmp(&Hgrid)
 {
+  int vol4;
+  int LLs=1;
+  c1=_c1;
+  c2=_c2;
+  u0=_u0;
+  vol4= _grid->oSites();
+  Stencil.BuildSurfaceList(LLs,vol4);
+  vol4= _cbgrid->oSites();
+  StencilEven.BuildSurfaceList(LLs,vol4);
+  StencilOdd.BuildSurfaceList(LLs,vol4);
 }
 
 template <class Impl>
@@ -69,22 +80,10 @@ ImprovedStaggeredFermion<Impl>::ImprovedStaggeredFermion(GaugeField &_Uthin, Gau
 							 GridRedBlackCartesian &Hgrid, RealD _mass,
 							 RealD _c1, RealD _c2,RealD _u0,
 							 const ImplParams &p)
-  : ImprovedStaggeredFermion(Fgrid,Hgrid,_mass,p)
+  : ImprovedStaggeredFermion(Fgrid,Hgrid,_mass,_c1,_c2,_u0,p)
 {
-  c1=_c1;
-  c2=_c2;
-  u0=_u0;
   ImportGauge(_Uthin,_Ufat);
 }
-template <class Impl>
-ImprovedStaggeredFermion<Impl>::ImprovedStaggeredFermion(GaugeField &_Uthin,GaugeField &_Utriple, GaugeField &_Ufat, GridCartesian &Fgrid,
-							 GridRedBlackCartesian &Hgrid, RealD _mass,
-							 const ImplParams &p)
-  : ImprovedStaggeredFermion(Fgrid,Hgrid,_mass,p)
-{
-  ImportGaugeSimple(_Utriple,_Ufat);
-}
-
 
   ////////////////////////////////////////////////////////////
   // Momentum space propagator should be 
@@ -98,11 +97,6 @@ ImprovedStaggeredFermion<Impl>::ImprovedStaggeredFermion(GaugeField &_Uthin,Gaug
   // of above link to implmement fourier based solver.
   ////////////////////////////////////////////////////////////
 template <class Impl>
-void ImprovedStaggeredFermion<Impl>::ImportGauge(const GaugeField &_Uthin) 
-{
-  ImportGauge(_Uthin,_Uthin);
-};
-template <class Impl>
 void ImprovedStaggeredFermion<Impl>::ImportGaugeSimple(const GaugeField &_Utriple,const GaugeField &_Ufat) 
 {
   /////////////////////////////////////////////////////////////////
@@ -125,6 +119,20 @@ void ImprovedStaggeredFermion<Impl>::ImportGaugeSimple(const GaugeField &_Utripl
     PokeIndex<LorentzIndex>(Umu, -U, mu+4);
 
   }
+  CopyGaugeCheckerboards();
+}
+template <class Impl>
+void ImprovedStaggeredFermion<Impl>::ImportGaugeSimple(const DoubledGaugeField &_UUU,const DoubledGaugeField &_U) 
+{
+
+  Umu   = _U;
+  UUUmu = _UUU;
+  CopyGaugeCheckerboards();
+}
+
+template <class Impl>
+void ImprovedStaggeredFermion<Impl>::CopyGaugeCheckerboards(void)
+{
   pickCheckerboard(Even, UmuEven,  Umu);
   pickCheckerboard(Odd,  UmuOdd ,  Umu);
   pickCheckerboard(Even, UUUmuEven,UUUmu);
@@ -160,10 +168,7 @@ void ImprovedStaggeredFermion<Impl>::ImportGauge(const GaugeField &_Uthin,const
     PokeIndex<LorentzIndex>(UUUmu, U*(-0.5*c2/u0/u0/u0), mu+4);
   }
 
-  pickCheckerboard(Even, UmuEven, Umu);
-  pickCheckerboard(Odd,  UmuOdd , Umu);
-  pickCheckerboard(Even, UUUmuEven, UUUmu);
-  pickCheckerboard(Odd,   UUUmuOdd, UUUmu);
+  CopyGaugeCheckerboards();
 }
 
 /////////////////////////////
@@ -322,6 +327,7 @@ void ImprovedStaggeredFermion<Impl>::DhopDerivEO(GaugeField &mat, const FermionF
 
 template <class Impl>
 void ImprovedStaggeredFermion<Impl>::Dhop(const FermionField &in, FermionField &out, int dag) {
+  DhopCalls+=2;
   conformable(in._grid, _grid);  // verifies full grid
   conformable(in._grid, out._grid);
 
@@ -332,6 +338,7 @@ void ImprovedStaggeredFermion<Impl>::Dhop(const FermionField &in, FermionField &
 
 template <class Impl>
 void ImprovedStaggeredFermion<Impl>::DhopOE(const FermionField &in, FermionField &out, int dag) {
+  DhopCalls+=1;
   conformable(in._grid, _cbgrid);    // verifies half grid
   conformable(in._grid, out._grid);  // drops the cb check
 
@@ -343,6 +350,7 @@ void ImprovedStaggeredFermion<Impl>::DhopOE(const FermionField &in, FermionField
 
 template <class Impl>
 void ImprovedStaggeredFermion<Impl>::DhopEO(const FermionField &in, FermionField &out, int dag) {
+  DhopCalls+=1;
   conformable(in._grid, _cbgrid);    // verifies half grid
   conformable(in._grid, out._grid);  // drops the cb check
 
@@ -374,25 +382,193 @@ void ImprovedStaggeredFermion<Impl>::DhopInternal(StencilImpl &st, LebesgueOrder
 						  DoubledGaugeField &U,
 						  DoubledGaugeField &UUU,
 						  const FermionField &in,
-						  FermionField &out, int dag) {
+						  FermionField &out, int dag) 
+{
+#ifdef GRID_OMP
+  if ( StaggeredKernelsStatic::Comms == StaggeredKernelsStatic::CommsAndCompute )
+    DhopInternalOverlappedComms(st,lo,U,UUU,in,out,dag);
+  else
+#endif
+    DhopInternalSerialComms(st,lo,U,UUU,in,out,dag);
+}
+template <class Impl>
+void ImprovedStaggeredFermion<Impl>::DhopInternalOverlappedComms(StencilImpl &st, LebesgueOrder &lo,
+								 DoubledGaugeField &U,
+								 DoubledGaugeField &UUU,
+								 const FermionField &in,
+								 FermionField &out, int dag) 
+{
+#ifdef GRID_OMP
+  Compressor compressor; 
+  int len =  U._grid->oSites();
+  const int LLs =  1;
+
+  DhopTotalTime   -= usecond();
+
+  DhopFaceTime    -= usecond();
+  st.Prepare();
+  st.HaloGather(in,compressor);
+  st.CommsMergeSHM(compressor);
+  DhopFaceTime    += usecond();
+
+  //////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Ugly explicit thread mapping introduced for OPA reasons.
+  //////////////////////////////////////////////////////////////////////////////////////////////////////
+  DhopComputeTime    -= usecond();
+#pragma omp parallel 
+  {
+    int tid = omp_get_thread_num();
+    int nthreads = omp_get_num_threads();
+    int ncomms = CartesianCommunicator::nCommThreads;
+    if (ncomms == -1) ncomms = 1;
+    assert(nthreads > ncomms);
+
+    if (tid >= ncomms) {
+      nthreads -= ncomms;
+      int ttid  = tid - ncomms;
+      int n     = len;
+      int chunk = n / nthreads;
+      int rem   = n % nthreads;
+      int myblock, myn;
+      if (ttid < rem) {
+        myblock = ttid * chunk + ttid;
+        myn = chunk+1;
+      } else {
+        myblock = ttid*chunk + rem;
+        myn = chunk;
+      }
+
+      // do the compute
+      if (dag == DaggerYes) {
+        for (int ss = myblock; ss < myblock+myn; ++ss) {
+          int sU = ss;
+	  // Interior = 1; Exterior = 0; must implement for staggered
+          Kernels::DhopSiteDag(st,lo,U,UUU,st.CommBuf(),1,sU,in,out,1,0); 
+        }
+      } else {
+        for (int ss = myblock; ss < myblock+myn; ++ss) {
+	  // Interior = 1; Exterior = 0;
+          int sU = ss;
+          Kernels::DhopSite(st,lo,U,UUU,st.CommBuf(),1,sU,in,out,1,0);
+        }
+      }
+    } else {
+      st.CommunicateThreaded();
+    }
+  }
+  DhopComputeTime    += usecond();
+
+  // First to enter, last to leave timing
+  DhopFaceTime    -= usecond();
+  st.CommsMerge(compressor);
+  DhopFaceTime    -= usecond();
+
+  DhopComputeTime2    -= usecond();
+  if (dag == DaggerYes) {
+    int sz=st.surface_list.size();
+    parallel_for (int ss = 0; ss < sz; ss++) {
+      int sU = st.surface_list[ss];
+      Kernels::DhopSiteDag(st,lo,U,UUU,st.CommBuf(),1,sU,in,out,0,1);
+    }
+  } else {
+    int sz=st.surface_list.size();
+    parallel_for (int ss = 0; ss < sz; ss++) {
+      int sU = st.surface_list[ss];
+      Kernels::DhopSite(st,lo,U,UUU,st.CommBuf(),1,sU,in,out,0,1);
+    }
+  }
+  DhopComputeTime2    += usecond();
+#else
+  assert(0);
+#endif
+}
+
+
+template <class Impl>
+void ImprovedStaggeredFermion<Impl>::DhopInternalSerialComms(StencilImpl &st, LebesgueOrder &lo,
+							     DoubledGaugeField &U,
+							     DoubledGaugeField &UUU,
+							     const FermionField &in,
+							     FermionField &out, int dag) 
+{
   assert((dag == DaggerNo) || (dag == DaggerYes));
 
+  DhopTotalTime   -= usecond();
+
+  DhopCommTime    -= usecond();
   Compressor compressor;
   st.HaloExchange(in, compressor);
+  DhopCommTime    += usecond();
 
+  DhopComputeTime -= usecond();
   if (dag == DaggerYes) {
-    PARALLEL_FOR_LOOP
-    for (int sss = 0; sss < in._grid->oSites(); sss++) {
+    parallel_for (int sss = 0; sss < in._grid->oSites(); sss++) {
       Kernels::DhopSiteDag(st, lo, U, UUU, st.CommBuf(), 1, sss, in, out);
     }
   } else {
-    PARALLEL_FOR_LOOP
-    for (int sss = 0; sss < in._grid->oSites(); sss++) {
+    parallel_for (int sss = 0; sss < in._grid->oSites(); sss++) {
       Kernels::DhopSite(st, lo, U, UUU, st.CommBuf(), 1, sss, in, out);
     }
   }
+  DhopComputeTime += usecond();
+  DhopTotalTime   += usecond();
 };
 
+  ////////////////////////////////////////////////////////////////
+  // Reporting
+  ////////////////////////////////////////////////////////////////
+template<class Impl>
+void ImprovedStaggeredFermion<Impl>::Report(void) 
+{
+  std::vector<int> latt = GridDefaultLatt();          
+  RealD volume = 1;  for(int mu=0;mu<Nd;mu++) volume=volume*latt[mu];
+  RealD NP = _grid->_Nprocessors;
+  RealD NN = _grid->NodeCount();
+
+  std::cout << GridLogMessage << "#### Dhop calls report " << std::endl;
+
+  std::cout << GridLogMessage << "ImprovedStaggeredFermion Number of DhopEO Calls   : " 
+	    << DhopCalls   << std::endl;
+  std::cout << GridLogMessage << "ImprovedStaggeredFermion TotalTime   /Calls       : " 
+	    << DhopTotalTime   / DhopCalls << " us" << std::endl;
+  std::cout << GridLogMessage << "ImprovedStaggeredFermion CommTime    /Calls       : " 
+	    << DhopCommTime    / DhopCalls << " us" << std::endl;
+  std::cout << GridLogMessage << "ImprovedStaggeredFermion ComputeTime/Calls        : " 
+	    << DhopComputeTime / DhopCalls << " us" << std::endl;
+
+  // Average the compute time
+  _grid->GlobalSum(DhopComputeTime);
+  DhopComputeTime/=NP;
+
+  RealD mflops = 1154*volume*DhopCalls/DhopComputeTime/2; // 2 for red black counting
+  std::cout << GridLogMessage << "Average mflops/s per call                : " << mflops << std::endl;
+  std::cout << GridLogMessage << "Average mflops/s per call per rank       : " << mflops/NP << std::endl;
+  std::cout << GridLogMessage << "Average mflops/s per call per node       : " << mflops/NN << std::endl;
+  
+  RealD Fullmflops = 1154*volume*DhopCalls/(DhopTotalTime)/2; // 2 for red black counting
+  std::cout << GridLogMessage << "Average mflops/s per call (full)         : " << Fullmflops << std::endl;
+  std::cout << GridLogMessage << "Average mflops/s per call per rank (full): " << Fullmflops/NP << std::endl;
+  std::cout << GridLogMessage << "Average mflops/s per call per node (full): " << Fullmflops/NN << std::endl;
+
+  std::cout << GridLogMessage << "ImprovedStaggeredFermion Stencil"    <<std::endl;  Stencil.Report();
+  std::cout << GridLogMessage << "ImprovedStaggeredFermion StencilEven"<<std::endl;  StencilEven.Report();
+  std::cout << GridLogMessage << "ImprovedStaggeredFermion StencilOdd" <<std::endl;  StencilOdd.Report();
+}
+template<class Impl>
+void ImprovedStaggeredFermion<Impl>::ZeroCounters(void) 
+{
+  DhopCalls       = 0;
+  DhopTotalTime   = 0;
+  DhopCommTime    = 0;
+  DhopComputeTime = 0;
+  DhopFaceTime    = 0;
+
+  Stencil.ZeroCounters();
+  StencilEven.ZeroCounters();
+  StencilOdd.ZeroCounters();
+}
+
+
 //////////////////////////////////////////////////////// 
 // Conserved current - not yet implemented.
 ////////////////////////////////////////////////////////

lib/qcd/action/fermion/ImprovedStaggeredFermion.h

@@ -49,6 +49,18 @@ class ImprovedStaggeredFermion : public StaggeredKernels<Impl>, public ImprovedS
   FermionField _tmp;
   FermionField &tmp(void) { return _tmp; }
 
+  ////////////////////////////////////////
+  // Performance monitoring
+  ////////////////////////////////////////
+  void Report(void);
+  void ZeroCounters(void);
+  double DhopTotalTime;
+  double DhopCalls;
+  double DhopCommTime;
+  double DhopComputeTime;
+  double DhopComputeTime2;
+  double DhopFaceTime;
+
   ///////////////////////////////////////////////////////////////
   // Implement the abstract base
   ///////////////////////////////////////////////////////////////
@@ -105,25 +117,34 @@ class ImprovedStaggeredFermion : public StaggeredKernels<Impl>, public ImprovedS
 
   void DhopInternal(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,DoubledGaugeField &UUU,
                     const FermionField &in, FermionField &out, int dag);
+  void DhopInternalSerialComms(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,DoubledGaugeField &UUU,
+                    const FermionField &in, FermionField &out, int dag);
+  void DhopInternalOverlappedComms(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,DoubledGaugeField &UUU,
+                    const FermionField &in, FermionField &out, int dag);
 
-  // Constructor
+  //////////////////////////////////////////////////////////////////////////
+  // Grid own interface Constructor
+  //////////////////////////////////////////////////////////////////////////
   ImprovedStaggeredFermion(GaugeField &_Uthin, GaugeField &_Ufat, GridCartesian &Fgrid,
 			   GridRedBlackCartesian &Hgrid, RealD _mass,
-			   RealD _c1=9.0/8.0, RealD _c2=-1.0/24.0,RealD _u0=1.0,
-			   const ImplParams &p = ImplParams());
-
-  ImprovedStaggeredFermion(GaugeField &_Uthin, GaugeField &_Utriple, GaugeField &_Ufat, GridCartesian &Fgrid,
-			   GridRedBlackCartesian &Hgrid, RealD _mass,
+			   RealD _c1, RealD _c2,RealD _u0,
 			   const ImplParams &p = ImplParams());
 
+  //////////////////////////////////////////////////////////////////////////
+  // MILC constructor no gauge fields
+  //////////////////////////////////////////////////////////////////////////
   ImprovedStaggeredFermion(GridCartesian &Fgrid, GridRedBlackCartesian &Hgrid, RealD _mass,
+			   RealD _c1=1.0, RealD _c2=1.0,RealD _u0=1.0,
 			   const ImplParams &p = ImplParams());
 
-
   // DoubleStore impl dependent
-  void ImportGaugeSimple(const GaugeField &_Utriple, const GaugeField &_Ufat);
-  void ImportGauge(const GaugeField &_Uthin, const GaugeField &_Ufat);
-  void ImportGauge(const GaugeField &_Uthin);
+  void ImportGauge      (const GaugeField &_Uthin ) { assert(0); }
+  void ImportGauge      (const GaugeField &_Uthin  ,const GaugeField &_Ufat);
+  void ImportGaugeSimple(const GaugeField &_UUU    ,const GaugeField &_U);
+  void ImportGaugeSimple(const DoubledGaugeField &_UUU,const DoubledGaugeField &_U);
+  DoubledGaugeField &GetU(void)   { return Umu ; } ;
+  DoubledGaugeField &GetUUU(void) { return UUUmu; };
+  void CopyGaugeCheckerboards(void);
 
   ///////////////////////////////////////////////////////////////
   // Data members require to support the functionality
@@ -132,7 +153,8 @@ class ImprovedStaggeredFermion : public StaggeredKernels<Impl>, public ImprovedS
   //    protected:
  public:
   // any other parameters of action ???
-
+  virtual int   isTrivialEE(void) { return 1; };
+  virtual RealD Mass(void) { return mass; }
   RealD mass;
   RealD u0;
   RealD c1;

lib/qcd/action/fermion/ImprovedStaggeredFermion5D.cc

@@ -41,8 +41,7 @@ ImprovedStaggeredFermion5DStatic::displacements({1, 1, 1, 1, -1, -1, -1, -1, 3,
 
   // 5d lattice for DWF.
 template<class Impl>
-ImprovedStaggeredFermion5D<Impl>::ImprovedStaggeredFermion5D(GaugeField &_Uthin,GaugeField &_Ufat,
-							     GridCartesian         &FiveDimGrid,
+ImprovedStaggeredFermion5D<Impl>::ImprovedStaggeredFermion5D(GridCartesian         &FiveDimGrid,
 							     GridRedBlackCartesian &FiveDimRedBlackGrid,
 							     GridCartesian         &FourDimGrid,
 							     GridRedBlackCartesian &FourDimRedBlackGrid,
@@ -121,16 +120,74 @@ ImprovedStaggeredFermion5D<Impl>::ImprovedStaggeredFermion5D(GaugeField &_Uthin,
     assert(FiveDimGrid._simd_layout[0]        ==1);
 
   }
+  int LLs = FiveDimGrid._rdimensions[0];
+  int vol4= FourDimGrid.oSites();
+  Stencil.BuildSurfaceList(LLs,vol4);
 
-  // Allocate the required comms buffer
+  vol4=FourDimRedBlackGrid.oSites();
+  StencilEven.BuildSurfaceList(LLs,vol4);
+  StencilOdd.BuildSurfaceList(LLs,vol4);
+}
+template <class Impl>
+void ImprovedStaggeredFermion5D<Impl>::CopyGaugeCheckerboards(void)
+{
+  pickCheckerboard(Even, UmuEven,  Umu);
+  pickCheckerboard(Odd,  UmuOdd ,  Umu);
+  pickCheckerboard(Even, UUUmuEven,UUUmu);
+  pickCheckerboard(Odd,  UUUmuOdd, UUUmu);
+}
+template<class Impl>
+ImprovedStaggeredFermion5D<Impl>::ImprovedStaggeredFermion5D(GaugeField &_Uthin,GaugeField &_Ufat,
+							     GridCartesian         &FiveDimGrid,
+							     GridRedBlackCartesian &FiveDimRedBlackGrid,
+							     GridCartesian         &FourDimGrid,
+							     GridRedBlackCartesian &FourDimRedBlackGrid,
+							     RealD _mass,
+							     RealD _c1,RealD _c2, RealD _u0,
+							     const ImplParams &p) :
+  ImprovedStaggeredFermion5D(FiveDimGrid,FiveDimRedBlackGrid,
+			     FourDimGrid,FourDimRedBlackGrid,
+			     _mass,_c1,_c2,_u0,p)
+{
   ImportGauge(_Uthin,_Ufat);
 }
 
+///////////////////////////////////////////////////
+// For MILC use; pass three link U's and 1 link U
+///////////////////////////////////////////////////
 template <class Impl>
-void ImprovedStaggeredFermion5D<Impl>::ImportGauge(const GaugeField &_Uthin) 
+void ImprovedStaggeredFermion5D<Impl>::ImportGaugeSimple(const GaugeField &_Utriple,const GaugeField &_Ufat) 
 {
-  ImportGauge(_Uthin,_Uthin);
-};
+  /////////////////////////////////////////////////////////////////
+  // Trivial import; phases and fattening and such like preapplied
+  /////////////////////////////////////////////////////////////////
+  for (int mu = 0; mu < Nd; mu++) {
+
+    auto U = PeekIndex<LorentzIndex>(_Utriple, mu);
+    Impl::InsertGaugeField(UUUmu,U,mu);
+
+    U = adj( Cshift(U, mu, -3));
+    Impl::InsertGaugeField(UUUmu,-U,mu+4);
+
+    U = PeekIndex<LorentzIndex>(_Ufat, mu);
+    Impl::InsertGaugeField(Umu,U,mu);
+
+    U = adj( Cshift(U, mu, -1));
+    Impl::InsertGaugeField(Umu,-U,mu+4);
+
+  }
+  CopyGaugeCheckerboards();
+}
+template <class Impl>
+void ImprovedStaggeredFermion5D<Impl>::ImportGaugeSimple(const DoubledGaugeField &_UUU,const DoubledGaugeField &_U) 
+{
+  /////////////////////////////////////////////////////////////////
+  // Trivial import; phases and fattening and such like preapplied
+  /////////////////////////////////////////////////////////////////
+  Umu   = _U;
+  UUUmu = _UUU;
+  CopyGaugeCheckerboards();
+}
 template<class Impl>
 void ImprovedStaggeredFermion5D<Impl>::ImportGauge(const GaugeField &_Uthin,const GaugeField &_Ufat)
 {
@@ -159,10 +216,7 @@ void ImprovedStaggeredFermion5D<Impl>::ImportGauge(const GaugeField &_Uthin,cons
     PokeIndex<LorentzIndex>(UUUmu, U*(-0.5*c2/u0/u0/u0), mu+4);
   }
 
-  pickCheckerboard(Even, UmuEven, Umu);
-  pickCheckerboard(Odd,  UmuOdd , Umu);
-  pickCheckerboard(Even, UUUmuEven, UUUmu);
-  pickCheckerboard(Odd,  UUUmuOdd, UUUmu);
+  CopyGaugeCheckerboards();
 }
 template<class Impl>
 void ImprovedStaggeredFermion5D<Impl>::DhopDir(const FermionField &in, FermionField &out,int dir5,int disp)
@@ -223,6 +277,162 @@ void ImprovedStaggeredFermion5D<Impl>::DhopDerivOE(GaugeField &mat,
   assert(0);
 }
 
