Merge pull request #407 from giltirn/feature/dirichlet-gparity-stage

Import round 4

Grid/DisableWarnings.h

@@ -34,9 +34,6 @@ directory
 
 #if defined __GNUC__ && __GNUC__>=6
 #pragma GCC diagnostic ignored "-Wignored-attributes"
-#endif
-#if defined __GNUC__ 
-#pragma GCC diagnostic ignored "-Wpsabi"
 #endif
 
  //disables and intel compiler specific warning (in json.hpp)

Grid/GridStd.h

@@ -16,6 +16,7 @@
 #include <functional>
 #include <stdio.h>
 #include <stdlib.h>
+#include <strings.h>
 #include <stdio.h>
 #include <signal.h>
 #include <ctime>

Grid/algorithms/approx/Chebyshev.h

@@ -292,7 +292,6 @@ public:
 template<class Field>
 class ChebyshevLanczos : public Chebyshev<Field> {
 private:
-
   std::vector<RealD> Coeffs;
   int order;
   RealD alpha;

Grid/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -82,11 +82,6 @@ NAMESPACE_BEGIN(Grid);
     RealD stop = src_norm * Tolerance*Tolerance;
 
     GridBase* DoublePrecGrid = src_d_in.Grid();
-
-    //Generate precision change workspaces
-    precisionChangeWorkspace wk_dp_from_sp(DoublePrecGrid, SinglePrecGrid);
-    precisionChangeWorkspace wk_sp_from_dp(SinglePrecGrid, DoublePrecGrid);
-
     FieldD tmp_d(DoublePrecGrid);
     tmp_d.Checkerboard() = cb;
     
@@ -128,7 +123,7 @@ NAMESPACE_BEGIN(Grid);
       while(norm * inner_tol * inner_tol < stop) inner_tol *= 2;  // inner_tol = sqrt(stop/norm) ??
 
       PrecChangeTimer.Start();
-      precisionChange(src_f, src_d, wk_sp_from_dp);
+      precisionChange(src_f, src_d);
       PrecChangeTimer.Stop();
       
       sol_f = Zero();
@@ -147,7 +142,7 @@ NAMESPACE_BEGIN(Grid);
       
       //Convert sol back to double and add to double prec solution
       PrecChangeTimer.Start();
-      precisionChange(tmp_d, sol_f, wk_dp_from_sp);
+      precisionChange(tmp_d, sol_f);
       PrecChangeTimer.Stop();
       
       axpy(sol_d, 1.0, tmp_d, sol_d);

Grid/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h

@@ -128,8 +128,6 @@ public:
   void operator() (LinearOperatorBase<FieldD> &Linop_d, const FieldD &src_d, std::vector<FieldD> &psi_d)
   { 
     GridBase *DoublePrecGrid = src_d.Grid();
-    precisionChangeWorkspace wk_f_from_d(SinglePrecGrid, DoublePrecGrid);
-    precisionChangeWorkspace wk_d_from_f(DoublePrecGrid, SinglePrecGrid);
 
     ////////////////////////////////////////////////////////////////////////
     // Convenience references to the info stored in "MultiShiftFunction"
@@ -170,7 +168,7 @@ public:
     FieldF tmp_f(SinglePrecGrid);
     FieldF mmp_f(SinglePrecGrid);
     FieldF src_f(SinglePrecGrid);
-    precisionChange(src_f, src_d, wk_f_from_d);
+    precisionChange(src_f, src_d);
 
     // Check lightest mass
     for(int s=0;s<nshift;s++){
@@ -245,7 +243,7 @@ public:
 
       //Update double precision search direction by residual
       PrecChangeTimer.Start();
-      precisionChange(r_d, r_f, wk_d_from_f);
+      precisionChange(r_d, r_f);
       PrecChangeTimer.Stop();
 
       AXPYTimer.Start();
@@ -264,7 +262,7 @@ public:
       AXPYTimer.Stop();
 
       PrecChangeTimer.Start();
-      precisionChange(p_f, p_d, wk_f_from_d); //get back single prec search direction for linop
+      precisionChange(p_f, p_d); //get back single prec search direction for linop
       PrecChangeTimer.Stop();
 
       cp=c;
@@ -327,7 +325,7 @@ public:
 	std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<< ", replaced |r|^2 = "<<c_f <<" with |r|^2 = "<<c_d<<std::endl;
 	