+/*CHANGE */
+template<class Impl>
+void ImprovedStaggeredFermion5D<Impl>::DhopInternal(StencilImpl & st, LebesgueOrder &lo,
+						    DoubledGaugeField & U,DoubledGaugeField & UUU,
+						    const FermionField &in, FermionField &out,int dag)
+{
+#ifdef GRID_OMP
+  if ( StaggeredKernelsStatic::Comms == StaggeredKernelsStatic::CommsAndCompute )
+    DhopInternalOverlappedComms(st,lo,U,UUU,in,out,dag);
+  else
+#endif
+    DhopInternalSerialComms(st,lo,U,UUU,in,out,dag);
+}
+
+template<class Impl>
+void ImprovedStaggeredFermion5D<Impl>::DhopInternalOverlappedComms(StencilImpl & st, LebesgueOrder &lo,
+								   DoubledGaugeField & U,DoubledGaugeField & UUU,
+								   const FermionField &in, FermionField &out,int dag)
+{
+#ifdef GRID_OMP
+  //  assert((dag==DaggerNo) ||(dag==DaggerYes));
+
+  Compressor compressor; 
+
+  int LLs = in._grid->_rdimensions[0];
+  int len =  U._grid->oSites();
+
+  DhopFaceTime-=usecond();
+  st.Prepare();
+  st.HaloGather(in,compressor);
+  //  st.HaloExchangeOptGather(in,compressor); // Wilson compressor
+  st.CommsMergeSHM(compressor);// Could do this inside parallel region overlapped with comms
+  DhopFaceTime+=usecond();
+
+  double ctime=0;
+  double ptime=0;
+
+  //////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Ugly explicit thread mapping introduced for OPA reasons.
+  //////////////////////////////////////////////////////////////////////////////////////////////////////
+#pragma omp parallel reduction(max:ctime) reduction(max:ptime)
+  {
+    int tid = omp_get_thread_num();
+    int nthreads = omp_get_num_threads();
+    int ncomms = CartesianCommunicator::nCommThreads;
+    if (ncomms == -1) ncomms = 1;
+    assert(nthreads > ncomms);
+    if (tid >= ncomms) {
+      double start = usecond();
+      nthreads -= ncomms;
+      int ttid  = tid - ncomms;
+      int n     = U._grid->oSites(); // 4d vol
+      int chunk = n / nthreads;
+      int rem   = n % nthreads;
+      int myblock, myn;
+      if (ttid < rem) {
+        myblock = ttid * chunk + ttid;
+        myn = chunk+1;
+      } else {
+        myblock = ttid*chunk + rem;
+        myn = chunk;
+      }
+
+      // do the compute
+      if (dag == DaggerYes) {
+        for (int ss = myblock; ss < myblock+myn; ++ss) {
+          int sU = ss;
+	  // Interior = 1; Exterior = 0; must implement for staggered
+          Kernels::DhopSiteDag(st,lo,U,UUU,st.CommBuf(),LLs,sU,in,out,1,0); //<---------
+        }
+      } else {
+        for (int ss = myblock; ss < myblock+myn; ++ss) {
+	  // Interior = 1; Exterior = 0;
+          int sU = ss;
+          Kernels::DhopSite(st,lo,U,UUU,st.CommBuf(),LLs,sU,in,out,1,0); //<------------
+        }
+      }
+        ptime = usecond() - start;
+    } else {
+      double start = usecond();
+      st.CommunicateThreaded();
+      ctime = usecond() - start;
+    }
+  }
+  DhopCommTime += ctime;
+  DhopComputeTime+=ptime;
+
+  // First to enter, last to leave timing
+  st.CollateThreads();
+
+  DhopFaceTime-=usecond();
+  st.CommsMerge(compressor);
+  DhopFaceTime+=usecond();
+
+  DhopComputeTime2-=usecond();
+  if (dag == DaggerYes) {
+    int sz=st.surface_list.size();
+    parallel_for (int ss = 0; ss < sz; ss++) {
+      int sU = st.surface_list[ss];
+      Kernels::DhopSiteDag(st,lo,U,UUU,st.CommBuf(),LLs,sU,in,out,0,1); //<----------
+    }
+  } else {
+    int sz=st.surface_list.size();
+    parallel_for (int ss = 0; ss < sz; ss++) {
+      int sU = st.surface_list[ss];
+      Kernels::DhopSite(st,lo,U,UUU,st.CommBuf(),LLs,sU,in,out,0,1);//<----------
+    }
+  }
+  DhopComputeTime2+=usecond();
+#else
+  assert(0);
+#endif
+
+}
+
+template<class Impl>
+void ImprovedStaggeredFermion5D<Impl>::DhopInternalSerialComms(StencilImpl & st, LebesgueOrder &lo,
+						    DoubledGaugeField & U,DoubledGaugeField & UUU,
+						    const FermionField &in, FermionField &out,int dag)
+{
+  Compressor compressor;
+  int LLs = in._grid->_rdimensions[0];
+
+
+
+ //double t1=usecond();
+  DhopTotalTime -= usecond();
+  DhopCommTime -= usecond();
+  st.HaloExchange(in,compressor);
+  DhopCommTime += usecond();
+  
+  DhopComputeTime -= usecond();
+  // Dhop takes the 4d grid from U, and makes a 5d index for fermion
+  if (dag == DaggerYes) {
+    parallel_for (int ss = 0; ss < U._grid->oSites(); ss++) {
+      int sU=ss;
+      Kernels::DhopSiteDag(st, lo, U, UUU, st.CommBuf(), LLs, sU,in, out);
+    }
+  } else {
+    parallel_for (int ss = 0; ss < U._grid->oSites(); ss++) {
+      int sU=ss;
+      Kernels::DhopSite(st,lo,U,UUU,st.CommBuf(),LLs,sU,in,out);
+    }
+  }
+  DhopComputeTime += usecond();
+  DhopTotalTime   += usecond();
+ //double t2=usecond();
+ //std::cout << __FILE__ << " " << __func__  << " Total Time " << DhopTotalTime << std::endl;
+ //std::cout << __FILE__ << " " << __func__  << " Total Time Org " << t2-t1 << std::endl;
+ //std::cout << __FILE__ << " " << __func__  << " Comml Time " << DhopCommTime << std::endl;
+ //std::cout << __FILE__ << " " << __func__  << " Compute Time " << DhopComputeTime << std::endl;
+
+}
+/*CHANGE END*/
+
+/* ORG
 template<class Impl>
 void ImprovedStaggeredFermion5D<Impl>::DhopInternal(StencilImpl & st, LebesgueOrder &lo,
 						    DoubledGaugeField & U,DoubledGaugeField & UUU,
@@ -254,6 +464,7 @@ void ImprovedStaggeredFermion5D<Impl>::DhopInternal(StencilImpl & st, LebesgueOr
   DhopComputeTime += usecond();
   DhopTotalTime   += usecond();
 }
+*/
 
 
 template<class Impl>
@@ -336,6 +547,9 @@ void ImprovedStaggeredFermion5D<Impl>::ZeroCounters(void)
   DhopTotalTime    = 0;
   DhopCommTime    = 0;
   DhopComputeTime = 0;
+  DhopFaceTime    = 0;
+
+
   Stencil.ZeroCounters();
   StencilEven.ZeroCounters();
   StencilOdd.ZeroCounters();

lib/qcd/action/fermion/ImprovedStaggeredFermion5D.h

@@ -64,6 +64,8 @@ namespace QCD {
       double DhopCalls;
       double DhopCommTime;
       double DhopComputeTime;
+      double DhopComputeTime2;
+      double DhopFaceTime;
 
       ///////////////////////////////////////////////////////////////
       // Implement the abstract base
@@ -119,7 +121,27 @@ namespace QCD {
 		      FermionField &out,
 		      int dag);
     
+    void DhopInternalOverlappedComms(StencilImpl & st,
+		      LebesgueOrder &lo,
+		      DoubledGaugeField &U,
+		      DoubledGaugeField &UUU,
+		      const FermionField &in, 
+		      FermionField &out,
+		      int dag);
+
+    void DhopInternalSerialComms(StencilImpl & st,
+		      LebesgueOrder &lo,
+		      DoubledGaugeField &U,
+		      DoubledGaugeField &UUU,
+		      const FermionField &in, 
+		      FermionField &out,
+		      int dag);
+    
+    
     // Constructors
+    ////////////////////////////////////////////////////////////////////////////////////////////////
+    // Grid internal interface -- Thin link and fat link, with coefficients
+    ////////////////////////////////////////////////////////////////////////////////////////////////
     ImprovedStaggeredFermion5D(GaugeField &_Uthin,
 			       GaugeField &_Ufat,
 			       GridCartesian         &FiveDimGrid,
@@ -127,17 +149,37 @@ namespace QCD {
 			       GridCartesian         &FourDimGrid,
 			       GridRedBlackCartesian &FourDimRedBlackGrid,
 			       double _mass,
-			       RealD _c1=9.0/8.0, RealD _c2=-1.0/24.0,RealD _u0=1.0,
+			       RealD _c1, RealD _c2,RealD _u0,
 			       const ImplParams &p= ImplParams());
-    
-    // DoubleStore
-    void ImportGauge(const GaugeField &_U);
-    void ImportGauge(const GaugeField &_Uthin,const GaugeField &_Ufat);
+    ////////////////////////////////////////////////////////////////////////////////////////////////
+    // MILC constructor ; triple links, no rescale factors; must be externally pre multiplied
+    ////////////////////////////////////////////////////////////////////////////////////////////////
+    ImprovedStaggeredFermion5D(GridCartesian         &FiveDimGrid,
+			       GridRedBlackCartesian &FiveDimRedBlackGrid,
+			       GridCartesian         &FourDimGrid,
+			       GridRedBlackCartesian &FourDimRedBlackGrid,
+			       double _mass,
+			       RealD _c1=1.0, RealD _c2=1.0,RealD _u0=1.0,
+			       const ImplParams &p= ImplParams());
+
+    // DoubleStore gauge field in operator
+    void ImportGauge      (const GaugeField &_Uthin ) { assert(0); }
+    void ImportGauge      (const GaugeField &_Uthin  ,const GaugeField &_Ufat);
+    void ImportGaugeSimple(const GaugeField &_UUU,const GaugeField &_U);
+    void ImportGaugeSimple(const DoubledGaugeField &_UUU,const DoubledGaugeField &_U);
+    // Give a reference; can be used to do an assignment or copy back out after import
+    // if Carleton wants to cache them and not use the ImportSimple
+    DoubledGaugeField &GetU(void)   { return Umu ; } ;
+    DoubledGaugeField &GetUUU(void) { return UUUmu; };
+    void CopyGaugeCheckerboards(void);
     
     ///////////////////////////////////////////////////////////////
     // Data members require to support the functionality
     ///////////////////////////////////////////////////////////////
   public:
+
+    virtual int   isTrivialEE(void) { return 1; };
+    virtual RealD Mass(void) { return mass; }
     
     GridBase *_FourDimGrid;
     GridBase *_FourDimRedBlackGrid;

lib/qcd/action/fermion/MobiusEOFAFermionvec.cc

@@ -853,7 +853,8 @@ namespace QCD {
 
               a0 = a0 + incr;
               a1 = a1 + incr;
-              a2 = a2 + sizeof(Simd::scalar_type);
+              a2 = a2 + sizeof(typename Simd::scalar_type); 
+              a2 = a2 + sizeof(typename Simd::scalar_type); // ypj [debug]
             }
           }
 

lib/qcd/action/fermion/PartialFractionFermion5D.cc

@@ -396,6 +396,27 @@ namespace Grid {
       amax=zolo_hi;
     }
 
+    template<class Impl>
+    void PartialFractionFermion5D<Impl>::ExportPhysicalFermionSolution(const FermionField &solution5d,FermionField &exported4d)
+    {
+      int Ls = this->Ls;
+      conformable(solution5d._grid,this->FermionGrid());
+      conformable(exported4d._grid,this->GaugeGrid());
+      ExtractSlice(exported4d, solution5d, Ls-1, Ls-1);
+    }
+    template<class Impl>
+    void PartialFractionFermion5D<Impl>::ImportPhysicalFermionSource(const FermionField &input4d,FermionField &imported5d)
+    {
+      int Ls = this->Ls;
+      conformable(imported5d._grid,this->FermionGrid());
+      conformable(input4d._grid   ,this->GaugeGrid());
+      FermionField tmp(this->FermionGrid());
+      tmp=zero;
+      InsertSlice(input4d, tmp, Ls-1, Ls-1);
+      tmp=Gamma(Gamma::Algebra::Gamma5)*tmp;
+      this->Dminus(tmp,imported5d);
+    }
+
       // Constructors
     template<class Impl>
     PartialFractionFermion5D<Impl>::PartialFractionFermion5D(GaugeField &_Umu,

lib/qcd/action/fermion/PartialFractionFermion5D.h

@@ -70,6 +70,12 @@ namespace Grid {
       // Efficient support for multigrid coarsening
       virtual void  Mdir (const FermionField &in, FermionField &out,int dir,int disp);
 
+      ///////////////////////////////////////////////////////////////
+      // Physical surface field utilities
+      ///////////////////////////////////////////////////////////////
+      virtual void ExportPhysicalFermionSolution(const FermionField &solution5d,FermionField &exported4d);
+      virtual void ImportPhysicalFermionSource  (const FermionField &input4d,FermionField &imported5d);
+
       // Constructors
       PartialFractionFermion5D(GaugeField &_Umu,
 			       GridCartesian         &FiveDimGrid,

lib/qcd/action/fermion/SchurDiagTwoKappa.h

@@ -1,3 +1,4 @@
+#if 1
     /*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
@@ -97,6 +98,117 @@ namespace Grid {
     }
   };
 
+#if 0
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Copied from DiagTwoSolve
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  template<class Field> class SchurRedBlackDiagTwoSolve {
+  private:
+    OperatorFunction<Field> & _HermitianRBSolver;
+    int CBfactorise;
+  public:
+
+    /////////////////////////////////////////////////////
+    // Wrap the usual normal equations Schur trick
+    /////////////////////////////////////////////////////
+  SchurRedBlackDiagTwoSolve(OperatorFunction<Field> &HermitianRBSolver)  :
+     _HermitianRBSolver(HermitianRBSolver) 
+    { 
+      CBfactorise=0;
+    };
+
+    template<class Matrix>
+      void operator() (Matrix & _Matrix,const Field &in, Field &out){
+
+      // FIXME CGdiagonalMee not implemented virtual function
+      // FIXME use CBfactorise to control schur decomp
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      SchurDiagTwoOperator<Matrix,Field> _HermOpEO(_Matrix);
+ 
+      Field src_e(grid);
+      Field src_o(grid);
+      Field sol_e(grid);
+      Field sol_o(grid);
+      Field   tmp(grid);
+      Field  Mtmp(grid);
+      Field resid(fgrid);
+
+      pickCheckerboard(Even,src_e,in);
+      pickCheckerboard(Odd ,src_o,in);
+      pickCheckerboard(Even,sol_e,out);
+      pickCheckerboard(Odd ,sol_o,out);
+    
+      /////////////////////////////////////////////////////
+      // src_o = Mdag * (source_o - Moe MeeInv source_e)
+      /////////////////////////////////////////////////////
+      _Matrix.MooeeInv(src_e,tmp);     assert(  tmp.checkerboard ==Even);
+      _Matrix.Meooe   (tmp,Mtmp);      assert( Mtmp.checkerboard ==Odd);     
+      tmp=src_o-Mtmp;                  assert(  tmp.checkerboard ==Odd);     
+
+      // get the right MpcDag
+      _HermOpEO.MpcDag(tmp,src_o);     assert(src_o.checkerboard ==Odd);       
+
+      //////////////////////////////////////////////////////////////
+      // Call the red-black solver
+      //////////////////////////////////////////////////////////////
+      std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
+//      _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
+      _HermitianRBSolver(_HermOpEO,src_o,tmp);  assert(tmp.checkerboard==Odd);
+      _Matrix.MooeeInv(tmp,sol_o);        assert(  sol_o.checkerboard   ==Odd);
+
+      ///////////////////////////////////////////////////
+      // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
+      ///////////////////////////////////////////////////
+      _Matrix.Meooe(sol_o,tmp);        assert(  tmp.checkerboard   ==Even);
+      src_e = src_e-tmp;               assert(  src_e.checkerboard ==Even);
+      _Matrix.MooeeInv(src_e,sol_e);   assert(  sol_e.checkerboard ==Even);
+     
+      setCheckerboard(out,sol_e); assert(  sol_e.checkerboard ==Even);
+      setCheckerboard(out,sol_o); assert(  sol_o.checkerboard ==Odd );
+
+      // Verify the unprec residual
+      _Matrix.M(out,resid); 
+      resid = resid-in;
+      RealD ns = norm2(in);
+      RealD nr = norm2(resid);
+
+      std::cout<<GridLogMessage << "SchurRedBlackDiagTwoKappa solver true unprec resid "<< std::sqrt(nr/ns) <<" nr "<< nr <<" ns "<<ns << std::endl;
+    }     
+  };
+#endif
+namespace QCD{
+    //
+    // Determinant is det of middle factor
+    // This assumes Mee is indept of U.
+    //
+    //
+    template<class Impl>
+    class SchurDifferentiableDiagTwo:  public SchurDiagTwoOperator<FermionOperator<Impl>,typename Impl::FermionField> 
+      {
+      public:
+      INHERIT_IMPL_TYPES(Impl);
+
+ 	typedef FermionOperator<Impl> Matrix;
+
+	SchurDifferentiableDiagTwo (Matrix &Mat) : SchurDiagTwoOperator<Matrix,FermionField>(Mat) {};
+    };
+#if 0
+    template<class Impl>
+    class SchurDifferentiableDiagTwoKappa :  public SchurDiagTwoKappaOperator<FermionOperator<Impl>,typename Impl::FermionField> 
+      {
+      public:
+      INHERIT_IMPL_TYPES(Impl);
+
+ 	typedef FermionOperator<Impl> Matrix;
+
+	SchurDifferentiableDiagTwoKappa (Matrix &Mat) : SchurDiagTwoKappaOperator<Matrix,FermionField>(Mat) {};
+    };
+#endif
+}
+
 }
 
 #endif
+#endif

lib/qcd/action/fermion/StaggeredKernels.cc

@@ -32,223 +32,241 @@ namespace Grid {
 namespace QCD {
 
 int StaggeredKernelsStatic::Opt= StaggeredKernelsStatic::OptGeneric;
+int StaggeredKernelsStatic::Comms = StaggeredKernelsStatic::CommsAndCompute;
+
+#define GENERIC_STENCIL_LEG(U,Dir,skew,multLink)		\
+  SE = st.GetEntry(ptype, Dir+skew, sF);			\
+  if (SE->_is_local ) {						\
+    if (SE->_permute) {						\
+      chi_p = χ						\
+      permute(chi,  in._odata[SE->_offset], ptype);		\
+    } else {							\
+      chi_p = &in._odata[SE->_offset];				\
+    }								\
+  } else {							\
+    chi_p = &buf[SE->_offset];					\
+  }								\
+  multLink(Uchi, U._odata[sU], *chi_p, Dir);			
+
+#define GENERIC_STENCIL_LEG_INT(U,Dir,skew,multLink)		\
+  SE = st.GetEntry(ptype, Dir+skew, sF);			\
+  if (SE->_is_local ) {						\
+    if (SE->_permute) {						\
+      chi_p = χ						\
+      permute(chi,  in._odata[SE->_offset], ptype);		\
+    } else {							\
+      chi_p = &in._odata[SE->_offset];				\
+    }								\
+  } else if ( st.same_node[Dir] ) {				\
+    chi_p = &buf[SE->_offset];					\
+  }								\
+  if (SE->_is_local || st.same_node[Dir] ) {			\
+    multLink(Uchi, U._odata[sU], *chi_p, Dir);			\
+  }
+
+#define GENERIC_STENCIL_LEG_EXT(U,Dir,skew,multLink)		\
+  SE = st.GetEntry(ptype, Dir+skew, sF);			\
+  if ((!SE->_is_local) && (!st.same_node[Dir]) ) {		\
+    nmu++;							\
+    chi_p = &buf[SE->_offset];					\
+    multLink(Uchi, U._odata[sU], *chi_p, Dir);			\
+  }
 
 template <class Impl>
 StaggeredKernels<Impl>::StaggeredKernels(const ImplParams &p) : Base(p){};
 
-////////////////////////////////////////////
+////////////////////////////////////////////////////////////////////////////////////
 // Generic implementation; move to different file?
-////////////////////////////////////////////
-
+// Int, Ext, Int+Ext cases for comms overlap
+////////////////////////////////////////////////////////////////////////////////////
 template <class Impl>
-void StaggeredKernels<Impl>::DhopSiteDepth(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,
-					   SiteSpinor *buf, int sF,
-					   int sU, const FermionField &in, SiteSpinor &out,int threeLink) {
+void StaggeredKernels<Impl>::DhopSiteGeneric(StencilImpl &st, LebesgueOrder &lo, 
+					     DoubledGaugeField &U, DoubledGaugeField &UUU,
+					     SiteSpinor *buf, int LLs, int sU, 
+					     const FermionField &in, FermionField &out, int dag) {
   const SiteSpinor *chi_p;
   SiteSpinor chi;
   SiteSpinor Uchi;
   StencilEntry *SE;
   int ptype;
-  int skew = 0;
-  if (threeLink) skew=8;
-  ///////////////////////////
-  // Xp
-  ///////////////////////////
+  int skew;
 