 	PrecChangeTimer.Start();
-	precisionChange(r_f, r_d, wk_f_from_d);
+	precisionChange(r_f, r_d);
 	PrecChangeTimer.Stop();
 	c = c_d;
       }

Grid/communicator/Communicator_base.h

@@ -53,10 +53,11 @@ public:
   // Communicator should know nothing of the physics grid, only processor grid.
   ////////////////////////////////////////////
   int              _Nprocessors;     // How many in all
-  Coordinate _processors;      // Which dimensions get relayed out over processors lanes.
   int              _processor;       // linear processor rank
-  Coordinate _processor_coor;  // linear processor coordinate
   unsigned long    _ndimension;
+  Coordinate _shm_processors;  // Which dimensions get relayed out over processors lanes.
+  Coordinate _processors;      // Which dimensions get relayed out over processors lanes.
+  Coordinate _processor_coor;  // linear processor coordinate
   static Grid_MPI_Comm      communicator_world;
   Grid_MPI_Comm             communicator;
   std::vector<Grid_MPI_Comm> communicator_halo;
@@ -97,8 +98,9 @@ public:
   int                      BossRank(void)          ;
   int                      ThisRank(void)          ;
   const Coordinate & ThisProcessorCoor(void) ;
+  const Coordinate & ShmGrid(void)  { return _shm_processors; }  ;
   const Coordinate & ProcessorGrid(void)     ;
-  int                      ProcessorCount(void)    ;
+  int                ProcessorCount(void)    ;
 
   ////////////////////////////////////////////////////////////////////////////////
   // very VERY rarely (Log, serial RNG) we need world without a grid
@@ -142,16 +144,16 @@ public:
 		      int bytes);
   
   double StencilSendToRecvFrom(void *xmit,
-			       int xmit_to_rank,
+			       int xmit_to_rank,int do_xmit,
 			       void *recv,
-			       int recv_from_rank,
+			       int recv_from_rank,int do_recv,
 			       int bytes,int dir);
 
   double StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 				    void *xmit,
-				    int xmit_to_rank,
+				    int xmit_to_rank,int do_xmit,
 				    void *recv,
-				    int recv_from_rank,
+				    int recv_from_rank,int do_recv,
 				    int bytes,int dir);
   
   

Grid/communicator/Communicator_mpi3.cc

@@ -106,7 +106,7 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors)
   // Remap using the shared memory optimising routine
   // The remap creates a comm which must be freed
   ////////////////////////////////////////////////////
-  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm);
+  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm,_shm_processors);
   InitFromMPICommunicator(processors,optimal_comm);
   SetCommunicator(optimal_comm);
   ///////////////////////////////////////////////////
@@ -124,12 +124,13 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const
   int parent_ndimension = parent._ndimension; assert(_ndimension >= parent._ndimension);
   Coordinate parent_processor_coor(_ndimension,0);
   Coordinate parent_processors    (_ndimension,1);
-
+  Coordinate shm_processors       (_ndimension,1);
   // Can make 5d grid from 4d etc...
   int pad = _ndimension-parent_ndimension;
   for(int d=0;d<parent_ndimension;d++){
     parent_processor_coor[pad+d]=parent._processor_coor[d];
     parent_processors    [pad+d]=parent._processors[d];
+    shm_processors       [pad+d]=parent._shm_processors[d];
   }
 
   //////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -154,6 +155,7 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const
     ccoor[d] = parent_processor_coor[d] % processors[d];
     scoor[d] = parent_processor_coor[d] / processors[d];
     ssize[d] = parent_processors[d]     / processors[d];
+    if ( processors[d] < shm_processors[d] ) shm_processors[d] = processors[d]; // subnode splitting.
   }
 
   // rank within subcomm ; srank is rank of subcomm within blocks of subcomms
@@ -335,22 +337,22 @@ void CartesianCommunicator::SendToRecvFrom(void *xmit,
 }
 // Basic Halo comms primitive
 double CartesianCommunicator::StencilSendToRecvFrom( void *xmit,
-						     int dest,
+						     int dest, int dox,
 						     void *recv,
-						     int from,
+						     int from, int dor,
 						     int bytes,int dir)
 {
   std::vector<CommsRequest_t> list;
-  double offbytes = StencilSendToRecvFromBegin(list,xmit,dest,recv,from,bytes,dir);
+  double offbytes = StencilSendToRecvFromBegin(list,xmit,dest,dox,recv,from,dor,bytes,dir);
   StencilSendToRecvFromComplete(list,dir);
   return offbytes;
 }
 
 double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 							 void *xmit,
-							 int dest,
+							 int dest,int dox,
 							 void *recv,
-							 int from,
+							 int from,int dor,
 							 int bytes,int dir)
 {
   int ncomm  =communicator_halo.size();
@@ -370,28 +372,32 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
   double off_node_bytes=0.0;
   int tag;
 
-  if ( (gfrom ==MPI_UNDEFINED) || Stencil_force_mpi ) {
-    tag= dir+from*32;
-    ierr=MPI_Irecv(recv, bytes, MPI_CHAR,from,tag,communicator_halo[commdir],&rrq);
-    assert(ierr==0);
-    list.push_back(rrq);
-    off_node_bytes+=bytes;
+  if ( dox ) {
+    if ( (gfrom ==MPI_UNDEFINED) || Stencil_force_mpi ) {
+      tag= dir+from*32;
+      ierr=MPI_Irecv(recv, bytes, MPI_CHAR,from,tag,communicator_halo[commdir],&rrq);
+      assert(ierr==0);
+      list.push_back(rrq);
+      off_node_bytes+=bytes;
+    }
   }
-
-  if ( (gdest == MPI_UNDEFINED) || Stencil_force_mpi ) {
-    tag= dir+_processor*32;
-    ierr =MPI_Isend(xmit, bytes, MPI_CHAR,dest,tag,communicator_halo[commdir],&xrq);
-    assert(ierr==0);
-    list.push_back(xrq);
-    off_node_bytes+=bytes;
-  } else {
+  
+  if (dor) {
+    if ( (gdest == MPI_UNDEFINED) || Stencil_force_mpi ) {
+      tag= dir+_processor*32;
+      ierr =MPI_Isend(xmit, bytes, MPI_CHAR,dest,tag,communicator_halo[commdir],&xrq);
+      assert(ierr==0);
+      list.push_back(xrq);
+      off_node_bytes+=bytes;
+    } else {
     // TODO : make a OMP loop on CPU, call threaded bcopy
-    void *shm = (void *) this->ShmBufferTranslate(dest,recv);
-    assert(shm!=NULL);
-    //    std::cout <<"acceleratorCopyDeviceToDeviceAsynch"<< std::endl;
-    acceleratorCopyDeviceToDeviceAsynch(xmit,shm,bytes);
+      void *shm = (void *) this->ShmBufferTranslate(dest,recv);
+      assert(shm!=NULL);
+      //    std::cout <<"acceleratorCopyDeviceToDeviceAsynch"<< std::endl;
+      acceleratorCopyDeviceToDeviceAsynch(xmit,shm,bytes);
+    }
   }
-
+  
   if ( CommunicatorPolicy == CommunicatorPolicySequential ) {
     this->StencilSendToRecvFromComplete(list,dir);
   }

Grid/communicator/Communicator_none.cc

@@ -45,12 +45,14 @@ void CartesianCommunicator::Init(int *argc, char *** arv)
 CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const CartesianCommunicator &parent,int &srank) 
   : CartesianCommunicator(processors) 
 {
+  _shm_processors = Coordinate(processors.size(),1);
   srank=0;
   SetCommunicator(communicator_world);
 }
 