-  SE = st.GetEntry(ptype, Xp+skew, sF);
-  if (SE->_is_local) {
-    if (SE->_permute) {
-      chi_p = &chi;
-      permute(chi,  in._odata[SE->_offset], ptype);
-    } else {
-      chi_p = &in._odata[SE->_offset];
-    }
-  } else {
-    chi_p = &buf[SE->_offset];
+  for(int s=0;s<LLs;s++){
+    int sF=LLs*sU+s;
+    skew = 0;
+    GENERIC_STENCIL_LEG(U,Xp,skew,Impl::multLink);
+    GENERIC_STENCIL_LEG(U,Yp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(U,Zp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(U,Tp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(U,Xm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(U,Ym,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(U,Zm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(U,Tm,skew,Impl::multLinkAdd);
+    skew=8;
+    GENERIC_STENCIL_LEG(UUU,Xp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(UUU,Yp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(UUU,Zp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(UUU,Tp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(UUU,Xm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(UUU,Ym,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(UUU,Zm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG(UUU,Tm,skew,Impl::multLinkAdd);
+    if ( dag ) { 
+      Uchi = - Uchi;
+    } 
+    vstream(out._odata[sF], Uchi);
   }
-  Impl::multLink(Uchi, U._odata[sU], *chi_p, Xp);
-
-  ///////////////////////////
-  // Yp
-  ///////////////////////////
-  SE = st.GetEntry(ptype, Yp+skew, sF);
-  if (SE->_is_local) {
-    if (SE->_permute) {
-      chi_p = &chi;
-      permute(chi,  in._odata[SE->_offset], ptype);
-    } else {
-      chi_p = &in._odata[SE->_offset];
-    }
-  } else {
-    chi_p = &buf[SE->_offset];
-  }
-  Impl::multLinkAdd(Uchi, U._odata[sU], *chi_p, Yp);
-
-  ///////////////////////////
-  // Zp
-  ///////////////////////////
-  SE = st.GetEntry(ptype, Zp+skew, sF);
-  if (SE->_is_local) {
-    if (SE->_permute) {
-      chi_p = &chi;
-      permute(chi,  in._odata[SE->_offset], ptype);
-    } else {
-      chi_p = &in._odata[SE->_offset];
-    }
-  } else {
-    chi_p = &buf[SE->_offset];
-  }
-  Impl::multLinkAdd(Uchi, U._odata[sU], *chi_p, Zp);
-
-  ///////////////////////////
-  // Tp
-  ///////////////////////////
-  SE = st.GetEntry(ptype, Tp+skew, sF);
-  if (SE->_is_local) {
-    if (SE->_permute) {
-      chi_p = &chi;
-      permute(chi,  in._odata[SE->_offset], ptype);
-    } else {
-      chi_p = &in._odata[SE->_offset];
-    }
-  } else {
-    chi_p = &buf[SE->_offset];
-  }
-  Impl::multLinkAdd(Uchi, U._odata[sU], *chi_p, Tp);
-
-  ///////////////////////////
-  // Xm
-  ///////////////////////////
-  SE = st.GetEntry(ptype, Xm+skew, sF);
-  if (SE->_is_local) {
-    if (SE->_permute) {
-      chi_p = &chi;
-      permute(chi,  in._odata[SE->_offset], ptype);
-    } else {
-      chi_p = &in._odata[SE->_offset];
-    }
-  } else {
-    chi_p = &buf[SE->_offset];
-  }
-  Impl::multLinkAdd(Uchi, U._odata[sU], *chi_p, Xm);
-
-  ///////////////////////////
-  // Ym
-  ///////////////////////////
-  SE = st.GetEntry(ptype, Ym+skew, sF);
-  if (SE->_is_local) {
-    if (SE->_permute) {
-      chi_p = &chi;
-      permute(chi,  in._odata[SE->_offset], ptype);
-    } else {
-      chi_p = &in._odata[SE->_offset];
-    }
-  } else {
-    chi_p = &buf[SE->_offset];
-  }
-  Impl::multLinkAdd(Uchi, U._odata[sU], *chi_p, Ym);
-
-  ///////////////////////////
-  // Zm
-  ///////////////////////////
-  SE = st.GetEntry(ptype, Zm+skew, sF);
-  if (SE->_is_local) {
-    if (SE->_permute) {
-      chi_p = &chi;
-      permute(chi,  in._odata[SE->_offset], ptype);
-    } else {
-      chi_p = &in._odata[SE->_offset];
-    }
-  } else {
-    chi_p = &buf[SE->_offset];
-  }
-  Impl::multLinkAdd(Uchi, U._odata[sU], *chi_p, Zm);
-
-  ///////////////////////////
-  // Tm
-  ///////////////////////////
-  SE = st.GetEntry(ptype, Tm+skew, sF);
-  if (SE->_is_local) {
-    if (SE->_permute) {
-      chi_p = &chi;
-      permute(chi,  in._odata[SE->_offset], ptype);
-    } else {
-      chi_p = &in._odata[SE->_offset];
-    }
-  } else {
-    chi_p = &buf[SE->_offset];
-  }
-  Impl::multLinkAdd(Uchi, U._odata[sU], *chi_p, Tm);
-
-  vstream(out, Uchi);
 };
 
+  ///////////////////////////////////////////////////
+  // Only contributions from interior of our node
+  ///////////////////////////////////////////////////
+template <class Impl>
+void StaggeredKernels<Impl>::DhopSiteGenericInt(StencilImpl &st, LebesgueOrder &lo, 
+						DoubledGaugeField &U, DoubledGaugeField &UUU,
+						SiteSpinor *buf, int LLs, int sU, 
+						const FermionField &in, FermionField &out,int dag) {
+  const SiteSpinor *chi_p;
+  SiteSpinor chi;
+  SiteSpinor Uchi;
+  StencilEntry *SE;
+  int ptype;
+  int skew ;
+
+  for(int s=0;s<LLs;s++){
+    int sF=LLs*sU+s;
+    skew = 0;
+    Uchi=zero;
+    GENERIC_STENCIL_LEG_INT(U,Xp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(U,Yp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(U,Zp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(U,Tp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(U,Xm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(U,Ym,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(U,Zm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(U,Tm,skew,Impl::multLinkAdd);
+    skew=8;
+    GENERIC_STENCIL_LEG_INT(UUU,Xp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(UUU,Yp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(UUU,Zp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(UUU,Tp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(UUU,Xm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(UUU,Ym,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(UUU,Zm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_INT(UUU,Tm,skew,Impl::multLinkAdd);
+    if ( dag ) {
+      Uchi = - Uchi;
+    }
+    vstream(out._odata[sF], Uchi);
+  }
+};
+
+
+  ///////////////////////////////////////////////////
+  // Only contributions from exterior of our node
+  ///////////////////////////////////////////////////
+template <class Impl>
+void StaggeredKernels<Impl>::DhopSiteGenericExt(StencilImpl &st, LebesgueOrder &lo, 
+						DoubledGaugeField &U, DoubledGaugeField &UUU,
+						SiteSpinor *buf, int LLs, int sU,
+						const FermionField &in, FermionField &out,int dag) {
+  const SiteSpinor *chi_p;
+  SiteSpinor chi;
+  SiteSpinor Uchi;
+  StencilEntry *SE;
+  int ptype;
+  int nmu=0;
+  int skew ;
+
+  for(int s=0;s<LLs;s++){
+    int sF=LLs*sU+s;
+    skew = 0;
+    Uchi=zero;
+    GENERIC_STENCIL_LEG_EXT(U,Xp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(U,Yp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(U,Zp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(U,Tp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(U,Xm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(U,Ym,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(U,Zm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(U,Tm,skew,Impl::multLinkAdd);
+    skew=8;
+    GENERIC_STENCIL_LEG_EXT(UUU,Xp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(UUU,Yp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(UUU,Zp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(UUU,Tp,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(UUU,Xm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(UUU,Ym,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(UUU,Zm,skew,Impl::multLinkAdd);
+    GENERIC_STENCIL_LEG_EXT(UUU,Tm,skew,Impl::multLinkAdd);
+
+    if ( nmu ) { 
+      if ( dag ) { 
+	out._odata[sF] = out._odata[sF] - Uchi;
+      } else { 
+	out._odata[sF] = out._odata[sF] + Uchi;
+      }
+    }
+  }
+};
+
+////////////////////////////////////////////////////////////////////////////////////
+// Driving / wrapping routine to select right kernel
+////////////////////////////////////////////////////////////////////////////////////
+
 template <class Impl>
 void StaggeredKernels<Impl>::DhopSiteDag(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, DoubledGaugeField &UUU,
-						  SiteSpinor *buf, int LLs, int sU,
-						  const FermionField &in, FermionField &out) {
-  SiteSpinor naik;
-  SiteSpinor naive;
-  int oneLink  =0;
-  int threeLink=1;
+					 SiteSpinor *buf, int LLs, int sU,
+					 const FermionField &in, FermionField &out,
+					 int interior,int exterior)
+{
   int dag=1;
-  switch(Opt) {
-#ifdef AVX512
-  //FIXME; move the sign into the Asm routine
-  case OptInlineAsm:
-    DhopSiteAsm(st,lo,U,UUU,buf,LLs,sU,in,out);
-    for(int s=0;s<LLs;s++) {
-      int sF=s+LLs*sU;
-      out._odata[sF]=-out._odata[sF];
-    }
-    break;
-#endif
-  case OptHandUnroll:
-    DhopSiteHand(st,lo,U,UUU,buf,LLs,sU,in,out,dag);
-    break;
-  case OptGeneric:
-    for(int s=0;s<LLs;s++){
-       int sF=s+LLs*sU;
-       DhopSiteDepth(st,lo,U,buf,sF,sU,in,naive,oneLink);
-       DhopSiteDepth(st,lo,UUU,buf,sF,sU,in,naik,threeLink);
-       out._odata[sF] =-naive-naik; 
-     }
-    break;
-  default:
-    std::cout<<"Oops Opt = "<<Opt<<std::endl;
-    assert(0);
-    break;
-  }
+  DhopSite(st,lo,U,UUU,buf,LLs,sU,in,out,dag,interior,exterior);
+};
+
+template <class Impl>
+void StaggeredKernels<Impl>::DhopSite(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, DoubledGaugeField &UUU,
+				      SiteSpinor *buf, int LLs, int sU,
+				      const FermionField &in, FermionField &out,
+				      int interior,int exterior)
+{
+  int dag=0;
+  DhopSite(st,lo,U,UUU,buf,LLs,sU,in,out,dag,interior,exterior);
 };
 
 template <class Impl>
 void StaggeredKernels<Impl>::DhopSite(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, DoubledGaugeField &UUU,
 				      SiteSpinor *buf, int LLs,
-				      int sU, const FermionField &in, FermionField &out) 
+				      int sU, const FermionField &in, FermionField &out,
+				      int dag,int interior,int exterior) 
 {
-  int oneLink  =0;
-  int threeLink=1;
-  SiteSpinor naik;
-  SiteSpinor naive;
-  int dag=0;
   switch(Opt) {
 #ifdef AVX512
   case OptInlineAsm:
-    DhopSiteAsm(st,lo,U,UUU,buf,LLs,sU,in,out);
+    if ( interior && exterior ) {
+      DhopSiteAsm(st,lo,U,UUU,buf,LLs,sU,in,out,dag);
+    } else { 
+      std::cout << GridLogError << "Cannot overlap comms and compute with Staggered assembly"<<std::endl;
+      assert(0);
+    }
     break;
 #endif
   case OptHandUnroll:
-    DhopSiteHand(st,lo,U,UUU,buf,LLs,sU,in,out,dag);
+    if ( interior && exterior ) {
+      DhopSiteHand   (st,lo,U,UUU,buf,LLs,sU,in,out,dag);
+    } else if ( interior ) {
+      DhopSiteHandInt(st,lo,U,UUU,buf,LLs,sU,in,out,dag);
+    } else if ( exterior ) {
+      DhopSiteHandExt(st,lo,U,UUU,buf,LLs,sU,in,out,dag);
+    }
     break;
   case OptGeneric:
-    for(int s=0;s<LLs;s++){
-      int sF=LLs*sU+s;
-      //      assert(sF<in._odata.size());
-      //      assert(sU< U._odata.size());
-      //      assert(sF>=0);      assert(sU>=0);
-      DhopSiteDepth(st,lo,U,buf,sF,sU,in,naive,oneLink);
-      DhopSiteDepth(st,lo,UUU,buf,sF,sU,in,naik,threeLink);
-      out._odata[sF] =naive+naik;
+    if ( interior && exterior ) {
+      DhopSiteGeneric   (st,lo,U,UUU,buf,LLs,sU,in,out,dag);
+    } else if ( interior ) {
+      DhopSiteGenericInt(st,lo,U,UUU,buf,LLs,sU,in,out,dag);
+    } else if ( exterior ) {
+      DhopSiteGenericExt(st,lo,U,UUU,buf,LLs,sU,in,out,dag);
     }
     break;
   default:

lib/qcd/action/fermion/StaggeredKernels.h

@@ -38,8 +38,9 @@ namespace QCD {
 class StaggeredKernelsStatic { 
  public:
   enum { OptGeneric, OptHandUnroll, OptInlineAsm };
-  // S-direction is INNERMOST and takes no part in the parity.
-  static int Opt;  // these are a temporary hack
+  enum { CommsAndCompute, CommsThenCompute };
+  static int Opt;
+  static int Comms;
 };
  
 template<class Impl> class StaggeredKernels : public FermionOperator<Impl> , public StaggeredKernelsStatic { 
@@ -53,24 +54,62 @@ public:
    void DhopDir(StencilImpl &st, DoubledGaugeField &U, DoubledGaugeField &UUU, SiteSpinor * buf,
 		      int sF, int sU, const FermionField &in, FermionField &out, int dir,int disp);
 
-   void DhopSiteDepth(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, SiteSpinor * buf,
-		     int sF, int sU, const FermionField &in, SiteSpinor &out,int threeLink);
+   ///////////////////////////////////////////////////////////////////////////////////////
+   // Generic Nc kernels
+   ///////////////////////////////////////////////////////////////////////////////////////
+   void DhopSiteGeneric(StencilImpl &st, LebesgueOrder &lo, 
+			DoubledGaugeField &U, DoubledGaugeField &UUU, 
+			SiteSpinor * buf, int LLs, int sU, 
+			const FermionField &in, FermionField &out,int dag);
+   void DhopSiteGenericInt(StencilImpl &st, LebesgueOrder &lo, 
+			   DoubledGaugeField &U, DoubledGaugeField &UUU, 
+			   SiteSpinor * buf, int LLs, int sU, 
+			   const FermionField &in, FermionField &out,int dag);
+   void DhopSiteGenericExt(StencilImpl &st, LebesgueOrder &lo, 
+			   DoubledGaugeField &U, DoubledGaugeField &UUU,
+			   SiteSpinor * buf, int LLs, int sU, 
+			   const FermionField &in, FermionField &out,int dag);
 
+   ///////////////////////////////////////////////////////////////////////////////////////
+   // Nc=3 specific kernels
+   ///////////////////////////////////////////////////////////////////////////////////////
+   void DhopSiteHand(StencilImpl &st, LebesgueOrder &lo, 
+		     DoubledGaugeField &U,DoubledGaugeField &UUU, 
+		     SiteSpinor * buf, int LLs, int sU, 
+		     const FermionField &in, FermionField &out,int dag);
+   void DhopSiteHandInt(StencilImpl &st, LebesgueOrder &lo, 
+			DoubledGaugeField &U,DoubledGaugeField &UUU, 
+			SiteSpinor * buf, int LLs, int sU, 
+			const FermionField &in, FermionField &out,int dag);
+   void DhopSiteHandExt(StencilImpl &st, LebesgueOrder &lo, 
+			DoubledGaugeField &U,DoubledGaugeField &UUU, 
+			SiteSpinor * buf, int LLs, int sU, 
+			const FermionField &in, FermionField &out,int dag);
 
-   void DhopSiteDepthHand(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, SiteSpinor * buf,
-		     int sF, int sU, const FermionField &in, SiteSpinor&out,int threeLink);
+   ///////////////////////////////////////////////////////////////////////////////////////
+   // Asm Nc=3 specific kernels
+   ///////////////////////////////////////////////////////////////////////////////////////
+   void DhopSiteAsm(StencilImpl &st, LebesgueOrder &lo, 
+		    DoubledGaugeField &U,DoubledGaugeField &UUU, 
+		    SiteSpinor * buf, int LLs, int sU, 
+		    const FermionField &in, FermionField &out,int dag);
+   ///////////////////////////////////////////////////////////////////////////////////////////////////
+   // Generic interface; fan out to right routine
+   ///////////////////////////////////////////////////////////////////////////////////////////////////
+   void DhopSite(StencilImpl &st, LebesgueOrder &lo, 
+		 DoubledGaugeField &U, DoubledGaugeField &UUU, 
+		 SiteSpinor * buf, int LLs, int sU,
+		 const FermionField &in, FermionField &out, int interior=1,int exterior=1);
 
-   void DhopSiteHand(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, DoubledGaugeField &UUU,SiteSpinor * buf,
-		     int LLs, int sU, const FermionField &in, FermionField &out, int dag);
+   void DhopSiteDag(StencilImpl &st, LebesgueOrder &lo, 
+		    DoubledGaugeField &U, DoubledGaugeField &UUU, 
+		    SiteSpinor * buf, int LLs, int sU,
+		    const FermionField &in, FermionField &out, int interior=1,int exterior=1);
 
-   void DhopSiteAsm(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,DoubledGaugeField &UUU, SiteSpinor * buf,
-			 int LLs, int sU, const FermionField &in, FermionField &out);
-      
-   void DhopSite(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, DoubledGaugeField &UUU, SiteSpinor * buf,
-		int sF, int sU, const FermionField &in, FermionField &out);
-
-   void DhopSiteDag(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, DoubledGaugeField &UUU, SiteSpinor *buf, 
-                   int LLs, int sU, const FermionField &in, FermionField &out);
+   void DhopSite(StencilImpl &st, LebesgueOrder &lo, 
+		 DoubledGaugeField &U, DoubledGaugeField &UUU, 
+		 SiteSpinor * buf, int LLs, int sU,
+		 const FermionField &in, FermionField &out, int dag, int interior,int exterior);
   
 public:
 

lib/qcd/action/fermion/StaggeredKernelsAsm.cc

@@ -560,16 +560,53 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
        VSTORE(2,%0,pUChi_02)					\
        : : "r" (out) : "memory" );
 
+#define nREDUCE(out)							\
+  asm (									\
+       VADD(UChi_00,UChi_10,UChi_00)					\
+       VADD(UChi_01,UChi_11,UChi_01)					\
+       VADD(UChi_02,UChi_12,UChi_02)					\
+       VADD(UChi_30,UChi_20,UChi_30)					\
+       VADD(UChi_31,UChi_21,UChi_31)					\
+       VADD(UChi_32,UChi_22,UChi_32)					\
+       VADD(UChi_00,UChi_30,UChi_00)					\
+       VADD(UChi_01,UChi_31,UChi_01)					\
+       VADD(UChi_02,UChi_32,UChi_02)				);	\
+  asm (VZERO(Chi_00)							\
+       VSUB(UChi_00,Chi_00,UChi_00)					\
+       VSUB(UChi_01,Chi_00,UChi_01)					\
+       VSUB(UChi_02,Chi_00,UChi_02)				);	\
+  asm (								\
+       VSTORE(0,%0,pUChi_00)					\
+       VSTORE(1,%0,pUChi_01)					\
+       VSTORE(2,%0,pUChi_02)					\
+       : : "r" (out) : "memory" );
+
 #define REDUCEa(out)					\
   asm (							\
   VADD(UChi_00,UChi_10,UChi_00)				\
   VADD(UChi_01,UChi_11,UChi_01)				\
   VADD(UChi_02,UChi_12,UChi_02)	);			\
+  asm (									\
+       VSTORE(0,%0,pUChi_00)						\
+       VSTORE(1,%0,pUChi_01)						\
+       VSTORE(2,%0,pUChi_02)						\
+       : : "r" (out) : "memory" );
+
+// FIXME is sign right in the VSUB ?
+#define nREDUCEa(out)					\
   asm (							\
-  VSTORE(0,%0,pUChi_00)					\
-  VSTORE(1,%0,pUChi_01)					\
-  VSTORE(2,%0,pUChi_02)					\
-  : : "r" (out) : "memory" );
+  VADD(UChi_00,UChi_10,UChi_00)				\
+  VADD(UChi_01,UChi_11,UChi_01)				\
+  VADD(UChi_02,UChi_12,UChi_02)	);			\
+  asm (VZERO(Chi_00)							\
+       VSUB(UChi_00,Chi_00,UChi_00)					\
+       VSUB(UChi_01,Chi_00,UChi_01)					\
+       VSUB(UChi_02,Chi_00,UChi_02)				);	\
+  asm (									\
+       VSTORE(0,%0,pUChi_00)				\
+       VSTORE(1,%0,pUChi_01)				\
+       VSTORE(2,%0,pUChi_02)				\
+       : : "r" (out) : "memory" );
 
 #define PERMUTE_DIR(dir)			\
       permute##dir(Chi_0,Chi_0);\
@@ -581,10 +618,9 @@ namespace QCD {
 
 template <class Impl>
 void StaggeredKernels<Impl>::DhopSiteAsm(StencilImpl &st, LebesgueOrder &lo, 
-					 DoubledGaugeField &U,
-					 DoubledGaugeField &UUU,
-					 SiteSpinor *buf, int LLs,
-					 int sU, const FermionField &in, FermionField &out) 
+					 DoubledGaugeField &U, DoubledGaugeField &UUU,
+					 SiteSpinor *buf, int LLs, int sU, 
+					 const FermionField &in, FermionField &out,int dag) 
 {
   assert(0);
 };
@@ -645,10 +681,9 @@ void StaggeredKernels<Impl>::DhopSiteAsm(StencilImpl &st, LebesgueOrder &lo,
   // This is the single precision 5th direction vectorised kernel
 #include <simd/Intel512single.h>
 template <> void StaggeredKernels<StaggeredVec5dImplF>::DhopSiteAsm(StencilImpl &st, LebesgueOrder &lo, 
-								    DoubledGaugeField &U,
-								    DoubledGaugeField &UUU,
-								    SiteSpinor *buf, int LLs,
-								    int sU, const FermionField &in, FermionField &out) 
+								    DoubledGaugeField &U, DoubledGaugeField &UUU,
+								    SiteSpinor *buf, int LLs, int sU, 
+								    const FermionField &in, FermionField &out,int dag) 
 {
 #ifdef AVX512
   uint64_t gauge0,gauge1,gauge2,gauge3;
@@ -685,7 +720,11 @@ template <> void StaggeredKernels<StaggeredVec5dImplF>::DhopSiteAsm(StencilImpl
     MULT_ADD_LS(gauge0,gauge1,gauge2,gauge3);
 
     addr0 = (uint64_t) &out._odata[sF];
-    REDUCE(addr0);
+    if ( dag ) {
+      nREDUCE(addr0);
+    } else { 
+      REDUCE(addr0);
+    }
    }
 #else 
     assert(0);
@@ -695,10 +734,9 @@ template <> void StaggeredKernels<StaggeredVec5dImplF>::DhopSiteAsm(StencilImpl
 
 #include <simd/Intel512double.h>
 template <> void StaggeredKernels<StaggeredVec5dImplD>::DhopSiteAsm(StencilImpl &st, LebesgueOrder &lo, 
-								    DoubledGaugeField &U,
-								    DoubledGaugeField &UUU,
-								    SiteSpinor *buf, int LLs,
-								    int sU, const FermionField &in, FermionField &out) 
+								    DoubledGaugeField &U, DoubledGaugeField &UUU,
+								    SiteSpinor *buf, int LLs, int sU, 
+								    const FermionField &in, FermionField &out,int dag) 
 {
 #ifdef AVX512
   uint64_t gauge0,gauge1,gauge2,gauge3;
@@ -734,7 +772,11 @@ template <> void StaggeredKernels<StaggeredVec5dImplD>::DhopSiteAsm(StencilImpl
     MULT_ADD_LS(gauge0,gauge1,gauge2,gauge3);
 
     addr0 = (uint64_t) &out._odata[sF];
-    REDUCE(addr0);
+    if ( dag ) {
+      nREDUCE(addr0);
+    } else { 
+      REDUCE(addr0);
+    }
   }
 #else 
   assert(0);
@@ -776,10 +818,9 @@ template <> void StaggeredKernels<StaggeredVec5dImplD>::DhopSiteAsm(StencilImpl
 
 #include <simd/Intel512single.h>
 template <> void StaggeredKernels<StaggeredImplF>::DhopSiteAsm(StencilImpl &st, LebesgueOrder &lo, 
-								    DoubledGaugeField &U,
-								    DoubledGaugeField &UUU,
-								    SiteSpinor *buf, int LLs,
-								    int sU, const FermionField &in, FermionField &out) 
+							       DoubledGaugeField &U, DoubledGaugeField &UUU,
+							       SiteSpinor *buf, int LLs, int sU, 
+							       const FermionField &in, FermionField &out,int dag) 
 {
 #ifdef AVX512
   uint64_t gauge0,gauge1,gauge2,gauge3;
@@ -832,7 +873,11 @@ template <> void StaggeredKernels<StaggeredImplF>::DhopSiteAsm(StencilImpl &st,
     MULT_ADD_XYZT(gauge2,gauge3);  
 
     addr0 = (uint64_t) &out._odata[sF];
-    REDUCEa(addr0);
+    if ( dag ) { 
+      nREDUCEa(addr0);
+    } else { 
+      REDUCEa(addr0);
+    }
   }
 #else 
   assert(0);
@@ -841,10 +886,9 @@ template <> void StaggeredKernels<StaggeredImplF>::DhopSiteAsm(StencilImpl &st,
 
 #include <simd/Intel512double.h>
 template <> void StaggeredKernels<StaggeredImplD>::DhopSiteAsm(StencilImpl &st, LebesgueOrder &lo, 
-								    DoubledGaugeField &U,
-								    DoubledGaugeField &UUU,
-								    SiteSpinor *buf, int LLs,
-								    int sU, const FermionField &in, FermionField &out) 
+							       DoubledGaugeField &U, DoubledGaugeField &UUU,
+							       SiteSpinor *buf, int LLs, int sU, 
+							       const FermionField &in, FermionField &out,int dag) 
 {
 #ifdef AVX512
   uint64_t gauge0,gauge1,gauge2,gauge3;
@@ -897,7 +941,11 @@ template <> void StaggeredKernels<StaggeredImplD>::DhopSiteAsm(StencilImpl &st,
     MULT_ADD_XYZT(gauge2,gauge3);  
     
     addr0 = (uint64_t) &out._odata[sF];
-    REDUCEa(addr0);
+    if ( dag ) {
+      nREDUCEa(addr0);
+    } else { 
+      REDUCEa(addr0);
+    }
   }
 #else 
   assert(0);
@@ -909,7 +957,7 @@ template <> void StaggeredKernels<StaggeredImplD>::DhopSiteAsm(StencilImpl &st,
 				  DoubledGaugeField &U,			\
 				  DoubledGaugeField &UUU,		\
 				  SiteSpinor *buf, int LLs,		\
-				  int sU, const FermionField &in, FermionField &out);
+				  int sU, const FermionField &in, FermionField &out,int dag);
 
 KERNEL_INSTANTIATE(StaggeredKernels,DhopSiteAsm,StaggeredImplD);
 KERNEL_INSTANTIATE(StaggeredKernels,DhopSiteAsm,StaggeredImplF);

lib/qcd/action/fermion/StaggeredKernelsHand.cc

@@ -28,7 +28,6 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     /*  END LEGAL */
 #include <Grid.h>
 
-#define REGISTER
 
 #define LOAD_CHI(b)		\
   const SiteSpinor & ref (b[offset]);	\
@@ -59,7 +58,7 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     UChi ## _1 += U_12*Chi_2;\
     UChi ## _2 += U_22*Chi_2;
 
-#define MULT_ADD(A,UChi)				\
+#define MULT_ADD(U,A,UChi)			\
   auto & ref(U._odata[sU](A));			\
    Impl::loadLinkElement(U_00,ref()(0,0));      \
    Impl::loadLinkElement(U_10,ref()(1,0));      \
@@ -82,241 +81,319 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 
 
 #define PERMUTE_DIR(dir)			\
-      permute##dir(Chi_0,Chi_0);\
-      permute##dir(Chi_1,Chi_1);\
-      permute##dir(Chi_2,Chi_2);
+  permute##dir(Chi_0,Chi_0);			\
+  permute##dir(Chi_1,Chi_1);			\
+  permute##dir(Chi_2,Chi_2);
+
+
+#define HAND_STENCIL_LEG_BASE(Dir,Perm,skew)	\
+  SE=st.GetEntry(ptype,Dir+skew,sF);	\
+  offset = SE->_offset;			\
+  local  = SE->_is_local;		\
+  perm   = SE->_permute;		\
+  if ( local ) {						\
+    LOAD_CHI(in._odata);					\
+    if ( perm) {						\
+      PERMUTE_DIR(Perm);					\
+    }								\
+  } else {							\
+    LOAD_CHI(buf);						\
+  }								
+
+#define HAND_STENCIL_LEG_BEGIN(Dir,Perm,skew,even)		\
+  HAND_STENCIL_LEG_BASE(Dir,Perm,skew)				\
+  {								\
+    MULT(Dir,even);						\
+  }
+
+#define HAND_STENCIL_LEG(U,Dir,Perm,skew,even)			\
+  HAND_STENCIL_LEG_BASE(Dir,Perm,skew)				\
+  {								\
+    MULT_ADD(U,Dir,even);					\
+  }
+
+
+
+#define HAND_STENCIL_LEG_INT(U,Dir,Perm,skew,even)	\
+  SE=st.GetEntry(ptype,Dir+skew,sF);			\
+  offset = SE->_offset;					\
+  local  = SE->_is_local;				\
+  perm   = SE->_permute;				\
+  if ( local ) {					\
+    LOAD_CHI(in._odata);				\
+    if ( perm) {					\
+      PERMUTE_DIR(Perm);				\
+    }							\
+  } else if ( st.same_node[Dir] ) {			\
+    LOAD_CHI(buf);					\
+  }							\
+  if (SE->_is_local || st.same_node[Dir] ) {		\
+    MULT_ADD(U,Dir,even);				\
+  }
+
+#define HAND_STENCIL_LEG_EXT(U,Dir,Perm,skew,even)	\
+  SE=st.GetEntry(ptype,Dir+skew,sF);			\
+  offset = SE->_offset;					\
+  local  = SE->_is_local;				\
+  perm   = SE->_permute;				\
+  if ((!SE->_is_local) && (!st.same_node[Dir]) ) {		\
+    nmu++;							\
+    { LOAD_CHI(buf);	  }					\
+    { MULT_ADD(U,Dir,even); }					\
+  }								
 
 namespace Grid {
 namespace QCD {
 
 
 template <class Impl>
-void StaggeredKernels<Impl>::DhopSiteHand(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,DoubledGaugeField &UUU,
-					  SiteSpinor *buf, int LLs,
-					  int sU, const FermionField &in, FermionField &out, int dag) 
-{
-  SiteSpinor naik; 
-  SiteSpinor naive;
-  int oneLink  =0;
-  int threeLink=1;
-  int skew(0);
-  Real scale(1.0);
-  
-  if(dag) scale = -1.0;
-  
-  for(int s=0;s<LLs;s++){
-    int sF=s+LLs*sU;
-    DhopSiteDepthHand(st,lo,U,buf,sF,sU,in,naive,oneLink);
-    DhopSiteDepthHand(st,lo,UUU,buf,sF,sU,in,naik,threeLink);
-    out._odata[sF] =scale*(naive+naik);
-  }
-}
-
-template <class Impl>
-void StaggeredKernels<Impl>::DhopSiteDepthHand(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,
-					       SiteSpinor *buf, int sF,
-					       int sU, const FermionField &in, SiteSpinor &out,int threeLink) 
+void StaggeredKernels<Impl>::DhopSiteHand(StencilImpl &st, LebesgueOrder &lo, 
+					  DoubledGaugeField &U,DoubledGaugeField &UUU,
+					  SiteSpinor *buf, int LLs, int sU, 
+					  const FermionField &in, FermionField &out,int dag) 
 {
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
 
-  REGISTER Simd even_0; // 12 regs on knc
-  REGISTER Simd even_1;
-  REGISTER Simd even_2;
-  REGISTER Simd odd_0; // 12 regs on knc
-  REGISTER Simd odd_1;
-  REGISTER Simd odd_2;
+  Simd even_0; // 12 regs on knc
+  Simd even_1;
+  Simd even_2;
+  Simd odd_0; // 12 regs on knc
+  Simd odd_1;
+  Simd odd_2;
 
-  REGISTER Simd Chi_0;    // two spinor; 6 regs
-  REGISTER Simd Chi_1;
-  REGISTER Simd Chi_2;
-
-  REGISTER Simd U_00;  // two rows of U matrix
-  REGISTER Simd U_10;
-  REGISTER Simd U_20;  
-  REGISTER Simd U_01;
-  REGISTER Simd U_11;
-  REGISTER Simd U_21;  // 2 reg left.
-  REGISTER Simd U_02;
-  REGISTER Simd U_12;
-  REGISTER Simd U_22; 
-
-  int skew = 0;
-  if (threeLink) skew=8;
+  Simd Chi_0;    // two spinor; 6 regs
+  Simd Chi_1;
+  Simd Chi_2;
+  
+  Simd U_00;  // two rows of U matrix
+  Simd U_10;
+  Simd U_20;  
+  Simd U_01;
+  Simd U_11;
+  Simd U_21;  // 2 reg left.
+  Simd U_02;
+  Simd U_12;
+  Simd U_22; 
 
+  SiteSpinor result;
   int offset,local,perm, ptype;
+
   StencilEntry *SE;
+  int skew;
 
-  // Xp
-  SE=st.GetEntry(ptype,Xp+skew,sF);
-  offset = SE->_offset;
-  local  = SE->_is_local;
-  perm   = SE->_permute;
-  
-  if ( local ) {
-    LOAD_CHI(in._odata);
-    if ( perm) {
-      PERMUTE_DIR(3); // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
-    }
-  } else { 
-    LOAD_CHI(buf);
-  }
-  {
-    MULT(Xp,even);
-  }
-  
-  // Yp
-  SE=st.GetEntry(ptype,Yp+skew,sF);
-  offset = SE->_offset;
-  local  = SE->_is_local;
-  perm   = SE->_permute;
-  
-  if ( local ) {
-    LOAD_CHI(in._odata);
-    if ( perm) {
-      PERMUTE_DIR(2); // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
-    }
-  } else { 
-    LOAD_CHI(buf);
-  }
-  {
-    MULT(Yp,odd);
-  }
+  for(int s=0;s<LLs;s++){
+    int sF=s+LLs*sU;
 
-
-  // Zp
-  SE=st.GetEntry(ptype,Zp+skew,sF);
-  offset = SE->_offset;
-  local  = SE->_is_local;
-  perm   = SE->_permute;
-  
-  if ( local ) {
-    LOAD_CHI(in._odata);
-    if ( perm) {
-      PERMUTE_DIR(1); // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
+    skew = 0;
+    HAND_STENCIL_LEG_BEGIN(Xp,3,skew,even);  
+    HAND_STENCIL_LEG_BEGIN(Yp,2,skew,odd);   
+    HAND_STENCIL_LEG      (U,Zp,1,skew,even);  
+    HAND_STENCIL_LEG      (U,Tp,0,skew,odd);  
+    HAND_STENCIL_LEG      (U,Xm,3,skew,even);  
+    HAND_STENCIL_LEG      (U,Ym,2,skew,odd);   
+    HAND_STENCIL_LEG      (U,Zm,1,skew,even);  
+    HAND_STENCIL_LEG      (U,Tm,0,skew,odd);  
+    skew = 8;
+    HAND_STENCIL_LEG(UUU,Xp,3,skew,even);  
+    HAND_STENCIL_LEG(UUU,Yp,2,skew,odd);   
+    HAND_STENCIL_LEG(UUU,Zp,1,skew,even);  
+    HAND_STENCIL_LEG(UUU,Tp,0,skew,odd);  
+    HAND_STENCIL_LEG(UUU,Xm,3,skew,even);  
+    HAND_STENCIL_LEG(UUU,Ym,2,skew,odd);   
+    HAND_STENCIL_LEG(UUU,Zm,1,skew,even);  
+    HAND_STENCIL_LEG(UUU,Tm,0,skew,odd);  
+    
+    if ( dag ) {
+      result()()(0) = - even_0 - odd_0;
+      result()()(1) = - even_1 - odd_1;
+      result()()(2) = - even_2 - odd_2;
+    } else { 
+      result()()(0) = even_0 + odd_0;
+      result()()(1) = even_1 + odd_1;
+      result()()(2) = even_2 + odd_2;
     }
-  } else { 
-    LOAD_CHI(buf);
+    vstream(out._odata[sF],result);
   }
-  {
-    MULT_ADD(Zp,even);
-  }
-
-  // Tp
-  SE=st.GetEntry(ptype,Tp+skew,sF);
-  offset = SE->_offset;
-  local  = SE->_is_local;
-  perm   = SE->_permute;
-  
-  if ( local ) {
-    LOAD_CHI(in._odata);
-    if ( perm) {
-      PERMUTE_DIR(0); // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
-    }
-  } else { 
-    LOAD_CHI(buf);
-  }
-  {
-    MULT_ADD(Tp,odd);
-  }
-  
-  // Xm
-  SE=st.GetEntry(ptype,Xm+skew,sF);
-  offset = SE->_offset;
-  local  = SE->_is_local;
-  perm   = SE->_permute;
-  
-  if ( local ) {
-    LOAD_CHI(in._odata);
-    if ( perm) {
-      PERMUTE_DIR(3); // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
-    }
-  } else { 
-    LOAD_CHI(buf);
-  }
-  {
-    MULT_ADD(Xm,even);
-  }
-  
-  
-  // Ym
-  SE=st.GetEntry(ptype,Ym+skew,sF);
-  offset = SE->_offset;
-  local  = SE->_is_local;
-  perm   = SE->_permute;
-  
-  if ( local ) {
-    LOAD_CHI(in._odata);
-    if ( perm) {
-      PERMUTE_DIR(2); // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
-    }
-  } else { 
-    LOAD_CHI(buf);
-  }
-  {
-    MULT_ADD(Ym,odd);
-  }
-
-  // Zm
-  SE=st.GetEntry(ptype,Zm+skew,sF);
-  offset = SE->_offset;
-  local  = SE->_is_local;
-  perm   = SE->_permute;
-  
-  if ( local ) {
-    LOAD_CHI(in._odata);
-    if ( perm) {
-      PERMUTE_DIR(1); // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
-    }
-  } else { 
-    LOAD_CHI(buf);
-  }
-  {
-    MULT_ADD(Zm,even);
-  }
-
-  // Tm
-  SE=st.GetEntry(ptype,Tm+skew,sF);
-  offset = SE->_offset;
-  local  = SE->_is_local;
-  perm   = SE->_permute;
-  
-  if ( local ) {
-    LOAD_CHI(in._odata);
-    if ( perm) {
-      PERMUTE_DIR(0); // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
-    }
-  } else { 
-    LOAD_CHI(buf);
-  }
-  {
-    MULT_ADD(Tm,odd);
-  }
-
-  vstream(out()()(0),even_0+odd_0);
-  vstream(out()()(1),even_1+odd_1);
-  vstream(out()()(2),even_2+odd_2);
-
 }
 
+
+template <class Impl>
+void StaggeredKernels<Impl>::DhopSiteHandInt(StencilImpl &st, LebesgueOrder &lo, 
+					     DoubledGaugeField &U, DoubledGaugeField &UUU,
+					     SiteSpinor *buf, int LLs, int sU, 
+					     const FermionField &in, FermionField &out,int dag) 
+{
+  typedef typename Simd::scalar_type S;
+  typedef typename Simd::vector_type V;
+
+  Simd even_0; // 12 regs on knc
+  Simd even_1;
+  Simd even_2;
+  Simd odd_0; // 12 regs on knc
+  Simd odd_1;
+  Simd odd_2;
+
+  Simd Chi_0;    // two spinor; 6 regs
+  Simd Chi_1;
+  Simd Chi_2;
+  
+  Simd U_00;  // two rows of U matrix
+  Simd U_10;
+  Simd U_20;  
+  Simd U_01;
+  Simd U_11;
+  Simd U_21;  // 2 reg left.
+  Simd U_02;
+  Simd U_12;
+  Simd U_22; 
+
+  SiteSpinor result;
+  int offset,local,perm, ptype;
+
+  StencilEntry *SE;
+  int skew;
+
+  for(int s=0;s<LLs;s++){
+    int sF=s+LLs*sU;
+
+    even_0 = zero;    even_1 = zero;    even_2 = zero;
+     odd_0 = zero;     odd_1 = zero;     odd_2 = zero;
+
+    skew = 0;
+    HAND_STENCIL_LEG_INT(U,Xp,3,skew,even);  
+    HAND_STENCIL_LEG_INT(U,Yp,2,skew,odd);   
+    HAND_STENCIL_LEG_INT(U,Zp,1,skew,even);  
+    HAND_STENCIL_LEG_INT(U,Tp,0,skew,odd);  
+    HAND_STENCIL_LEG_INT(U,Xm,3,skew,even);  
+    HAND_STENCIL_LEG_INT(U,Ym,2,skew,odd);   
+    HAND_STENCIL_LEG_INT(U,Zm,1,skew,even);  
+    HAND_STENCIL_LEG_INT(U,Tm,0,skew,odd);  
+    skew = 8;
+    HAND_STENCIL_LEG_INT(UUU,Xp,3,skew,even);  
+    HAND_STENCIL_LEG_INT(UUU,Yp,2,skew,odd);   
+    HAND_STENCIL_LEG_INT(UUU,Zp,1,skew,even);  
+    HAND_STENCIL_LEG_INT(UUU,Tp,0,skew,odd);  
+    HAND_STENCIL_LEG_INT(UUU,Xm,3,skew,even);  
+    HAND_STENCIL_LEG_INT(UUU,Ym,2,skew,odd);   
+    HAND_STENCIL_LEG_INT(UUU,Zm,1,skew,even);  
+    HAND_STENCIL_LEG_INT(UUU,Tm,0,skew,odd);  
+
+    // Assume every site must be connected to at least one interior point. No 1^4 subvols.
+    if ( dag ) {
+      result()()(0) = - even_0 - odd_0;
+      result()()(1) = - even_1 - odd_1;
+      result()()(2) = - even_2 - odd_2;
+    } else { 
+      result()()(0) = even_0 + odd_0;
+      result()()(1) = even_1 + odd_1;
+      result()()(2) = even_2 + odd_2;
+    }
+    vstream(out._odata[sF],result);
+  }
+}
+
+
+template <class Impl>
+void StaggeredKernels<Impl>::DhopSiteHandExt(StencilImpl &st, LebesgueOrder &lo, 
+					     DoubledGaugeField &U, DoubledGaugeField &UUU,
+					     SiteSpinor *buf, int LLs, int sU, 
+					     const FermionField &in, FermionField &out,int dag) 
+{
+  typedef typename Simd::scalar_type S;
+  typedef typename Simd::vector_type V;
+
+  Simd even_0; // 12 regs on knc
+  Simd even_1;
+  Simd even_2;
+  Simd odd_0; // 12 regs on knc
+  Simd odd_1;
+  Simd odd_2;
+
+  Simd Chi_0;    // two spinor; 6 regs
+  Simd Chi_1;
+  Simd Chi_2;
+  
+  Simd U_00;  // two rows of U matrix
+  Simd U_10;
+  Simd U_20;  
+  Simd U_01;
+  Simd U_11;
+  Simd U_21;  // 2 reg left.
+  Simd U_02;
+  Simd U_12;
+  Simd U_22; 
+
+  SiteSpinor result;
+  int offset,local,perm, ptype;
+
+  StencilEntry *SE;
+  int skew;
+
+  for(int s=0;s<LLs;s++){
+    int sF=s+LLs*sU;
+
+    even_0 = zero;    even_1 = zero;    even_2 = zero;
+     odd_0 = zero;     odd_1 = zero;     odd_2 = zero;
+    int nmu=0;
+    skew = 0;
+    HAND_STENCIL_LEG_EXT(U,Xp,3,skew,even);  
+    HAND_STENCIL_LEG_EXT(U,Yp,2,skew,odd);   
+    HAND_STENCIL_LEG_EXT(U,Zp,1,skew,even);  
+    HAND_STENCIL_LEG_EXT(U,Tp,0,skew,odd);  
+    HAND_STENCIL_LEG_EXT(U,Xm,3,skew,even);  
+    HAND_STENCIL_LEG_EXT(U,Ym,2,skew,odd);   
+    HAND_STENCIL_LEG_EXT(U,Zm,1,skew,even);  
+    HAND_STENCIL_LEG_EXT(U,Tm,0,skew,odd);  
+    skew = 8;
+    HAND_STENCIL_LEG_EXT(UUU,Xp,3,skew,even);  
+    HAND_STENCIL_LEG_EXT(UUU,Yp,2,skew,odd);   
+    HAND_STENCIL_LEG_EXT(UUU,Zp,1,skew,even);  
+    HAND_STENCIL_LEG_EXT(UUU,Tp,0,skew,odd);  
+    HAND_STENCIL_LEG_EXT(UUU,Xm,3,skew,even);  
+    HAND_STENCIL_LEG_EXT(UUU,Ym,2,skew,odd);   
+    HAND_STENCIL_LEG_EXT(UUU,Zm,1,skew,even);  
+    HAND_STENCIL_LEG_EXT(UUU,Tm,0,skew,odd);  
+
+    // Add sum of all exterior connected stencil legs
+    if ( nmu ) { 
+      if ( dag ) {
+	result()()(0) = - even_0 - odd_0;
+	result()()(1) = - even_1 - odd_1;
+	result()()(2) = - even_2 - odd_2;
+      } else { 
+	result()()(0) = even_0 + odd_0;
+	result()()(1) = even_1 + odd_1;
+	result()()(2) = even_2 + odd_2;
+      }
+      out._odata[sF] = out._odata[sF] + result;
+    }
+  }
+}
+
+
 #define DHOP_SITE_HAND_INSTANTIATE(IMPL)				\
   template void StaggeredKernels<IMPL>::DhopSiteHand(StencilImpl &st, LebesgueOrder &lo, \
 						     DoubledGaugeField &U,DoubledGaugeField &UUU, \
-						     SiteSpinor *buf, int LLs, \
-						     int sU, const FermionField &in, FermionField &out, int dag);
+						     SiteSpinor *buf, int LLs, int sU, \
+						     const FermionField &in, FermionField &out, int dag); \
+									\
+  template void StaggeredKernels<IMPL>::DhopSiteHandInt(StencilImpl &st, LebesgueOrder &lo, \
+						     DoubledGaugeField &U,DoubledGaugeField &UUU, \
+						     SiteSpinor *buf, int LLs, int sU, \
+						     const FermionField &in, FermionField &out, int dag); \
+									\
+  template void StaggeredKernels<IMPL>::DhopSiteHandExt(StencilImpl &st, LebesgueOrder &lo, \
+						     DoubledGaugeField &U,DoubledGaugeField &UUU, \
+						     SiteSpinor *buf, int LLs, int sU, \
+						     const FermionField &in, FermionField &out, int dag); \
 
-#define DHOP_SITE_DEPTH_HAND_INSTANTIATE(IMPL)				\
-  template void StaggeredKernels<IMPL>::DhopSiteDepthHand(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, \
-							  SiteSpinor *buf, int sF, \
-							  int sU, const FermionField &in, SiteSpinor &out,int threeLink) ;
 DHOP_SITE_HAND_INSTANTIATE(StaggeredImplD);
 DHOP_SITE_HAND_INSTANTIATE(StaggeredImplF);
 DHOP_SITE_HAND_INSTANTIATE(StaggeredVec5dImplD);
 DHOP_SITE_HAND_INSTANTIATE(StaggeredVec5dImplF);
 
-DHOP_SITE_DEPTH_HAND_INSTANTIATE(StaggeredImplD);
-DHOP_SITE_DEPTH_HAND_INSTANTIATE(StaggeredImplF);
-DHOP_SITE_DEPTH_HAND_INSTANTIATE(StaggeredVec5dImplD);
-DHOP_SITE_DEPTH_HAND_INSTANTIATE(StaggeredVec5dImplF);
 
-}}
+}
+}
+

lib/qcd/action/fermion/WilsonCompressor.h

@@ -69,39 +69,47 @@ class WilsonCompressorTemplate< _HCspinor, _Hspinor, _Spinor, projector,
   /*****************************************************/
   /* Compress includes precision change if mpi data is not same */
   /*****************************************************/
-  inline void Compress(SiteHalfSpinor *buf,Integer o,const SiteSpinor &in) {
-    projector::Proj(buf[o],in,mu,dag);
+  inline void Compress(SiteHalfSpinor * __restrict__ buf,Integer o,const SiteSpinor &in) {
+    SiteHalfSpinor tmp;
+    projector::Proj(tmp,in,mu,dag);
+    vstream(buf[o],tmp);
   }
 