 CartesianCommunicator::CartesianCommunicator(const Coordinate &processors)
 {
+  _shm_processors = Coordinate(processors.size(),1);
   _processors = processors;
   _ndimension = processors.size();  assert(_ndimension>=1);
   _processor_coor.resize(_ndimension);
@@ -111,18 +113,18 @@ void CartesianCommunicator::ShiftedRanks(int dim,int shift,int &source,int &dest
 }
 
 double CartesianCommunicator::StencilSendToRecvFrom( void *xmit,
-						     int xmit_to_rank,
+						     int xmit_to_rank,int dox,
 						     void *recv,
-						     int recv_from_rank,
+						     int recv_from_rank,int dor,
 						     int bytes, int dir)
 {
   return 2.0*bytes;
 }
 double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 							 void *xmit,
-							 int xmit_to_rank,
+							 int xmit_to_rank,int dox,
 							 void *recv,
-							 int recv_from_rank,
+							 int recv_from_rank,int dor,
 							 int bytes, int dir)
 {
   return 2.0*bytes;

Grid/communicator/SharedMemory.h

@@ -93,9 +93,10 @@ public:
   // Create an optimal reordered communicator that makes MPI_Cart_create get it right
   //////////////////////////////////////////////////////////////////////////////////////
   static void Init(Grid_MPI_Comm comm); // Typically MPI_COMM_WORLD
-  static void OptimalCommunicator            (const Coordinate &processors,Grid_MPI_Comm & optimal_comm);  // Turns MPI_COMM_WORLD into right layout for Cartesian
-  static void OptimalCommunicatorHypercube   (const Coordinate &processors,Grid_MPI_Comm & optimal_comm);  // Turns MPI_COMM_WORLD into right layout for Cartesian
-  static void OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm);  // Turns MPI_COMM_WORLD into right layout for Cartesian
+  // Turns MPI_COMM_WORLD into right layout for Cartesian
+  static void OptimalCommunicator            (const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &ShmDims); 
+  static void OptimalCommunicatorHypercube   (const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &ShmDims); 
+  static void OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &ShmDims); 
   static void GetShmDims(const Coordinate &WorldDims,Coordinate &ShmDims);
   ///////////////////////////////////////////////////
   // Provide shared memory facilities off comm world

Grid/communicator/SharedMemoryMPI.cc

@@ -152,7 +152,7 @@ int Log2Size(int TwoToPower,int MAXLOG2)
   }
   return log2size;
 }
-void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm)
+void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
   //////////////////////////////////////////////////////////////////////////////
   // Look and see if it looks like an HPE 8600 based on hostname conventions
@@ -165,8 +165,8 @@ void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_M
   gethostname(name,namelen);
   int nscan = sscanf(name,"r%di%dn%d",&R,&I,&N) ;
 
-  if(nscan==3 && HPEhypercube ) OptimalCommunicatorHypercube(processors,optimal_comm);
-  else                          OptimalCommunicatorSharedMemory(processors,optimal_comm);
+  if(nscan==3 && HPEhypercube ) OptimalCommunicatorHypercube(processors,optimal_comm,SHM);
+  else                          OptimalCommunicatorSharedMemory(processors,optimal_comm,SHM);
 }
 static inline int divides(int a,int b)
 {
@@ -221,7 +221,7 @@ void GlobalSharedMemory::GetShmDims(const Coordinate &WorldDims,Coordinate &ShmD
     dim=(dim+1) %ndimension;
   }
 }
-void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processors,Grid_MPI_Comm & optimal_comm)
+void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
   ////////////////////////////////////////////////////////////////
   // Assert power of two shm_size.
@@ -294,7 +294,8 @@ void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processo
   Coordinate HyperCoor(ndimension);
 
   GetShmDims(WorldDims,ShmDims);
-
+  SHM = ShmDims;
+  
   ////////////////////////////////////////////////////////////////
   // Establish torus of processes and nodes with sub-blockings
   ////////////////////////////////////////////////////////////////
@@ -341,7 +342,7 @@ void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processo
   int ierr= MPI_Comm_split(WorldComm,0,rank,&optimal_comm);
   assert(ierr==0);
 }
-void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm)
+void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
   ////////////////////////////////////////////////////////////////
   // Identify subblock of ranks on node spreading across dims
@@ -353,6 +354,8 @@ void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &proce
   Coordinate ShmCoor(ndimension);    Coordinate NodeCoor(ndimension);   Coordinate WorldCoor(ndimension);
 
   GetShmDims(WorldDims,ShmDims);
+  SHM=ShmDims;
+
   ////////////////////////////////////////////////////////////////
   // Establish torus of processes and nodes with sub-blockings
   ////////////////////////////////////////////////////////////////