   /*****************************************************/
   /* Exchange includes precision change if mpi data is not same */
   /*****************************************************/
-  inline void Exchange(SiteHalfSpinor *mp,
-                       SiteHalfSpinor *vp0,
-                       SiteHalfSpinor *vp1,
+  inline void Exchange(SiteHalfSpinor * __restrict__ mp,
+                       const SiteHalfSpinor * __restrict__ vp0,
+                       const SiteHalfSpinor * __restrict__ vp1,
 		       Integer type,Integer o){
-    exchange(mp[2*o],mp[2*o+1],vp0[o],vp1[o],type);
+    SiteHalfSpinor tmp1;
+    SiteHalfSpinor tmp2;
+    exchange(tmp1,tmp2,vp0[o],vp1[o],type);
+    vstream(mp[2*o  ],tmp1);
+    vstream(mp[2*o+1],tmp2);
   }
 
   /*****************************************************/
   /* Have a decompression step if mpi data is not same */
   /*****************************************************/
-  inline void Decompress(SiteHalfSpinor *out,
-			 SiteHalfSpinor *in, Integer o) {    
+  inline void Decompress(SiteHalfSpinor * __restrict__ out,
+			 SiteHalfSpinor * __restrict__ in, Integer o) {    
     assert(0);
   }
 
   /*****************************************************/
   /* Compress Exchange                                 */
   /*****************************************************/
-  inline void CompressExchange(SiteHalfSpinor *out0,
-			       SiteHalfSpinor *out1,
-			       const SiteSpinor *in,
+  inline void CompressExchange(SiteHalfSpinor * __restrict__ out0,
+			       SiteHalfSpinor * __restrict__ out1,
+			       const SiteSpinor * __restrict__ in,
 			       Integer j,Integer k, Integer m,Integer type){
     SiteHalfSpinor temp1, temp2,temp3,temp4;
     projector::Proj(temp1,in[k],mu,dag);
     projector::Proj(temp2,in[m],mu,dag);
-    exchange(out0[j],out1[j],temp1,temp2,type);
+    exchange(temp3,temp4,temp1,temp2,type);
+    vstream(out0[j],temp3);
+    vstream(out1[j],temp4);
   }
 
   /*****************************************************/
@@ -266,41 +274,16 @@ public:
     if ( timer4 ) std::cout << GridLogMessage << " timer4 " <<timer4 <<std::endl;
   }
 
-  std::vector<int> same_node;
-  std::vector<int> surface_list;
-
   WilsonStencil(GridBase *grid,
 		int npoints,
 		int checkerboard,
 		const std::vector<int> &directions,
 		const std::vector<int> &distances)  
-    : CartesianStencil<vobj,cobj> (grid,npoints,checkerboard,directions,distances) ,
-    same_node(npoints)
+    : CartesianStencil<vobj,cobj> (grid,npoints,checkerboard,directions,distances) 
   { 
     ZeroCountersi();
-    surface_list.resize(0);
   };
 
-  void BuildSurfaceList(int Ls,int vol4){
-
-    // find same node for SHM
-    // Here we know the distance is 1 for WilsonStencil
-    for(int point=0;point<this->_npoints;point++){
-      same_node[point] = this->SameNode(point);
-    }
-    
-    for(int site = 0 ;site< vol4;site++){
-      int local = 1;
-      for(int point=0;point<this->_npoints;point++){
-	if( (!this->GetNodeLocal(site*Ls,point)) && (!same_node[point]) ){ 
-	  local = 0;
-	}
-      }
-      if(local == 0) { 
-	surface_list.push_back(site);
-      }
-    }
-  }
 
   template < class compressor>
   void HaloExchangeOpt(const Lattice<vobj> &source,compressor &compress) 
@@ -361,23 +344,23 @@ public:
     int dag = compress.dag;
     int face_idx=0;
     if ( dag ) { 
-      assert(same_node[Xp]==this->HaloGatherDir(source,XpCompress,Xp,face_idx));
-      assert(same_node[Yp]==this->HaloGatherDir(source,YpCompress,Yp,face_idx));
-      assert(same_node[Zp]==this->HaloGatherDir(source,ZpCompress,Zp,face_idx));
-      assert(same_node[Tp]==this->HaloGatherDir(source,TpCompress,Tp,face_idx));
-      assert(same_node[Xm]==this->HaloGatherDir(source,XmCompress,Xm,face_idx));
-      assert(same_node[Ym]==this->HaloGatherDir(source,YmCompress,Ym,face_idx));
-      assert(same_node[Zm]==this->HaloGatherDir(source,ZmCompress,Zm,face_idx));
-      assert(same_node[Tm]==this->HaloGatherDir(source,TmCompress,Tm,face_idx));
+      assert(this->same_node[Xp]==this->HaloGatherDir(source,XpCompress,Xp,face_idx));
+      assert(this->same_node[Yp]==this->HaloGatherDir(source,YpCompress,Yp,face_idx));
+      assert(this->same_node[Zp]==this->HaloGatherDir(source,ZpCompress,Zp,face_idx));
+      assert(this->same_node[Tp]==this->HaloGatherDir(source,TpCompress,Tp,face_idx));
+      assert(this->same_node[Xm]==this->HaloGatherDir(source,XmCompress,Xm,face_idx));
+      assert(this->same_node[Ym]==this->HaloGatherDir(source,YmCompress,Ym,face_idx));
+      assert(this->same_node[Zm]==this->HaloGatherDir(source,ZmCompress,Zm,face_idx));
+      assert(this->same_node[Tm]==this->HaloGatherDir(source,TmCompress,Tm,face_idx));
     } else {
-      assert(same_node[Xp]==this->HaloGatherDir(source,XmCompress,Xp,face_idx));
-      assert(same_node[Yp]==this->HaloGatherDir(source,YmCompress,Yp,face_idx));
-      assert(same_node[Zp]==this->HaloGatherDir(source,ZmCompress,Zp,face_idx));
-      assert(same_node[Tp]==this->HaloGatherDir(source,TmCompress,Tp,face_idx));
-      assert(same_node[Xm]==this->HaloGatherDir(source,XpCompress,Xm,face_idx));
-      assert(same_node[Ym]==this->HaloGatherDir(source,YpCompress,Ym,face_idx));
-      assert(same_node[Zm]==this->HaloGatherDir(source,ZpCompress,Zm,face_idx));
-      assert(same_node[Tm]==this->HaloGatherDir(source,TpCompress,Tm,face_idx));
+      assert(this->same_node[Xp]==this->HaloGatherDir(source,XmCompress,Xp,face_idx));
+      assert(this->same_node[Yp]==this->HaloGatherDir(source,YmCompress,Yp,face_idx));
+      assert(this->same_node[Zp]==this->HaloGatherDir(source,ZmCompress,Zp,face_idx));
+      assert(this->same_node[Tp]==this->HaloGatherDir(source,TmCompress,Tp,face_idx));
+      assert(this->same_node[Xm]==this->HaloGatherDir(source,XpCompress,Xm,face_idx));
+      assert(this->same_node[Ym]==this->HaloGatherDir(source,YpCompress,Ym,face_idx));
+      assert(this->same_node[Zm]==this->HaloGatherDir(source,ZpCompress,Zm,face_idx));
+      assert(this->same_node[Tm]==this->HaloGatherDir(source,TpCompress,Tm,face_idx));
     }
     this->face_table_computed=1;
     assert(this->u_comm_offset==this->_unified_buffer_size);

lib/qcd/action/fermion/WilsonFermion.cc

@@ -348,15 +348,98 @@ void WilsonFermion<Impl>::DhopDirDisp(const FermionField &in, FermionField &out,
   parallel_for (int sss = 0; sss < in._grid->oSites(); sss++) {
     Kernels::DhopDir(Stencil, Umu, Stencil.CommBuf(), sss, sss, in, out, dirdisp, gamma);
   }
-};
-
+} 
+/*Change starts*/
 template <class Impl>
 void WilsonFermion<Impl>::DhopInternal(StencilImpl &st, LebesgueOrder &lo,
                                        DoubledGaugeField &U,
                                        const FermionField &in,
                                        FermionField &out, int dag) {
-  assert((dag == DaggerNo) || (dag == DaggerYes));
+#ifdef GRID_OMP
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute )
+    DhopInternalOverlappedComms(st,lo,U,in,out,dag);
+  else
+#endif 
+    DhopInternalSerial(st,lo,U,in,out,dag);
 
+}
+
+template <class Impl>
+void WilsonFermion<Impl>::DhopInternalOverlappedComms(StencilImpl &st, LebesgueOrder &lo,
+                                       DoubledGaugeField &U,
+                                       const FermionField &in,
+                                       FermionField &out, int dag) {
+  assert((dag == DaggerNo) || (dag == DaggerYes));
+#ifdef GRID_OMP
+  Compressor compressor;
+  int len =  U._grid->oSites();
+  const int LLs =  1;
+
+  st.Prepare();
+  st.HaloGather(in,compressor);
+  st.CommsMergeSHM(compressor);
+#pragma omp parallel
+  {
+    int tid = omp_get_thread_num();
+    int nthreads = omp_get_num_threads();
+    int ncomms = CartesianCommunicator::nCommThreads;
+    if (ncomms == -1) ncomms = 1;
+    assert(nthreads > ncomms);
+    if (tid >= ncomms) {
+      nthreads -= ncomms;
+      int ttid  = tid - ncomms;
+      int n     = len;
+      int chunk = n / nthreads;
+      int rem   = n % nthreads;
+      int myblock, myn;
+      if (ttid < rem) {
+        myblock = ttid * chunk + ttid;
+        myn = chunk+1;
+      } else {
+        myblock = ttid*chunk + rem;
+        myn = chunk;
+      }
+      // do the compute
+     if (dag == DaggerYes) {
+
+        for (int sss = myblock; sss < myblock+myn; ++sss) {
+         Kernels::DhopSiteDag(st, lo, U, st.CommBuf(), sss, sss, 1, 1, in, out);
+       }
+     } else {
+        for (int sss = myblock; sss < myblock+myn; ++sss) {
+         Kernels::DhopSite(st, lo, U, st.CommBuf(), sss, sss, 1, 1, in, out);
+       }
+    } //else
+
+    } else {
+      st.CommunicateThreaded();
+    }
+
+  Compressor compressor(dag);
+
+  if (dag == DaggerYes) {
+    parallel_for (int sss = 0; sss < in._grid->oSites(); sss++) {
+      Kernels::DhopSiteDag(st, lo, U, st.CommBuf(), sss, sss, 1, 1, in, out);
+    }
+  } else {
+    parallel_for (int sss = 0; sss < in._grid->oSites(); sss++) {
+      Kernels::DhopSite(st, lo, U, st.CommBuf(), sss, sss, 1, 1, in, out);
+    }
+  }
+
+  }  //pragma
+#else
+  assert(0);
+#endif
+};
+
+
+template <class Impl>
+void WilsonFermion<Impl>::DhopInternalSerial(StencilImpl &st, LebesgueOrder &lo,
+                                       DoubledGaugeField &U,
+                                       const FermionField &in,
+                                       FermionField &out, int dag) {
+  assert((dag == DaggerNo) || (dag == DaggerYes));
   Compressor compressor(dag);
   st.HaloExchange(in, compressor);
 
@@ -370,6 +453,7 @@ void WilsonFermion<Impl>::DhopInternal(StencilImpl &st, LebesgueOrder &lo,
     }
   }
 };
+/*Change ends */
 
 /*******************************************************************************
  * Conserved current utilities for Wilson fermions, for contracting propagators

lib/qcd/action/fermion/WilsonFermion.h

@@ -130,6 +130,12 @@ class WilsonFermion : public WilsonKernels<Impl>, public WilsonFermionStatic {
   void DhopInternal(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,
                     const FermionField &in, FermionField &out, int dag);
 
+  void DhopInternalSerial(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,
+                    const FermionField &in, FermionField &out, int dag);
+
+  void DhopInternalOverlappedComms(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,
+                    const FermionField &in, FermionField &out, int dag);
+
   // Constructor
   WilsonFermion(GaugeField &_Umu, GridCartesian &Fgrid,
                 GridRedBlackCartesian &Hgrid, RealD _mass, 
@@ -145,6 +151,8 @@ class WilsonFermion : public WilsonKernels<Impl>, public WilsonFermionStatic {
 
   //    protected:
  public:
+  virtual RealD Mass(void) { return mass; }
+  virtual int   isTrivialEE(void) { return 1; };
   RealD mass;
   RealD diag_mass;
 

lib/qcd/action/fermion/WilsonFermion5D.cc

@@ -445,8 +445,7 @@ void WilsonFermion5D<Impl>::DhopInternalOverlappedComms(StencilImpl & st, Lebesg
 	}
       }
 	ptime = usecond() - start;
-    }
-    {
+    } else {
       double start = usecond();
       st.CommunicateThreaded();
       ctime = usecond() - start;

lib/qcd/action/fermion/WilsonKernels.h

@@ -53,7 +53,7 @@ template<class Impl> class WilsonKernels : public FermionOperator<Impl> , public
   typedef FermionOperator<Impl> Base;
    
 public:
-   
+
   template <bool EnableBool = true>
   typename std::enable_if<Impl::isFundamental==true && Nc == 3 &&EnableBool, void>::type
   DhopSite(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, SiteHalfSpinor * buf,
@@ -70,27 +70,27 @@ public:
       break;
 #endif
     case OptHandUnroll:
-      for (int site = 0; site < Ns; site++) {
-	for (int s = 0; s < Ls; s++) {
-	  if(interior&&exterior) WilsonKernels<Impl>::HandDhopSite(st,lo,U,buf,sF,sU,in,out);
-	  else if (interior)     WilsonKernels<Impl>::HandDhopSiteInt(st,lo,U,buf,sF,sU,in,out);
-	  else if (exterior)     WilsonKernels<Impl>::HandDhopSiteExt(st,lo,U,buf,sF,sU,in,out);
-	  sF++;
-	}
-	sU++;
-      }
+         for (int site = 0; site < Ns; site++) {
+	   for (int s = 0; s < Ls; s++) {
+	     if(interior&&exterior) WilsonKernels<Impl>::HandDhopSite(st,lo,U,buf,sF,sU,in,out);
+	     else if (interior)     WilsonKernels<Impl>::HandDhopSiteInt(st,lo,U,buf,sF,sU,in,out);
+	     else if (exterior)     WilsonKernels<Impl>::HandDhopSiteExt(st,lo,U,buf,sF,sU,in,out);
+	     sF++;
+	   }
+	   sU++;
+         }
       break;
     case OptGeneric:
-      for (int site = 0; site < Ns; site++) {
-	for (int s = 0; s < Ls; s++) {
-	  if(interior&&exterior) WilsonKernels<Impl>::GenericDhopSite(st,lo,U,buf,sF,sU,in,out);
-	  else if (interior)     WilsonKernels<Impl>::GenericDhopSiteInt(st,lo,U,buf,sF,sU,in,out);
-	  else if (exterior)     WilsonKernels<Impl>::GenericDhopSiteExt(st,lo,U,buf,sF,sU,in,out);
-	  else assert(0);
-	  sF++;
-	}
-	sU++;
-      }
+         for (int site = 0; site < Ns; site++) {
+	   for (int s = 0; s < Ls; s++) {
+	     if(interior&&exterior) WilsonKernels<Impl>::GenericDhopSite(st,lo,U,buf,sF,sU,in,out);
+	     else if (interior)     WilsonKernels<Impl>::GenericDhopSiteInt(st,lo,U,buf,sF,sU,in,out);
+	     else if (exterior)     WilsonKernels<Impl>::GenericDhopSiteExt(st,lo,U,buf,sF,sU,in,out);
+	     else assert(0);
+	     sF++;
+	   }
+	   sU++;
+       } 
       break;
     default:
       assert(0);
@@ -232,6 +232,7 @@ private:
   void GenericDhopSiteDagExt(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, SiteHalfSpinor * buf,
 			     int sF, int sU, const FermionField &in, FermionField &out);
 
+
   void AsmDhopSite(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U, SiteHalfSpinor * buf,
 		   int sF, int sU, int Ls, int Ns, const FermionField &in,FermionField &out);
 

lib/qcd/action/fermion/WilsonKernelsHand.cc

@@ -30,181 +30,60 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 
 #define REGISTER
 
-#define LOAD_CHIMU_BODY(F)			\
-  Chimu_00=ref(F)(0)(0);			\
-  Chimu_01=ref(F)(0)(1);			\
-  Chimu_02=ref(F)(0)(2);			\
-  Chimu_10=ref(F)(1)(0);			\
-  Chimu_11=ref(F)(1)(1);			\
-  Chimu_12=ref(F)(1)(2);			\
-  Chimu_20=ref(F)(2)(0);			\
-  Chimu_21=ref(F)(2)(1);			\
-  Chimu_22=ref(F)(2)(2);			\
-  Chimu_30=ref(F)(3)(0);			\
-  Chimu_31=ref(F)(3)(1);			\
-  Chimu_32=ref(F)(3)(2)
+#define LOAD_CHIMU \
+  {const SiteSpinor & ref (in._odata[offset]);	\
+    Chimu_00=ref()(0)(0);\
+    Chimu_01=ref()(0)(1);\
+    Chimu_02=ref()(0)(2);\
+    Chimu_10=ref()(1)(0);\
+    Chimu_11=ref()(1)(1);\
+    Chimu_12=ref()(1)(2);\
+    Chimu_20=ref()(2)(0);\
+    Chimu_21=ref()(2)(1);\
+    Chimu_22=ref()(2)(2);\
+    Chimu_30=ref()(3)(0);\
+    Chimu_31=ref()(3)(1);\
+    Chimu_32=ref()(3)(2);}
 
-#define LOAD_CHIMU(DIR,F,PERM)						\
-  { const SiteSpinor & ref (in._odata[offset]); LOAD_CHIMU_BODY(F); }
-
-#define LOAD_CHI_BODY(F)				\
-    Chi_00 = ref(F)(0)(0);\
-    Chi_01 = ref(F)(0)(1);\
-    Chi_02 = ref(F)(0)(2);\
-    Chi_10 = ref(F)(1)(0);\
-    Chi_11 = ref(F)(1)(1);\
-    Chi_12 = ref(F)(1)(2)
-
-#define LOAD_CHI(DIR,F,PERM)					\
-  {const SiteHalfSpinor &ref(buf[offset]); LOAD_CHI_BODY(F); }
-
-
-//G-parity implementations using in-place intrinsic ops
-
-//1l 1h -> 1h 1l
-//0l 0h , 1h 1l -> 0l 1h 0h,1l
-//0h,1l -> 1l,0h
-//if( (distance == 1 && !perm_will_occur) || (distance == -1 && perm_will_occur) )
-//Pulled fermion through forwards face, GPBC on upper component
-//Need 0= 0l 1h   1= 1l 0h
-//else if( (distance == -1 && !perm) || (distance == 1 && perm) )
-//Pulled fermion through backwards face, GPBC on lower component
-//Need 0= 1l 0h   1= 0l 1h
-
-//1l 1h -> 1h 1l
-//0l 0h , 1h 1l -> 0l 1h 0h,1l
-#define DO_TWIST_0L_1H(INTO,S,C,F, PERM, tmp1, tmp2, tmp3)			\
-  permute##PERM(tmp1, ref(1)(S)(C));				\
-  exchange##PERM(tmp2,tmp3, ref(0)(S)(C), tmp1);		\
-  INTO = tmp2;
-
-//0l 0h -> 0h 0l
-//1l 1h, 0h 0l -> 1l 0h, 1h 0l
-#define DO_TWIST_1L_0H(INTO,S,C,F, PERM, tmp1, tmp2, tmp3)			\
-  permute##PERM(tmp1, ref(0)(S)(C));				\
-  exchange##PERM(tmp2,tmp3, ref(1)(S)(C), tmp1);		\
-  INTO = tmp2;
-
-
-
-
-#define LOAD_CHI_SETUP(DIR,F)						\
-  g = F;								\
-  direction = st._directions[DIR];				\
-  distance = st._distances[DIR];				\
-  sl = st._grid->_simd_layout[direction];			\
-  inplace_twist = 0;						\
-  if(SE->_around_the_world && this->Params.twists[DIR % 4]){		\
-    if(sl == 1){							\
-      g = (F+1) % 2;							\
-    }else{								\
-      inplace_twist = 1;						\
-    }									\
-  }  
-
-#define LOAD_CHIMU_GPARITY_INPLACE_TWIST(DIR,F,PERM)			\
-  { const SiteSpinor &ref(in._odata[offset]);				\
-    LOAD_CHI_SETUP(DIR,F);						\
-    if(!inplace_twist){							\
-      LOAD_CHIMU_BODY(g);						\
-    }else{								\
-      if(  ( F==0 && ((distance == 1 && !perm) || (distance == -1 && perm)) ) || \
-	   ( F==1 && ((distance == -1 && !perm) || (distance == 1 && perm)) ) ){ \
-	DO_TWIST_0L_1H(Chimu_00,0,0,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_0L_1H(Chimu_01,0,1,F,PERM,  U_11,U_20,U_21);		\
-	DO_TWIST_0L_1H(Chimu_02,0,2,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_0L_1H(Chimu_10,1,0,F,PERM,  U_11,U_20,U_21);		\
-	DO_TWIST_0L_1H(Chimu_11,1,1,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_0L_1H(Chimu_12,1,2,F,PERM,  U_11,U_20,U_21);		\
-	DO_TWIST_0L_1H(Chimu_20,2,0,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_0L_1H(Chimu_21,2,1,F,PERM,  U_11,U_20,U_21);		\
-	DO_TWIST_0L_1H(Chimu_22,2,2,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_0L_1H(Chimu_30,3,0,F,PERM,  U_11,U_20,U_21);		\
-	DO_TWIST_0L_1H(Chimu_31,3,1,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_0L_1H(Chimu_32,3,2,F,PERM,  U_11,U_20,U_21);		\
-      }else{								\
-	DO_TWIST_1L_0H(Chimu_00,0,0,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_1L_0H(Chimu_01,0,1,F,PERM,  U_11,U_20,U_21);		\
-	DO_TWIST_1L_0H(Chimu_02,0,2,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_1L_0H(Chimu_10,1,0,F,PERM,  U_11,U_20,U_21);		\
-	DO_TWIST_1L_0H(Chimu_11,1,1,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_1L_0H(Chimu_12,1,2,F,PERM,  U_11,U_20,U_21);		\
-	DO_TWIST_1L_0H(Chimu_20,2,0,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_1L_0H(Chimu_21,2,1,F,PERM,  U_11,U_20,U_21);		\
-	DO_TWIST_1L_0H(Chimu_22,2,2,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_1L_0H(Chimu_30,3,0,F,PERM,  U_11,U_20,U_21);		\
-	DO_TWIST_1L_0H(Chimu_31,3,1,F,PERM,  U_00,U_01,U_10);		\
-	DO_TWIST_1L_0H(Chimu_32,3,2,F,PERM,  U_11,U_20,U_21);		\
-      } \
-    } \
-  }
-
-
-#define LOAD_CHI_GPARITY_INPLACE_TWIST(DIR,F,PERM)				\
-  { const SiteHalfSpinor &ref(buf[offset]);				\
-    LOAD_CHI_SETUP(DIR,F);						\
-    if(!inplace_twist){							\
-      LOAD_CHI_BODY(g);							\
-    }else{								\
-      if(  ( F==0 && ((distance == 1 && !perm) || (distance == -1 && perm)) ) || \
-	   ( F==1 && ((distance == -1 && !perm) || (distance == 1 && perm)) ) ){ \
-	DO_TWIST_0L_1H(Chi_00,0,0,F,PERM,  U_00,U_01,U_10);			\
-	DO_TWIST_0L_1H(Chi_01,0,1,F,PERM,  U_11,U_20,U_21);			\
-	DO_TWIST_0L_1H(Chi_02,0,2,F,PERM,  UChi_00,UChi_01,UChi_02);		\
-	DO_TWIST_0L_1H(Chi_10,1,0,F,PERM,  UChi_10,UChi_11,UChi_12);		\
-	DO_TWIST_0L_1H(Chi_11,1,1,F,PERM,  U_00,U_01,U_10);			\
-	DO_TWIST_0L_1H(Chi_12,1,2,F,PERM,  U_11,U_20,U_21);			\
-      }else{								\
-	DO_TWIST_1L_0H(Chi_00,0,0,F,PERM,  U_00,U_01,U_10);			\
-	DO_TWIST_1L_0H(Chi_01,0,1,F,PERM,  U_11,U_20,U_21);			\
-	DO_TWIST_1L_0H(Chi_02,0,2,F,PERM,  UChi_00,UChi_01,UChi_02);		\
-	DO_TWIST_1L_0H(Chi_10,1,0,F,PERM,  UChi_10,UChi_11,UChi_12);		\
-	DO_TWIST_1L_0H(Chi_11,1,1,F,PERM,  U_00,U_01,U_10);			\
-	DO_TWIST_1L_0H(Chi_12,1,2,F,PERM,  U_11,U_20,U_21);			\
-      }									\
-    }									\
-  }
-
-
-#define LOAD_CHI_GPARITY(DIR,F,PERM) LOAD_CHI_GPARITY_INPLACE_TWIST(DIR,F,PERM)
-#define LOAD_CHIMU_GPARITY(DIR,F,PERM) LOAD_CHIMU_GPARITY_INPLACE_TWIST(DIR,F,PERM)
+#define LOAD_CHI\
+  {const SiteHalfSpinor &ref(buf[offset]);	\
+    Chi_00 = ref()(0)(0);\
+    Chi_01 = ref()(0)(1);\
+    Chi_02 = ref()(0)(2);\
+    Chi_10 = ref()(1)(0);\
+    Chi_11 = ref()(1)(1);\
+    Chi_12 = ref()(1)(2);}
 
 // To splat or not to splat depends on the implementation
-#define MULT_2SPIN_BODY \
-  Impl::loadLinkElement(U_00,ref()(0,0));	\
-  Impl::loadLinkElement(U_10,ref()(1,0));	\
-  Impl::loadLinkElement(U_20,ref()(2,0));	\
-  Impl::loadLinkElement(U_01,ref()(0,1));	\
-  Impl::loadLinkElement(U_11,ref()(1,1));	\
-  Impl::loadLinkElement(U_21,ref()(2,1));	\
-  UChi_00 = U_00*Chi_00;			\
-  UChi_10 = U_00*Chi_10;			\
-  UChi_01 = U_10*Chi_00;			\
-  UChi_11 = U_10*Chi_10;			\
-  UChi_02 = U_20*Chi_00;			\
-  UChi_12 = U_20*Chi_10;			\
-  UChi_00+= U_01*Chi_01;			\
-  UChi_10+= U_01*Chi_11;			\
-  UChi_01+= U_11*Chi_01;			\
-  UChi_11+= U_11*Chi_11;			\
-  UChi_02+= U_21*Chi_01;			\
-  UChi_12+= U_21*Chi_11;			\
-  Impl::loadLinkElement(U_00,ref()(0,2));	\
-  Impl::loadLinkElement(U_10,ref()(1,2));	\
-  Impl::loadLinkElement(U_20,ref()(2,2));	\
-  UChi_00+= U_00*Chi_02;			\
-  UChi_10+= U_00*Chi_12;			\
-  UChi_01+= U_10*Chi_02;			\
-  UChi_11+= U_10*Chi_12;			\
-  UChi_02+= U_20*Chi_02;			\
-  UChi_12+= U_20*Chi_12
-
-
-#define MULT_2SPIN(A,F)					\
-  {auto & ref(U._odata[sU](A)); MULT_2SPIN_BODY; }
-
-#define MULT_2SPIN_GPARITY(A,F)				\
-  {auto & ref(U._odata[sU](F)(A)); MULT_2SPIN_BODY; }
+#define MULT_2SPIN(A)\
+  {auto & ref(U._odata[sU](A));			\
+   Impl::loadLinkElement(U_00,ref()(0,0));	\
+   Impl::loadLinkElement(U_10,ref()(1,0));	\
+   Impl::loadLinkElement(U_20,ref()(2,0));	\
+   Impl::loadLinkElement(U_01,ref()(0,1));	\
+   Impl::loadLinkElement(U_11,ref()(1,1));	\
+   Impl::loadLinkElement(U_21,ref()(2,1));	\
+    UChi_00 = U_00*Chi_00;\
+    UChi_10 = U_00*Chi_10;\
+    UChi_01 = U_10*Chi_00;\
+    UChi_11 = U_10*Chi_10;\
+    UChi_02 = U_20*Chi_00;\
+    UChi_12 = U_20*Chi_10;\
+    UChi_00+= U_01*Chi_01;\
+    UChi_10+= U_01*Chi_11;\
+    UChi_01+= U_11*Chi_01;\
+    UChi_11+= U_11*Chi_11;\
+    UChi_02+= U_21*Chi_01;\
+    UChi_12+= U_21*Chi_11;\
+    Impl::loadLinkElement(U_00,ref()(0,2));	\
+    Impl::loadLinkElement(U_10,ref()(1,2));	\
+    Impl::loadLinkElement(U_20,ref()(2,2));	\
+    UChi_00+= U_00*Chi_02;\
+    UChi_10+= U_00*Chi_12;\
+    UChi_01+= U_10*Chi_02;\
+    UChi_11+= U_10*Chi_12;\
+    UChi_02+= U_20*Chi_02;\
+    UChi_12+= U_20*Chi_12;}
 
 
 #define PERMUTE_DIR(dir)			\
@@ -428,87 +307,84 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
   result_31-= UChi_11;	\
   result_32-= UChi_12;
 
-#define HAND_STENCIL_LEG(PROJ,PERM,DIR,RECON,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
+#define HAND_STENCIL_LEG(PROJ,PERM,DIR,RECON)	\
   SE=st.GetEntry(ptype,DIR,ss);			\
   offset = SE->_offset;				\
   local  = SE->_is_local;			\
   perm   = SE->_permute;			\
   if ( local ) {				\
-    LOAD_CHIMU_IMPL(DIR,F,PERM);			\
+    LOAD_CHIMU;					\
     PROJ;					\
     if ( perm) {				\
       PERMUTE_DIR(PERM);			\
     }						\
   } else {					\
-    LOAD_CHI_IMPL(DIR,F,PERM);			\
+    LOAD_CHI;					\
   }						\
-  MULT_2SPIN_IMPL(DIR,F);			\
+  MULT_2SPIN(DIR);				\
   RECON;					
 
-
-#define HAND_STENCIL_LEG_INT(PROJ,PERM,DIR,RECON,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL)	\
+#define HAND_STENCIL_LEG_INT(PROJ,PERM,DIR,RECON)	\
   SE=st.GetEntry(ptype,DIR,ss);			\
   offset = SE->_offset;				\
   local  = SE->_is_local;			\
   perm   = SE->_permute;			\
   if ( local ) {				\
-    LOAD_CHIMU_IMPL(DIR,F,PERM);			\
+    LOAD_CHIMU;					\
     PROJ;					\
     if ( perm) {				\
       PERMUTE_DIR(PERM);			\
     }						\
   } else if ( st.same_node[DIR] ) {		\
-    LOAD_CHI_IMPL(DIR,F,PERM);			\
+    LOAD_CHI;					\
   }						\
   if (local || st.same_node[DIR] ) {		\
-    MULT_2SPIN_IMPL(DIR,F);			\
+    MULT_2SPIN(DIR);				\
     RECON;					\
   }
 
-#define HAND_STENCIL_LEG_EXT(PROJ,PERM,DIR,RECON,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL)	\
+#define HAND_STENCIL_LEG_EXT(PROJ,PERM,DIR,RECON)	\
   SE=st.GetEntry(ptype,DIR,ss);			\
   offset = SE->_offset;				\
-  local  = SE->_is_local;			\
-  perm   = SE->_permute;			\
   if((!SE->_is_local)&&(!st.same_node[DIR]) ) {	\
-    LOAD_CHI_IMPL(DIR,F,PERM);			\
-    MULT_2SPIN_IMPL(DIR,F);			\
+    LOAD_CHI;					\
+    MULT_2SPIN(DIR);				\
     RECON;					\
     nmu++;					\
   }
 
-#define HAND_RESULT(ss,F)			\
+#define HAND_RESULT(ss)				\
   {						\
     SiteSpinor & ref (out._odata[ss]);		\
-    vstream(ref(F)(0)(0),result_00);		\
-    vstream(ref(F)(0)(1),result_01);		\
-    vstream(ref(F)(0)(2),result_02);		\
-    vstream(ref(F)(1)(0),result_10);		\
-    vstream(ref(F)(1)(1),result_11);		\
-    vstream(ref(F)(1)(2),result_12);		\
-    vstream(ref(F)(2)(0),result_20);		\
-    vstream(ref(F)(2)(1),result_21);		\
-    vstream(ref(F)(2)(2),result_22);		\
-    vstream(ref(F)(3)(0),result_30);		\
-    vstream(ref(F)(3)(1),result_31);		\
-    vstream(ref(F)(3)(2),result_32);		\
+    vstream(ref()(0)(0),result_00);		\
+    vstream(ref()(0)(1),result_01);		\
+    vstream(ref()(0)(2),result_02);		\
+    vstream(ref()(1)(0),result_10);		\
+    vstream(ref()(1)(1),result_11);		\
+    vstream(ref()(1)(2),result_12);		\
+    vstream(ref()(2)(0),result_20);		\
+    vstream(ref()(2)(1),result_21);		\
+    vstream(ref()(2)(2),result_22);		\
+    vstream(ref()(3)(0),result_30);		\
+    vstream(ref()(3)(1),result_31);		\
+    vstream(ref()(3)(2),result_32);		\
   }
 
-#define HAND_RESULT_EXT(ss,F)			\
+#define HAND_RESULT_EXT(ss)			\
   if (nmu){					\
     SiteSpinor & ref (out._odata[ss]);		\
-    ref(F)(0)(0)+=result_00;		\
-    ref(F)(0)(1)+=result_01;		\
-    ref(F)(0)(2)+=result_02;		\
-    ref(F)(1)(0)+=result_10;		\
-    ref(F)(1)(1)+=result_11;		\
-    ref(F)(1)(2)+=result_12;		\
-    ref(F)(2)(0)+=result_20;		\
-    ref(F)(2)(1)+=result_21;		\
-    ref(F)(2)(2)+=result_22;		\
-    ref(F)(3)(0)+=result_30;		\
-    ref(F)(3)(1)+=result_31;		\
-    ref(F)(3)(2)+=result_32;		\
+    ref()(0)(0)+=result_00;		\
+    ref()(0)(1)+=result_01;		\
+    ref()(0)(2)+=result_02;		\
+    ref()(1)(0)+=result_10;		\
+    ref()(1)(1)+=result_11;		\
+    ref()(1)(2)+=result_12;		\
+    ref()(2)(0)+=result_20;		\
+    ref()(2)(1)+=result_21;		\
+    ref()(2)(2)+=result_22;		\
+    ref()(3)(0)+=result_30;		\
+    ref()(3)(1)+=result_31;		\
+    ref()(3)(2)+=result_32;		\
   }
 
 
@@ -587,18 +463,15 @@ WilsonKernels<Impl>::HandDhopSite(StencilImpl &st,LebesgueOrder &lo,DoubledGauge
   int offset,local,perm, ptype;
   StencilEntry *SE;
 
-#define HAND_DOP_SITE(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
-  HAND_STENCIL_LEG(XM_PROJ,3,Xp,XM_RECON,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(YM_PROJ,2,Yp,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);	\
-  HAND_STENCIL_LEG(ZM_PROJ,1,Zp,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(TM_PROJ,0,Tp,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(XP_PROJ,3,Xm,XP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(YP_PROJ,2,Ym,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(ZP_PROJ,1,Zm,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(TP_PROJ,0,Tm,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_RESULT(ss,F)
-
-  HAND_DOP_SITE(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+  HAND_STENCIL_LEG(XM_PROJ,3,Xp,XM_RECON);
+  HAND_STENCIL_LEG(YM_PROJ,2,Yp,YM_RECON_ACCUM);
+  HAND_STENCIL_LEG(ZM_PROJ,1,Zp,ZM_RECON_ACCUM);
+  HAND_STENCIL_LEG(TM_PROJ,0,Tp,TM_RECON_ACCUM);
+  HAND_STENCIL_LEG(XP_PROJ,3,Xm,XP_RECON_ACCUM);
+  HAND_STENCIL_LEG(YP_PROJ,2,Ym,YP_RECON_ACCUM);
+  HAND_STENCIL_LEG(ZP_PROJ,1,Zm,ZP_RECON_ACCUM);
+  HAND_STENCIL_LEG(TP_PROJ,0,Tm,TP_RECON_ACCUM);
+  HAND_RESULT(ss);
 }
 
 template<class Impl>
@@ -612,19 +485,16 @@ void WilsonKernels<Impl>::HandDhopSiteDag(StencilImpl &st,LebesgueOrder &lo,Doub
 
   StencilEntry *SE;
   int offset,local,perm, ptype;
-
-#define HAND_DOP_SITE_DAG(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
-  HAND_STENCIL_LEG(XP_PROJ,3,Xp,XP_RECON,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(YP_PROJ,2,Yp,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(ZP_PROJ,1,Zp,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(TP_PROJ,0,Tp,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(XM_PROJ,3,Xm,XM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(YM_PROJ,2,Ym,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(ZM_PROJ,1,Zm,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG(TM_PROJ,0,Tm,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_RESULT(ss,F)
-
-  HAND_DOP_SITE_DAG(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+  
+  HAND_STENCIL_LEG(XP_PROJ,3,Xp,XP_RECON);
+  HAND_STENCIL_LEG(YP_PROJ,2,Yp,YP_RECON_ACCUM);
+  HAND_STENCIL_LEG(ZP_PROJ,1,Zp,ZP_RECON_ACCUM);
+  HAND_STENCIL_LEG(TP_PROJ,0,Tp,TP_RECON_ACCUM);
+  HAND_STENCIL_LEG(XM_PROJ,3,Xm,XM_RECON_ACCUM);
+  HAND_STENCIL_LEG(YM_PROJ,2,Ym,YM_RECON_ACCUM);
+  HAND_STENCIL_LEG(ZM_PROJ,1,Zm,ZM_RECON_ACCUM);
+  HAND_STENCIL_LEG(TM_PROJ,0,Tm,TM_RECON_ACCUM);
+  HAND_RESULT(ss);
 }
 
 template<class Impl> void 
@@ -639,20 +509,16 @@ WilsonKernels<Impl>::HandDhopSiteInt(StencilImpl &st,LebesgueOrder &lo,DoubledGa
 
   int offset,local,perm, ptype;
   StencilEntry *SE;
-
-#define HAND_DOP_SITE_INT(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
-  ZERO_RESULT; \
-  HAND_STENCIL_LEG_INT(XM_PROJ,3,Xp,XM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_INT(YM_PROJ,2,Yp,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_INT(ZM_PROJ,1,Zp,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_INT(TM_PROJ,0,Tp,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_INT(XP_PROJ,3,Xm,XP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_INT(YP_PROJ,2,Ym,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_INT(ZP_PROJ,1,Zm,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_INT(TP_PROJ,0,Tm,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_RESULT(ss,F)
-
-  HAND_DOP_SITE_INT(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+  ZERO_RESULT;
+  HAND_STENCIL_LEG_INT(XM_PROJ,3,Xp,XM_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(YM_PROJ,2,Yp,YM_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(ZM_PROJ,1,Zp,ZM_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(TM_PROJ,0,Tp,TM_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(XP_PROJ,3,Xm,XP_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(YP_PROJ,2,Ym,YP_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(ZP_PROJ,1,Zm,ZP_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(TP_PROJ,0,Tm,TP_RECON_ACCUM);
+  HAND_RESULT(ss);
 }
 
 template<class Impl>
@@ -666,20 +532,16 @@ void WilsonKernels<Impl>::HandDhopSiteDagInt(StencilImpl &st,LebesgueOrder &lo,D
 
   StencilEntry *SE;
   int offset,local,perm, ptype;
-
-#define HAND_DOP_SITE_DAG_INT(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL)				\
-  ZERO_RESULT;							\
-  HAND_STENCIL_LEG_INT(XP_PROJ,3,Xp,XP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
-  HAND_STENCIL_LEG_INT(YP_PROJ,2,Yp,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
-  HAND_STENCIL_LEG_INT(ZP_PROJ,1,Zp,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
-  HAND_STENCIL_LEG_INT(TP_PROJ,0,Tp,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
-  HAND_STENCIL_LEG_INT(XM_PROJ,3,Xm,XM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
-  HAND_STENCIL_LEG_INT(YM_PROJ,2,Ym,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
-  HAND_STENCIL_LEG_INT(ZM_PROJ,1,Zm,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
-  HAND_STENCIL_LEG_INT(TM_PROJ,0,Tm,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
-  HAND_RESULT(ss,F)
-  
-  HAND_DOP_SITE_DAG_INT(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+  ZERO_RESULT;
+  HAND_STENCIL_LEG_INT(XP_PROJ,3,Xp,XP_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(YP_PROJ,2,Yp,YP_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(ZP_PROJ,1,Zp,ZP_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(TP_PROJ,0,Tp,TP_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(XM_PROJ,3,Xm,XM_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(YM_PROJ,2,Ym,YM_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(ZM_PROJ,1,Zm,ZM_RECON_ACCUM);
+  HAND_STENCIL_LEG_INT(TM_PROJ,0,Tm,TM_RECON_ACCUM);
+  HAND_RESULT(ss);
 }
 
 template<class Impl> void 
@@ -695,20 +557,16 @@ WilsonKernels<Impl>::HandDhopSiteExt(StencilImpl &st,LebesgueOrder &lo,DoubledGa
   int offset,local,perm, ptype;
   StencilEntry *SE;
   int nmu=0;
-
-#define HAND_DOP_SITE_EXT(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
-  ZERO_RESULT; \
-  HAND_STENCIL_LEG_EXT(XM_PROJ,3,Xp,XM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(YM_PROJ,2,Yp,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(ZM_PROJ,1,Zp,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(TM_PROJ,0,Tp,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(XP_PROJ,3,Xm,XP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(YP_PROJ,2,Ym,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(ZP_PROJ,1,Zm,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(TP_PROJ,0,Tm,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_RESULT_EXT(ss,F)
-
-  HAND_DOP_SITE_EXT(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+  ZERO_RESULT;
+  HAND_STENCIL_LEG_EXT(XM_PROJ,3,Xp,XM_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(YM_PROJ,2,Yp,YM_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(ZM_PROJ,1,Zp,ZM_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(TM_PROJ,0,Tp,TM_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(XP_PROJ,3,Xm,XP_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(YP_PROJ,2,Ym,YP_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(ZP_PROJ,1,Zm,ZP_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(TP_PROJ,0,Tm,TP_RECON_ACCUM);
+  HAND_RESULT_EXT(ss);
 }
 
 template<class Impl>
@@ -723,193 +581,18 @@ void WilsonKernels<Impl>::HandDhopSiteDagExt(StencilImpl &st,LebesgueOrder &lo,D
   StencilEntry *SE;
   int offset,local,perm, ptype;
   int nmu=0;
-
-#define HAND_DOP_SITE_DAG_EXT(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
-  ZERO_RESULT; \
-  HAND_STENCIL_LEG_EXT(XP_PROJ,3,Xp,XP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(YP_PROJ,2,Yp,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(ZP_PROJ,1,Zp,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(TP_PROJ,0,Tp,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(XM_PROJ,3,Xm,XM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(YM_PROJ,2,Ym,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(ZM_PROJ,1,Zm,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_STENCIL_LEG_EXT(TM_PROJ,0,Tm,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
-  HAND_RESULT_EXT(ss,F)
-
-  HAND_DOP_SITE_DAG_EXT(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+  ZERO_RESULT;
+  HAND_STENCIL_LEG_EXT(XP_PROJ,3,Xp,XP_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(YP_PROJ,2,Yp,YP_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(ZP_PROJ,1,Zp,ZP_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(TP_PROJ,0,Tp,TP_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(XM_PROJ,3,Xm,XM_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(YM_PROJ,2,Ym,YM_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(ZM_PROJ,1,Zm,ZM_RECON_ACCUM);
+  HAND_STENCIL_LEG_EXT(TM_PROJ,0,Tm,TM_RECON_ACCUM);
+  HAND_RESULT_EXT(ss);
 }
 
-  ////////////////////////////////////////////////
-  // Specialise Gparity to simple implementation
-  ////////////////////////////////////////////////
-#define HAND_SPECIALISE_EMPTY(IMPL)					\
-  template<> void							\
-  WilsonKernels<IMPL>::HandDhopSite(StencilImpl &st,			\
-				    LebesgueOrder &lo,			\
-				    DoubledGaugeField &U,		\
-				    SiteHalfSpinor *buf,		\
-				    int sF,int sU,			\
-				    const FermionField &in,		\
-				    FermionField &out){ assert(0); }	\
-  template<> void							\
-  WilsonKernels<IMPL>::HandDhopSiteDag(StencilImpl &st,			\
-				    LebesgueOrder &lo,			\
-				    DoubledGaugeField &U,		\
-				    SiteHalfSpinor *buf,		\
-				    int sF,int sU,			\
-				    const FermionField &in,		\
-				    FermionField &out){ assert(0); }	\
-  template<> void							\
-  WilsonKernels<IMPL>::HandDhopSiteInt(StencilImpl &st,			\
-				    LebesgueOrder &lo,			\
-				    DoubledGaugeField &U,		\
-				    SiteHalfSpinor *buf,		\
-				    int sF,int sU,			\
-				    const FermionField &in,		\
-				    FermionField &out){ assert(0); }	\
-  template<> void							\
-  WilsonKernels<IMPL>::HandDhopSiteExt(StencilImpl &st,			\
-				    LebesgueOrder &lo,			\
-				    DoubledGaugeField &U,		\
-				    SiteHalfSpinor *buf,		\
-				    int sF,int sU,			\
-				    const FermionField &in,		\
-				    FermionField &out){ assert(0); }	\
-  template<> void							\
-  WilsonKernels<IMPL>::HandDhopSiteDagInt(StencilImpl &st,	       	\
-				    LebesgueOrder &lo,			\
-				    DoubledGaugeField &U,		\
-				    SiteHalfSpinor *buf,		\
-				    int sF,int sU,			\
-				    const FermionField &in,		\
-				    FermionField &out){ assert(0); }	\
-  template<> void							\
-  WilsonKernels<IMPL>::HandDhopSiteDagExt(StencilImpl &st,	       	\
-				    LebesgueOrder &lo,			\
-				    DoubledGaugeField &U,		\
-				    SiteHalfSpinor *buf,		\
-				    int sF,int sU,			\
-				    const FermionField &in,		\
-				    FermionField &out){ assert(0); }	\
-
-
-
-#define HAND_SPECIALISE_GPARITY(IMPL)					\
-  template<> void							\
-  WilsonKernels<IMPL>::HandDhopSite(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor  *buf, \
-				    int ss,int sU,const FermionField &in, FermionField &out) \
-  {									\
-    typedef IMPL Impl;							\
-    typedef typename Simd::scalar_type S;				\
-    typedef typename Simd::vector_type V;				\
-									\
-    HAND_DECLARATIONS(ignore);						\
-									\
-    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist; \
-    StencilEntry *SE;							\
-    HAND_DOP_SITE(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-    HAND_DOP_SITE(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-  }									\
-									\
-  template<>								\
-  void WilsonKernels<IMPL>::HandDhopSiteDag(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf, \
-					    int ss,int sU,const FermionField &in, FermionField &out) \
-  {									\
-    typedef IMPL Impl;							\
-    typedef typename Simd::scalar_type S;				\
-    typedef typename Simd::vector_type V;				\
-									\
-    HAND_DECLARATIONS(ignore);						\
-									\
-    StencilEntry *SE;							\
-    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist;					\
-    HAND_DOP_SITE_DAG(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-    HAND_DOP_SITE_DAG(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-  }									\
-									\
-  template<> void							\
-  WilsonKernels<IMPL>::HandDhopSiteInt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor  *buf, \
-						     int ss,int sU,const FermionField &in, FermionField &out) \
-  {									\
-    typedef IMPL Impl;							\
-    typedef typename Simd::scalar_type S;				\
-    typedef typename Simd::vector_type V;				\
-									\
-    HAND_DECLARATIONS(ignore);						\
-									\
-    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist;					\
-    StencilEntry *SE;							\
-    HAND_DOP_SITE_INT(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-    HAND_DOP_SITE_INT(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-  }									\
-									\
-  template<>								\
-  void WilsonKernels<IMPL>::HandDhopSiteDagInt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf, \
-							     int ss,int sU,const FermionField &in, FermionField &out) \
-  {									\
-    typedef IMPL Impl;							\
-    typedef typename Simd::scalar_type S;				\
-    typedef typename Simd::vector_type V;				\
-									\
-    HAND_DECLARATIONS(ignore);						\
-									\
-    StencilEntry *SE;							\
-    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist; \
-    HAND_DOP_SITE_DAG_INT(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-    HAND_DOP_SITE_DAG_INT(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-  }									\
-									\
-  template<> void							\
-  WilsonKernels<IMPL>::HandDhopSiteExt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor  *buf, \
-						     int ss,int sU,const FermionField &in, FermionField &out) \
-  {									\
-    typedef IMPL Impl;							\
-    typedef typename Simd::scalar_type S;				\
-    typedef typename Simd::vector_type V;				\
-									\
-    HAND_DECLARATIONS(ignore);						\
-									\
-    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist; \
-    StencilEntry *SE;							\
-    int nmu=0;								\
-    HAND_DOP_SITE_EXT(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-    nmu = 0;								\
-    HAND_DOP_SITE_EXT(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-  }									\
-  template<>								\
-  void WilsonKernels<IMPL>::HandDhopSiteDagExt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf, \
-							     int ss,int sU,const FermionField &in, FermionField &out) \
-  {									\
-    typedef IMPL Impl;							\
-    typedef typename Simd::scalar_type S;				\
-    typedef typename Simd::vector_type V;				\
-									\
-    HAND_DECLARATIONS(ignore);						\
-									\
-    StencilEntry *SE;							\
-    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist; \
-    int nmu=0;								\
-    HAND_DOP_SITE_DAG_EXT(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-    nmu = 0;								\
-    HAND_DOP_SITE_DAG_EXT(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
-  }
-
-
-HAND_SPECIALISE_GPARITY(GparityWilsonImplF);
-HAND_SPECIALISE_GPARITY(GparityWilsonImplD);
-HAND_SPECIALISE_GPARITY(GparityWilsonImplFH);
-HAND_SPECIALISE_GPARITY(GparityWilsonImplDF);
-
-
-
-
-
-
-
-
-
-
-  
 ////////////// Wilson ; uses this implementation /////////////////////
 
 #define INSTANTIATE_THEM(A) \
@@ -930,8 +613,6 @@ INSTANTIATE_THEM(WilsonImplF);
 INSTANTIATE_THEM(WilsonImplD);
 INSTANTIATE_THEM(ZWilsonImplF);
 INSTANTIATE_THEM(ZWilsonImplD);
-INSTANTIATE_THEM(GparityWilsonImplF);
-INSTANTIATE_THEM(GparityWilsonImplD);
 INSTANTIATE_THEM(DomainWallVec5dImplF);
 INSTANTIATE_THEM(DomainWallVec5dImplD);
 INSTANTIATE_THEM(ZDomainWallVec5dImplF);
@@ -940,12 +621,11 @@ INSTANTIATE_THEM(WilsonImplFH);
 INSTANTIATE_THEM(WilsonImplDF);
 INSTANTIATE_THEM(ZWilsonImplFH);
 INSTANTIATE_THEM(ZWilsonImplDF);
-INSTANTIATE_THEM(GparityWilsonImplFH);
-INSTANTIATE_THEM(GparityWilsonImplDF);
 INSTANTIATE_THEM(DomainWallVec5dImplFH);
 INSTANTIATE_THEM(DomainWallVec5dImplDF);
 INSTANTIATE_THEM(ZDomainWallVec5dImplFH);
 INSTANTIATE_THEM(ZDomainWallVec5dImplDF);
 INSTANTIATE_THEM(WilsonTwoIndexAntiSymmetricImplF);
 INSTANTIATE_THEM(WilsonTwoIndexAntiSymmetricImplD);
+
 }}

lib/qcd/action/fermion/WilsonKernelsHandGparity.cc

@@ -0,0 +1,878 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/fermion/WilsonKernelsHand.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/qcd/action/fermion/FermionCore.h>
+
+#define REGISTER
+
+#define LOAD_CHIMU_BODY(F)			\
+  Chimu_00=ref(F)(0)(0);			\
+  Chimu_01=ref(F)(0)(1);			\
+  Chimu_02=ref(F)(0)(2);			\
+  Chimu_10=ref(F)(1)(0);			\
+  Chimu_11=ref(F)(1)(1);			\
+  Chimu_12=ref(F)(1)(2);			\
+  Chimu_20=ref(F)(2)(0);			\
+  Chimu_21=ref(F)(2)(1);			\
+  Chimu_22=ref(F)(2)(2);			\
+  Chimu_30=ref(F)(3)(0);			\
+  Chimu_31=ref(F)(3)(1);			\
+  Chimu_32=ref(F)(3)(2)
+
+#define LOAD_CHIMU(DIR,F,PERM)						\
+  { const SiteSpinor & ref (in._odata[offset]); LOAD_CHIMU_BODY(F); }
+
+#define LOAD_CHI_BODY(F)				\
+    Chi_00 = ref(F)(0)(0);\
+    Chi_01 = ref(F)(0)(1);\
+    Chi_02 = ref(F)(0)(2);\
+    Chi_10 = ref(F)(1)(0);\
+    Chi_11 = ref(F)(1)(1);\
+    Chi_12 = ref(F)(1)(2)
+
+#define LOAD_CHI(DIR,F,PERM)					\
+  {const SiteHalfSpinor &ref(buf[offset]); LOAD_CHI_BODY(F); }
+
+
+//G-parity implementations using in-place intrinsic ops
+
+//1l 1h -> 1h 1l
+//0l 0h , 1h 1l -> 0l 1h 0h,1l
+//0h,1l -> 1l,0h
+//if( (distance == 1 && !perm_will_occur) || (distance == -1 && perm_will_occur) )
+//Pulled fermion through forwards face, GPBC on upper component
+//Need 0= 0l 1h   1= 1l 0h
+//else if( (distance == -1 && !perm) || (distance == 1 && perm) )
+//Pulled fermion through backwards face, GPBC on lower component
+//Need 0= 1l 0h   1= 0l 1h
+
+//1l 1h -> 1h 1l
+//0l 0h , 1h 1l -> 0l 1h 0h,1l
+#define DO_TWIST_0L_1H(INTO,S,C,F, PERM, tmp1, tmp2, tmp3)			\
+  permute##PERM(tmp1, ref(1)(S)(C));				\
+  exchange##PERM(tmp2,tmp3, ref(0)(S)(C), tmp1);		\
+  INTO = tmp2;
+
+//0l 0h -> 0h 0l
+//1l 1h, 0h 0l -> 1l 0h, 1h 0l
+#define DO_TWIST_1L_0H(INTO,S,C,F, PERM, tmp1, tmp2, tmp3)			\
+  permute##PERM(tmp1, ref(0)(S)(C));				\
+  exchange##PERM(tmp2,tmp3, ref(1)(S)(C), tmp1);		\
+  INTO = tmp2;
+
+
+
+
+#define LOAD_CHI_SETUP(DIR,F)						\
+  g = F;								\
+  direction = st._directions[DIR];				\
+  distance = st._distances[DIR];				\
+  sl = st._grid->_simd_layout[direction];			\
+  inplace_twist = 0;						\
+  if(SE->_around_the_world && this->Params.twists[DIR % 4]){		\
+    if(sl == 1){							\
+      g = (F+1) % 2;							\
+    }else{								\
+      inplace_twist = 1;						\
+    }									\
+  }  
+
+#define LOAD_CHIMU_GPARITY_INPLACE_TWIST(DIR,F,PERM)			\
+  { const SiteSpinor &ref(in._odata[offset]);				\
+    LOAD_CHI_SETUP(DIR,F);						\
+    if(!inplace_twist){							\
+      LOAD_CHIMU_BODY(g);						\
+    }else{								\
+      if(  ( F==0 && ((distance == 1 && !perm) || (distance == -1 && perm)) ) || \
+	   ( F==1 && ((distance == -1 && !perm) || (distance == 1 && perm)) ) ){ \
+	DO_TWIST_0L_1H(Chimu_00,0,0,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_0L_1H(Chimu_01,0,1,F,PERM,  U_11,U_20,U_21);		\
+	DO_TWIST_0L_1H(Chimu_02,0,2,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_0L_1H(Chimu_10,1,0,F,PERM,  U_11,U_20,U_21);		\
+	DO_TWIST_0L_1H(Chimu_11,1,1,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_0L_1H(Chimu_12,1,2,F,PERM,  U_11,U_20,U_21);		\
+	DO_TWIST_0L_1H(Chimu_20,2,0,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_0L_1H(Chimu_21,2,1,F,PERM,  U_11,U_20,U_21);		\
+	DO_TWIST_0L_1H(Chimu_22,2,2,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_0L_1H(Chimu_30,3,0,F,PERM,  U_11,U_20,U_21);		\
+	DO_TWIST_0L_1H(Chimu_31,3,1,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_0L_1H(Chimu_32,3,2,F,PERM,  U_11,U_20,U_21);		\
+      }else{								\
+	DO_TWIST_1L_0H(Chimu_00,0,0,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_1L_0H(Chimu_01,0,1,F,PERM,  U_11,U_20,U_21);		\
+	DO_TWIST_1L_0H(Chimu_02,0,2,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_1L_0H(Chimu_10,1,0,F,PERM,  U_11,U_20,U_21);		\
+	DO_TWIST_1L_0H(Chimu_11,1,1,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_1L_0H(Chimu_12,1,2,F,PERM,  U_11,U_20,U_21);		\
+	DO_TWIST_1L_0H(Chimu_20,2,0,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_1L_0H(Chimu_21,2,1,F,PERM,  U_11,U_20,U_21);		\
+	DO_TWIST_1L_0H(Chimu_22,2,2,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_1L_0H(Chimu_30,3,0,F,PERM,  U_11,U_20,U_21);		\
+	DO_TWIST_1L_0H(Chimu_31,3,1,F,PERM,  U_00,U_01,U_10);		\
+	DO_TWIST_1L_0H(Chimu_32,3,2,F,PERM,  U_11,U_20,U_21);		\
+      } \
+    } \
+  }
+
+
+#define LOAD_CHI_GPARITY_INPLACE_TWIST(DIR,F,PERM)				\
+  { const SiteHalfSpinor &ref(buf[offset]);				\
+    LOAD_CHI_SETUP(DIR,F);						\
+    if(!inplace_twist){							\
+      LOAD_CHI_BODY(g);							\
+    }else{								\
+      if(  ( F==0 && ((distance == 1 && !perm) || (distance == -1 && perm)) ) || \
+	   ( F==1 && ((distance == -1 && !perm) || (distance == 1 && perm)) ) ){ \
+	DO_TWIST_0L_1H(Chi_00,0,0,F,PERM,  U_00,U_01,U_10);			\
+	DO_TWIST_0L_1H(Chi_01,0,1,F,PERM,  U_11,U_20,U_21);			\
+	DO_TWIST_0L_1H(Chi_02,0,2,F,PERM,  UChi_00,UChi_01,UChi_02);		\
+	DO_TWIST_0L_1H(Chi_10,1,0,F,PERM,  UChi_10,UChi_11,UChi_12);		\
+	DO_TWIST_0L_1H(Chi_11,1,1,F,PERM,  U_00,U_01,U_10);			\
+	DO_TWIST_0L_1H(Chi_12,1,2,F,PERM,  U_11,U_20,U_21);			\
+      }else{								\
+	DO_TWIST_1L_0H(Chi_00,0,0,F,PERM,  U_00,U_01,U_10);			\
+	DO_TWIST_1L_0H(Chi_01,0,1,F,PERM,  U_11,U_20,U_21);			\
+	DO_TWIST_1L_0H(Chi_02,0,2,F,PERM,  UChi_00,UChi_01,UChi_02);		\
+	DO_TWIST_1L_0H(Chi_10,1,0,F,PERM,  UChi_10,UChi_11,UChi_12);		\
+	DO_TWIST_1L_0H(Chi_11,1,1,F,PERM,  U_00,U_01,U_10);			\
+	DO_TWIST_1L_0H(Chi_12,1,2,F,PERM,  U_11,U_20,U_21);			\
+      }									\
+    }									\
+  }
+
+
+#define LOAD_CHI_GPARITY(DIR,F,PERM) LOAD_CHI_GPARITY_INPLACE_TWIST(DIR,F,PERM)
+#define LOAD_CHIMU_GPARITY(DIR,F,PERM) LOAD_CHIMU_GPARITY_INPLACE_TWIST(DIR,F,PERM)
+
+// To splat or not to splat depends on the implementation
+#define MULT_2SPIN_BODY \
+  Impl::loadLinkElement(U_00,ref()(0,0));	\
+  Impl::loadLinkElement(U_10,ref()(1,0));	\
+  Impl::loadLinkElement(U_20,ref()(2,0));	\
+  Impl::loadLinkElement(U_01,ref()(0,1));	\
+  Impl::loadLinkElement(U_11,ref()(1,1));	\
+  Impl::loadLinkElement(U_21,ref()(2,1));	\
+  UChi_00 = U_00*Chi_00;			\
+  UChi_10 = U_00*Chi_10;			\
+  UChi_01 = U_10*Chi_00;			\
+  UChi_11 = U_10*Chi_10;			\
+  UChi_02 = U_20*Chi_00;			\
+  UChi_12 = U_20*Chi_10;			\
+  UChi_00+= U_01*Chi_01;			\
+  UChi_10+= U_01*Chi_11;			\
+  UChi_01+= U_11*Chi_01;			\
+  UChi_11+= U_11*Chi_11;			\
+  UChi_02+= U_21*Chi_01;			\
+  UChi_12+= U_21*Chi_11;			\
+  Impl::loadLinkElement(U_00,ref()(0,2));	\
+  Impl::loadLinkElement(U_10,ref()(1,2));	\
+  Impl::loadLinkElement(U_20,ref()(2,2));	\
+  UChi_00+= U_00*Chi_02;			\
+  UChi_10+= U_00*Chi_12;			\
+  UChi_01+= U_10*Chi_02;			\
+  UChi_11+= U_10*Chi_12;			\
+  UChi_02+= U_20*Chi_02;			\
+  UChi_12+= U_20*Chi_12
+
+
+#define MULT_2SPIN(A,F)					\
+  {auto & ref(U._odata[sU](A)); MULT_2SPIN_BODY; }
+
+#define MULT_2SPIN_GPARITY(A,F)				\
+  {auto & ref(U._odata[sU](F)(A)); MULT_2SPIN_BODY; }
+
+
+#define PERMUTE_DIR(dir)			\
+      permute##dir(Chi_00,Chi_00);\
+      permute##dir(Chi_01,Chi_01);\
+      permute##dir(Chi_02,Chi_02);\
+      permute##dir(Chi_10,Chi_10);\
+      permute##dir(Chi_11,Chi_11);\
+      permute##dir(Chi_12,Chi_12);
+
+//      hspin(0)=fspin(0)+timesI(fspin(3));
+//      hspin(1)=fspin(1)+timesI(fspin(2));
+#define XP_PROJ \
+    Chi_00 = Chimu_00+timesI(Chimu_30);\
+    Chi_01 = Chimu_01+timesI(Chimu_31);\
+    Chi_02 = Chimu_02+timesI(Chimu_32);\
+    Chi_10 = Chimu_10+timesI(Chimu_20);\
+    Chi_11 = Chimu_11+timesI(Chimu_21);\
+    Chi_12 = Chimu_12+timesI(Chimu_22);
+
+#define YP_PROJ \
+    Chi_00 = Chimu_00-Chimu_30;\
+    Chi_01 = Chimu_01-Chimu_31;\
+    Chi_02 = Chimu_02-Chimu_32;\
+    Chi_10 = Chimu_10+Chimu_20;\
+    Chi_11 = Chimu_11+Chimu_21;\
+    Chi_12 = Chimu_12+Chimu_22;
+
+#define ZP_PROJ \
+  Chi_00 = Chimu_00+timesI(Chimu_20);		\
+  Chi_01 = Chimu_01+timesI(Chimu_21);		\
+  Chi_02 = Chimu_02+timesI(Chimu_22);		\
+  Chi_10 = Chimu_10-timesI(Chimu_30);		\
+  Chi_11 = Chimu_11-timesI(Chimu_31);		\
+  Chi_12 = Chimu_12-timesI(Chimu_32);
+
+#define TP_PROJ \
+  Chi_00 = Chimu_00+Chimu_20;		\
+  Chi_01 = Chimu_01+Chimu_21;		\
+  Chi_02 = Chimu_02+Chimu_22;		\
+  Chi_10 = Chimu_10+Chimu_30;		\
+  Chi_11 = Chimu_11+Chimu_31;		\
+  Chi_12 = Chimu_12+Chimu_32;
+
+
+//      hspin(0)=fspin(0)-timesI(fspin(3));
+//      hspin(1)=fspin(1)-timesI(fspin(2));
+#define XM_PROJ \
+    Chi_00 = Chimu_00-timesI(Chimu_30);\
+    Chi_01 = Chimu_01-timesI(Chimu_31);\
+    Chi_02 = Chimu_02-timesI(Chimu_32);\
+    Chi_10 = Chimu_10-timesI(Chimu_20);\
+    Chi_11 = Chimu_11-timesI(Chimu_21);\
+    Chi_12 = Chimu_12-timesI(Chimu_22);
+
+#define YM_PROJ \
+    Chi_00 = Chimu_00+Chimu_30;\
+    Chi_01 = Chimu_01+Chimu_31;\
+    Chi_02 = Chimu_02+Chimu_32;\
+    Chi_10 = Chimu_10-Chimu_20;\
+    Chi_11 = Chimu_11-Chimu_21;\
+    Chi_12 = Chimu_12-Chimu_22;
+
+#define ZM_PROJ \
+  Chi_00 = Chimu_00-timesI(Chimu_20);		\
+  Chi_01 = Chimu_01-timesI(Chimu_21);		\
+  Chi_02 = Chimu_02-timesI(Chimu_22);		\
+  Chi_10 = Chimu_10+timesI(Chimu_30);		\
+  Chi_11 = Chimu_11+timesI(Chimu_31);		\
+  Chi_12 = Chimu_12+timesI(Chimu_32);
+
+#define TM_PROJ \
+  Chi_00 = Chimu_00-Chimu_20;		\
+  Chi_01 = Chimu_01-Chimu_21;		\
+  Chi_02 = Chimu_02-Chimu_22;		\
+  Chi_10 = Chimu_10-Chimu_30;		\
+  Chi_11 = Chimu_11-Chimu_31;		\
+  Chi_12 = Chimu_12-Chimu_32;
+
+//      fspin(0)=hspin(0);
+//      fspin(1)=hspin(1);
+//      fspin(2)=timesMinusI(hspin(1));
+//      fspin(3)=timesMinusI(hspin(0));
+#define XP_RECON\
+  result_00 = UChi_00;\
+  result_01 = UChi_01;\
+  result_02 = UChi_02;\
+  result_10 = UChi_10;\
+  result_11 = UChi_11;\
+  result_12 = UChi_12;\
+  result_20 = timesMinusI(UChi_10);\
+  result_21 = timesMinusI(UChi_11);\
+  result_22 = timesMinusI(UChi_12);\
+  result_30 = timesMinusI(UChi_00);\
+  result_31 = timesMinusI(UChi_01);\
+  result_32 = timesMinusI(UChi_02);
+
+#define XP_RECON_ACCUM\
+  result_00+=UChi_00;\
+  result_01+=UChi_01;\
+  result_02+=UChi_02;\
+  result_10+=UChi_10;\
+  result_11+=UChi_11;\
+  result_12+=UChi_12;\
+  result_20-=timesI(UChi_10);\
+  result_21-=timesI(UChi_11);\
+  result_22-=timesI(UChi_12);\
+  result_30-=timesI(UChi_00);\
+  result_31-=timesI(UChi_01);\
+  result_32-=timesI(UChi_02);
+
+#define XM_RECON\
+  result_00 = UChi_00;\
+  result_01 = UChi_01;\
+  result_02 = UChi_02;\
+  result_10 = UChi_10;\
+  result_11 = UChi_11;\
+  result_12 = UChi_12;\
+  result_20 = timesI(UChi_10);\
+  result_21 = timesI(UChi_11);\
+  result_22 = timesI(UChi_12);\
+  result_30 = timesI(UChi_00);\
+  result_31 = timesI(UChi_01);\
+  result_32 = timesI(UChi_02);
+
+#define XM_RECON_ACCUM\
+  result_00+= UChi_00;\
+  result_01+= UChi_01;\
+  result_02+= UChi_02;\
+  result_10+= UChi_10;\
+  result_11+= UChi_11;\
+  result_12+= UChi_12;\
+  result_20+= timesI(UChi_10);\
+  result_21+= timesI(UChi_11);\
+  result_22+= timesI(UChi_12);\
+  result_30+= timesI(UChi_00);\
+  result_31+= timesI(UChi_01);\
+  result_32+= timesI(UChi_02);
+
+#define YP_RECON_ACCUM\
+  result_00+= UChi_00;\
+  result_01+= UChi_01;\
+  result_02+= UChi_02;\
+  result_10+= UChi_10;\
+  result_11+= UChi_11;\
+  result_12+= UChi_12;\
+  result_20+= UChi_10;\
+  result_21+= UChi_11;\
+  result_22+= UChi_12;\
+  result_30-= UChi_00;\
+  result_31-= UChi_01;\
+  result_32-= UChi_02;
+
+#define YM_RECON_ACCUM\
+  result_00+= UChi_00;\
+  result_01+= UChi_01;\
+  result_02+= UChi_02;\
+  result_10+= UChi_10;\
+  result_11+= UChi_11;\
+  result_12+= UChi_12;\
+  result_20-= UChi_10;\
+  result_21-= UChi_11;\
+  result_22-= UChi_12;\
+  result_30+= UChi_00;\
+  result_31+= UChi_01;\
+  result_32+= UChi_02;
+
+#define ZP_RECON_ACCUM\
+  result_00+= UChi_00;\
+  result_01+= UChi_01;\
+  result_02+= UChi_02;\
+  result_10+= UChi_10;\
+  result_11+= UChi_11;\
+  result_12+= UChi_12;\
+  result_20-= timesI(UChi_00);			\
+  result_21-= timesI(UChi_01);			\
+  result_22-= timesI(UChi_02);			\
+  result_30+= timesI(UChi_10);			\
+  result_31+= timesI(UChi_11);			\
+  result_32+= timesI(UChi_12);
+
+#define ZM_RECON_ACCUM\
+  result_00+= UChi_00;\
+  result_01+= UChi_01;\
+  result_02+= UChi_02;\
+  result_10+= UChi_10;\
+  result_11+= UChi_11;\
+  result_12+= UChi_12;\
+  result_20+= timesI(UChi_00);			\
+  result_21+= timesI(UChi_01);			\
+  result_22+= timesI(UChi_02);			\
+  result_30-= timesI(UChi_10);			\
+  result_31-= timesI(UChi_11);			\
+  result_32-= timesI(UChi_12);
+
+#define TP_RECON_ACCUM\
+  result_00+= UChi_00;\
+  result_01+= UChi_01;\
+  result_02+= UChi_02;\
+  result_10+= UChi_10;\
+  result_11+= UChi_11;\
+  result_12+= UChi_12;\
+  result_20+= UChi_00;			\
+  result_21+= UChi_01;			\
+  result_22+= UChi_02;			\
+  result_30+= UChi_10;			\
+  result_31+= UChi_11;			\
+  result_32+= UChi_12;
+
+#define TM_RECON_ACCUM\
+  result_00+= UChi_00;\
+  result_01+= UChi_01;\
+  result_02+= UChi_02;\
+  result_10+= UChi_10;\
+  result_11+= UChi_11;\
+  result_12+= UChi_12;\
+  result_20-= UChi_00;	\
+  result_21-= UChi_01;	\
+  result_22-= UChi_02;	\
+  result_30-= UChi_10;	\
+  result_31-= UChi_11;	\
+  result_32-= UChi_12;
+
+#define HAND_STENCIL_LEG(PROJ,PERM,DIR,RECON,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
+  SE=st.GetEntry(ptype,DIR,ss);			\
+  offset = SE->_offset;				\
+  local  = SE->_is_local;			\
+  perm   = SE->_permute;			\
+  if ( local ) {				\
+    LOAD_CHIMU_IMPL(DIR,F,PERM);			\
+    PROJ;					\
+    if ( perm) {				\
+      PERMUTE_DIR(PERM);			\
+    }						\
+  } else {					\
+    LOAD_CHI_IMPL(DIR,F,PERM);			\
+  }						\
+  MULT_2SPIN_IMPL(DIR,F);			\
+  RECON;					
+
+
+#define HAND_STENCIL_LEG_INT(PROJ,PERM,DIR,RECON,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL)	\
+  SE=st.GetEntry(ptype,DIR,ss);			\
+  offset = SE->_offset;				\
+  local  = SE->_is_local;			\
+  perm   = SE->_permute;			\
+  if ( local ) {				\
+    LOAD_CHIMU_IMPL(DIR,F,PERM);			\
+    PROJ;					\
+    if ( perm) {				\
+      PERMUTE_DIR(PERM);			\
+    }						\
+  } else if ( st.same_node[DIR] ) {		\
+    LOAD_CHI_IMPL(DIR,F,PERM);			\
+  }						\
+  if (local || st.same_node[DIR] ) {		\
+    MULT_2SPIN_IMPL(DIR,F);			\
+    RECON;					\
+  }
+
+#define HAND_STENCIL_LEG_EXT(PROJ,PERM,DIR,RECON,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL)	\
+  SE=st.GetEntry(ptype,DIR,ss);			\
+  offset = SE->_offset;				\
+  local  = SE->_is_local;			\
+  perm   = SE->_permute;			\
+  if((!SE->_is_local)&&(!st.same_node[DIR]) ) {	\
+    LOAD_CHI_IMPL(DIR,F,PERM);			\
+    MULT_2SPIN_IMPL(DIR,F);			\
+    RECON;					\
+    nmu++;					\
+  }
+
+#define HAND_RESULT(ss,F)			\
+  {						\
+    SiteSpinor & ref (out._odata[ss]);		\
+    vstream(ref(F)(0)(0),result_00);		\
+    vstream(ref(F)(0)(1),result_01);		\
+    vstream(ref(F)(0)(2),result_02);		\
+    vstream(ref(F)(1)(0),result_10);		\
+    vstream(ref(F)(1)(1),result_11);		\
+    vstream(ref(F)(1)(2),result_12);		\
+    vstream(ref(F)(2)(0),result_20);		\
+    vstream(ref(F)(2)(1),result_21);		\
+    vstream(ref(F)(2)(2),result_22);		\
+    vstream(ref(F)(3)(0),result_30);		\
+    vstream(ref(F)(3)(1),result_31);		\
+    vstream(ref(F)(3)(2),result_32);		\
+  }
+
+#define HAND_RESULT_EXT(ss,F)			\
+  if (nmu){					\
+    SiteSpinor & ref (out._odata[ss]);		\
+    ref(F)(0)(0)+=result_00;		\
+    ref(F)(0)(1)+=result_01;		\
+    ref(F)(0)(2)+=result_02;		\
+    ref(F)(1)(0)+=result_10;		\
+    ref(F)(1)(1)+=result_11;		\
+    ref(F)(1)(2)+=result_12;		\
+    ref(F)(2)(0)+=result_20;		\
+    ref(F)(2)(1)+=result_21;		\
+    ref(F)(2)(2)+=result_22;		\
+    ref(F)(3)(0)+=result_30;		\
+    ref(F)(3)(1)+=result_31;		\
+    ref(F)(3)(2)+=result_32;		\
+  }
+
+
+#define HAND_DECLARATIONS(a)			\
+  Simd result_00;				\
+  Simd result_01;				\
+  Simd result_02;				\
+  Simd result_10;				\
+  Simd result_11;				\
+  Simd result_12;				\
+  Simd result_20;				\
+  Simd result_21;				\
+  Simd result_22;				\
+  Simd result_30;				\
+  Simd result_31;				\
+  Simd result_32;				\
+  Simd Chi_00;					\
+  Simd Chi_01;					\
+  Simd Chi_02;					\
+  Simd Chi_10;					\
+  Simd Chi_11;					\
+  Simd Chi_12;					\
+  Simd UChi_00;					\
+  Simd UChi_01;					\
+  Simd UChi_02;					\
+  Simd UChi_10;					\
+  Simd UChi_11;					\
+  Simd UChi_12;					\
+  Simd U_00;					\
+  Simd U_10;					\
+  Simd U_20;					\
+  Simd U_01;					\
+  Simd U_11;					\
+  Simd U_21;
+
+#define ZERO_RESULT				\
+  result_00=zero;				\
+  result_01=zero;				\
+  result_02=zero;				\
+  result_10=zero;				\
+  result_11=zero;				\
+  result_12=zero;				\
+  result_20=zero;				\
+  result_21=zero;				\
+  result_22=zero;				\
+  result_30=zero;				\
+  result_31=zero;				\
+  result_32=zero;			
+
+#define Chimu_00 Chi_00
+#define Chimu_01 Chi_01
+#define Chimu_02 Chi_02
+#define Chimu_10 Chi_10
+#define Chimu_11 Chi_11
+#define Chimu_12 Chi_12
+#define Chimu_20 UChi_00
+#define Chimu_21 UChi_01
+#define Chimu_22 UChi_02
+#define Chimu_30 UChi_10
+#define Chimu_31 UChi_11
+#define Chimu_32 UChi_12
+
+namespace Grid {
+namespace QCD {
+
+template<class Impl> void 
+WilsonKernels<Impl>::HandDhopSite(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor  *buf,
+					  int ss,int sU,const FermionField &in, FermionField &out)
+{
+// T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
+  typedef typename Simd::scalar_type S;
+  typedef typename Simd::vector_type V;
+
+  HAND_DECLARATIONS(ignore);
+
+  int offset,local,perm, ptype;
+  StencilEntry *SE;
+
+#define HAND_DOP_SITE(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
+  HAND_STENCIL_LEG(XM_PROJ,3,Xp,XM_RECON,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(YM_PROJ,2,Yp,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);	\
+  HAND_STENCIL_LEG(ZM_PROJ,1,Zp,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(TM_PROJ,0,Tp,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(XP_PROJ,3,Xm,XP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(YP_PROJ,2,Ym,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(ZP_PROJ,1,Zm,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(TP_PROJ,0,Tm,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_RESULT(ss,F)
+
+  HAND_DOP_SITE(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+}
+
+template<class Impl>
+void WilsonKernels<Impl>::HandDhopSiteDag(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf,
+						  int ss,int sU,const FermionField &in, FermionField &out)
+{
+  typedef typename Simd::scalar_type S;
+  typedef typename Simd::vector_type V;
+
+  HAND_DECLARATIONS(ignore);
+
+  StencilEntry *SE;
+  int offset,local,perm, ptype;
+
+#define HAND_DOP_SITE_DAG(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
+  HAND_STENCIL_LEG(XP_PROJ,3,Xp,XP_RECON,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(YP_PROJ,2,Yp,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(ZP_PROJ,1,Zp,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(TP_PROJ,0,Tp,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(XM_PROJ,3,Xm,XM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(YM_PROJ,2,Ym,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(ZM_PROJ,1,Zm,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG(TM_PROJ,0,Tm,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_RESULT(ss,F)
+
+  HAND_DOP_SITE_DAG(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+}
+
+template<class Impl> void 
+WilsonKernels<Impl>::HandDhopSiteInt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor  *buf,
+					  int ss,int sU,const FermionField &in, FermionField &out)
+{
+// T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
+  typedef typename Simd::scalar_type S;
+  typedef typename Simd::vector_type V;
+
+  HAND_DECLARATIONS(ignore);
+
+  int offset,local,perm, ptype;
+  StencilEntry *SE;
+
+#define HAND_DOP_SITE_INT(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
+  ZERO_RESULT; \
+  HAND_STENCIL_LEG_INT(XM_PROJ,3,Xp,XM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_INT(YM_PROJ,2,Yp,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_INT(ZM_PROJ,1,Zp,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_INT(TM_PROJ,0,Tp,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_INT(XP_PROJ,3,Xm,XP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_INT(YP_PROJ,2,Ym,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_INT(ZP_PROJ,1,Zm,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_INT(TP_PROJ,0,Tm,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_RESULT(ss,F)
+
+  HAND_DOP_SITE_INT(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+}
+
+template<class Impl>
+void WilsonKernels<Impl>::HandDhopSiteDagInt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf,
+						  int ss,int sU,const FermionField &in, FermionField &out)
+{
+  typedef typename Simd::scalar_type S;
+  typedef typename Simd::vector_type V;
+
+  HAND_DECLARATIONS(ignore);
+
+  StencilEntry *SE;
+  int offset,local,perm, ptype;
+
+#define HAND_DOP_SITE_DAG_INT(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL)				\
+  ZERO_RESULT;							\
+  HAND_STENCIL_LEG_INT(XP_PROJ,3,Xp,XP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
+  HAND_STENCIL_LEG_INT(YP_PROJ,2,Yp,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
+  HAND_STENCIL_LEG_INT(ZP_PROJ,1,Zp,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
+  HAND_STENCIL_LEG_INT(TP_PROJ,0,Tp,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
+  HAND_STENCIL_LEG_INT(XM_PROJ,3,Xm,XM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
+  HAND_STENCIL_LEG_INT(YM_PROJ,2,Ym,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
+  HAND_STENCIL_LEG_INT(ZM_PROJ,1,Zm,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
+  HAND_STENCIL_LEG_INT(TM_PROJ,0,Tm,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL);		\
+  HAND_RESULT(ss,F)
+  
+  HAND_DOP_SITE_DAG_INT(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+}
+
+template<class Impl> void 
+WilsonKernels<Impl>::HandDhopSiteExt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor  *buf,
+					  int ss,int sU,const FermionField &in, FermionField &out)
+{
+// T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
+  typedef typename Simd::scalar_type S;
+  typedef typename Simd::vector_type V;
+
+  HAND_DECLARATIONS(ignore);
+
+  int offset,local,perm, ptype;
+  StencilEntry *SE;
+  int nmu=0;
+
+#define HAND_DOP_SITE_EXT(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
+  ZERO_RESULT; \
+  HAND_STENCIL_LEG_EXT(XM_PROJ,3,Xp,XM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(YM_PROJ,2,Yp,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(ZM_PROJ,1,Zp,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(TM_PROJ,0,Tp,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(XP_PROJ,3,Xm,XP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(YP_PROJ,2,Ym,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(ZP_PROJ,1,Zm,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(TP_PROJ,0,Tm,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_RESULT_EXT(ss,F)
+
+  HAND_DOP_SITE_EXT(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+}
+
+template<class Impl>
+void WilsonKernels<Impl>::HandDhopSiteDagExt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf,
+						  int ss,int sU,const FermionField &in, FermionField &out)
+{
+  typedef typename Simd::scalar_type S;
+  typedef typename Simd::vector_type V;
+
+  HAND_DECLARATIONS(ignore);
+
+  StencilEntry *SE;
+  int offset,local,perm, ptype;
+  int nmu=0;
+
+#define HAND_DOP_SITE_DAG_EXT(F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL) \
+  ZERO_RESULT; \
+  HAND_STENCIL_LEG_EXT(XP_PROJ,3,Xp,XP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(YP_PROJ,2,Yp,YP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(ZP_PROJ,1,Zp,ZP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(TP_PROJ,0,Tp,TP_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(XM_PROJ,3,Xm,XM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(YM_PROJ,2,Ym,YM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(ZM_PROJ,1,Zm,ZM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_STENCIL_LEG_EXT(TM_PROJ,0,Tm,TM_RECON_ACCUM,F,LOAD_CHI_IMPL,LOAD_CHIMU_IMPL,MULT_2SPIN_IMPL); \
+  HAND_RESULT_EXT(ss,F)
+
+  HAND_DOP_SITE_DAG_EXT(, LOAD_CHI,LOAD_CHIMU,MULT_2SPIN);
+}
+
+#define HAND_SPECIALISE_GPARITY(IMPL)					\
+  template<> void							\
+  WilsonKernels<IMPL>::HandDhopSite(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor  *buf, \
+				    int ss,int sU,const FermionField &in, FermionField &out) \
+  {									\
+    typedef IMPL Impl;							\
+    typedef typename Simd::scalar_type S;				\
+    typedef typename Simd::vector_type V;				\
+									\
+    HAND_DECLARATIONS(ignore);						\
+									\
+    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist; \
+    StencilEntry *SE;							\
+    HAND_DOP_SITE(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+    HAND_DOP_SITE(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+  }									\
+									\
+  template<>								\
+  void WilsonKernels<IMPL>::HandDhopSiteDag(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf, \
+					    int ss,int sU,const FermionField &in, FermionField &out) \
+  {									\
+    typedef IMPL Impl;							\
+    typedef typename Simd::scalar_type S;				\
+    typedef typename Simd::vector_type V;				\
+									\
+    HAND_DECLARATIONS(ignore);						\
+									\
+    StencilEntry *SE;							\
+    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist;					\
+    HAND_DOP_SITE_DAG(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+    HAND_DOP_SITE_DAG(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+  }									\
+									\
+  template<> void							\
+  WilsonKernels<IMPL>::HandDhopSiteInt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor  *buf, \
+						     int ss,int sU,const FermionField &in, FermionField &out) \
+  {									\
+    typedef IMPL Impl;							\
+    typedef typename Simd::scalar_type S;				\
+    typedef typename Simd::vector_type V;				\
+									\
+    HAND_DECLARATIONS(ignore);						\
+									\
+    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist;					\
+    StencilEntry *SE;							\
+    HAND_DOP_SITE_INT(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+    HAND_DOP_SITE_INT(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+  }									\
+									\
+  template<>								\
+  void WilsonKernels<IMPL>::HandDhopSiteDagInt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf, \
+							     int ss,int sU,const FermionField &in, FermionField &out) \
+  {									\
+    typedef IMPL Impl;							\
+    typedef typename Simd::scalar_type S;				\
+    typedef typename Simd::vector_type V;				\
+									\
+    HAND_DECLARATIONS(ignore);						\
+									\
+    StencilEntry *SE;							\
+    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist; \
+    HAND_DOP_SITE_DAG_INT(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+    HAND_DOP_SITE_DAG_INT(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+  }									\
+									\
+  template<> void							\
+  WilsonKernels<IMPL>::HandDhopSiteExt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor  *buf, \
+						     int ss,int sU,const FermionField &in, FermionField &out) \
+  {									\
+    typedef IMPL Impl;							\
+    typedef typename Simd::scalar_type S;				\
+    typedef typename Simd::vector_type V;				\
+									\
+    HAND_DECLARATIONS(ignore);						\
+									\
+    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist; \
+    StencilEntry *SE;							\
+    int nmu=0;								\
+    HAND_DOP_SITE_EXT(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+    nmu = 0;								\
+    HAND_DOP_SITE_EXT(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+  }									\
+  template<>								\
+  void WilsonKernels<IMPL>::HandDhopSiteDagExt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf, \
+							     int ss,int sU,const FermionField &in, FermionField &out) \
+  {									\
+    typedef IMPL Impl;							\
+    typedef typename Simd::scalar_type S;				\
+    typedef typename Simd::vector_type V;				\
+									\
+    HAND_DECLARATIONS(ignore);						\
+									\
+    StencilEntry *SE;							\
+    int offset,local,perm, ptype, g, direction, distance, sl, inplace_twist; \
+    int nmu=0;								\
+    HAND_DOP_SITE_DAG_EXT(0, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+    nmu = 0;								\
+    HAND_DOP_SITE_DAG_EXT(1, LOAD_CHI_GPARITY,LOAD_CHIMU_GPARITY,MULT_2SPIN_GPARITY); \
+  }
+
+
+HAND_SPECIALISE_GPARITY(GparityWilsonImplF);
+HAND_SPECIALISE_GPARITY(GparityWilsonImplD);
+HAND_SPECIALISE_GPARITY(GparityWilsonImplFH);
+HAND_SPECIALISE_GPARITY(GparityWilsonImplDF);
+
+
+
+
+
+
+
+
+
+
+  
+////////////// Wilson ; uses this implementation /////////////////////
+
+#define INSTANTIATE_THEM(A) \
+template void WilsonKernels<A>::HandDhopSite(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf,\
+					     int ss,int sU,const FermionField &in, FermionField &out); \
+template void WilsonKernels<A>::HandDhopSiteDag(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf, \
+						int ss,int sU,const FermionField &in, FermionField &out);\
+template void WilsonKernels<A>::HandDhopSiteInt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf,\
+						int ss,int sU,const FermionField &in, FermionField &out); \
+template void WilsonKernels<A>::HandDhopSiteDagInt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf, \
+						   int ss,int sU,const FermionField &in, FermionField &out); \
+template void WilsonKernels<A>::HandDhopSiteExt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf,\
+						int ss,int sU,const FermionField &in, FermionField &out); \
+template void WilsonKernels<A>::HandDhopSiteDagExt(StencilImpl &st,LebesgueOrder &lo,DoubledGaugeField &U,SiteHalfSpinor *buf, \
+						   int ss,int sU,const FermionField &in, FermionField &out); 
+
+INSTANTIATE_THEM(GparityWilsonImplF);
+INSTANTIATE_THEM(GparityWilsonImplD);
+INSTANTIATE_THEM(GparityWilsonImplFH);
+INSTANTIATE_THEM(GparityWilsonImplDF);
+}}

lib/qcd/action/gauge/WilsonGaugeAction.h

@@ -71,18 +71,14 @@ class WilsonGaugeAction : public Action<typename Gimpl::GaugeField> {
 
     RealD factor = 0.5 * beta / RealD(Nc);
 
-    //GaugeLinkField Umu(U._grid);
+    GaugeLinkField Umu(U._grid);
     GaugeLinkField dSdU_mu(U._grid);
     for (int mu = 0; mu < Nd; mu++) {
-      //Umu = PeekIndex<LorentzIndex>(U, mu);
+      Umu = PeekIndex<LorentzIndex>(U, mu);
 
       // Staple in direction mu
-      //WilsonLoops<Gimpl>::Staple(dSdU_mu, U, mu);
-      //dSdU_mu = Ta(Umu * dSdU_mu) * factor;
-
-  
-      WilsonLoops<Gimpl>::StapleMult(dSdU_mu, U, mu);
-      dSdU_mu = Ta(dSdU_mu) * factor;
+      WilsonLoops<Gimpl>::Staple(dSdU_mu, U, mu);
+      dSdU_mu = Ta(Umu * dSdU_mu) * factor;
 
       PokeIndex<LorentzIndex>(dSdU, dSdU_mu, mu);
     }

lib/qcd/action/pseudofermion/EvenOddSchurDifferentiable.h

@@ -140,6 +140,7 @@ namespace Grid{
 
     };
 
+
   }
 }
 #endif

lib/qcd/action/scalar/Scalar.h

@@ -32,7 +32,6 @@ directory
 #include <Grid/qcd/action/scalar/ScalarImpl.h>
 #include <Grid/qcd/action/scalar/ScalarAction.h>
 #include <Grid/qcd/action/scalar/ScalarInteractionAction.h>
-#include <Grid/qcd/action/scalar/shGordonAction.h>
 
 namespace Grid {
 namespace QCD {
@@ -45,9 +44,6 @@ namespace QCD {
   template <int Colours, int Dimensions> using ScalarAdjActionF = ScalarInteractionAction<ScalarNxNAdjImplF<Colours>, Dimensions>;
   template <int Colours, int Dimensions> using ScalarAdjActionD = ScalarInteractionAction<ScalarNxNAdjImplD<Colours>, Dimensions>;
   
-  typedef shGordonAction<ScalarImplR>                 shGordonActionR;
-  typedef shGordonAction<ScalarImplF>                 shGordonActionF;
-  typedef shGordonAction<ScalarImplD>                 shGordonActionD;
 }
 }
 

lib/qcd/action/scalar/ScalarImpl.h

@@ -29,9 +29,7 @@ class ScalarImplTypes {
     static inline Field projectForce(Field& P){return P;}
 
     static inline void update_field(Field& P, Field& U, double ep) {
-      //std::cout << GridLogDebug << "P:\n" << P << std::endl;
       U += P*ep;
-      //std::cout << GridLogDebug << "U:\n" << U << std::endl;
     }
 
     static inline RealD FieldSquareNorm(Field& U) {
@@ -39,17 +37,15 @@ class ScalarImplTypes {
     }
 
     static inline void HotConfiguration(GridParallelRNG &pRNG, Field &U) {
-     random(pRNG, U);
+      gaussian(pRNG, U);
     }
 
     static inline void TepidConfiguration(GridParallelRNG &pRNG, Field &U) {
-      random(pRNG, U);
-      U *= 0.01;
+      gaussian(pRNG, U);
     }
 
     static inline void ColdConfiguration(GridParallelRNG &pRNG, Field &U) {
-      U = 0.0;
-      //std::cout << GridLogDebug << "Initial U:\n" << U << std::endl;
+      U = 1.0;
     }
 
     static void MomentumSpacePropagator(Field &out, RealD m)