Grid/communicator/SharedMemoryNone.cc

@@ -48,9 +48,10 @@ void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
   _ShmSetup=1;
 }
 
-void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm)
+void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
   optimal_comm = WorldComm;
+  SHM = Coordinate(processors.size(),1);
 }
 
 ////////////////////////////////////////////////////////////////////////////////////////////

Grid/lattice/Lattice_crc.h

@@ -29,6 +29,19 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 NAMESPACE_BEGIN(Grid);
 
+template<class vobj> void DumpSliceNorm(std::string s,Lattice<vobj> &f,int mu=-1)
+{
+  auto ff = localNorm2(f);
+  if ( mu==-1 ) mu = f.Grid()->Nd()-1;
+  typedef typename vobj::tensor_reduced normtype;
+  typedef typename normtype::scalar_object scalar;
+  std::vector<scalar> sff;
+  sliceSum(ff,sff,mu);
+  for(int t=0;t<sff.size();t++){
+    std::cout << s<<" "<<t<<" "<<sff[t]<<std::endl;
+  }
+}
+
 template<class vobj> uint32_t crc(Lattice<vobj> & buf)
 {
   autoView( buf_v , buf, CpuRead);

Grid/lattice/Lattice_reduction.h

@@ -142,6 +142,15 @@ inline typename vobj::scalar_objectD sumD(const vobj *arg, Integer osites)
   return sumD_cpu(arg,osites);
 #endif  
 }
+template<class vobj>
+inline typename vobj::scalar_objectD sumD_large(const vobj *arg, Integer osites)
+{
+#if defined(GRID_CUDA)||defined(GRID_HIP)
+  return sumD_gpu_large(arg,osites);
+#else
+  return sumD_cpu(arg,osites);
+#endif  
+}
 
 template<class vobj>
 inline typename vobj::scalar_object sum(const Lattice<vobj> &arg)
@@ -159,6 +168,22 @@ inline typename vobj::scalar_object sum(const Lattice<vobj> &arg)
   return ssum;
 }
 
+template<class vobj>
+inline typename vobj::scalar_object sum_large(const Lattice<vobj> &arg)
+{
+#if defined(GRID_CUDA)||defined(GRID_HIP)
+  autoView( arg_v, arg, AcceleratorRead);
+  Integer osites = arg.Grid()->oSites();
+  auto ssum= sum_gpu_large(&arg_v[0],osites);
+#else
+  autoView(arg_v, arg, CpuRead);
+  Integer osites = arg.Grid()->oSites();
+  auto ssum= sum_cpu(&arg_v[0],osites);
+#endif
+  arg.Grid()->GlobalSum(ssum);
+  return ssum;
+}
+
 ////////////////////////////////////////////////////////////////////////////////////////////////////
 // Deterministic Reduction operations
 ////////////////////////////////////////////////////////////////////////////////////////////////////

Grid/lattice/Lattice_reduction_gpu.h

@@ -23,7 +23,7 @@ unsigned int nextPow2(Iterator x) {
 }
 
 template <class Iterator>
-void getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator &threads, Iterator &blocks) {
+int getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator &threads, Iterator &blocks) {
   
   int device;
 #ifdef GRID_CUDA
@@ -37,13 +37,13 @@ void getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator
   Iterator sharedMemPerBlock   = gpu_props[device].sharedMemPerBlock;
   Iterator maxThreadsPerBlock  = gpu_props[device].maxThreadsPerBlock;
   Iterator multiProcessorCount = gpu_props[device].multiProcessorCount;
-  
+  /*  
   std::cout << GridLogDebug << "GPU has:" << std::endl;
   std::cout << GridLogDebug << "\twarpSize            = " << warpSize << std::endl;
   std::cout << GridLogDebug << "\tsharedMemPerBlock   = " << sharedMemPerBlock << std::endl;
   std::cout << GridLogDebug << "\tmaxThreadsPerBlock  = " << maxThreadsPerBlock << std::endl;
   std::cout << GridLogDebug << "\tmultiProcessorCount = " << multiProcessorCount << std::endl;
-  
+  */  
   if (warpSize != WARP_SIZE) {
     std::cout << GridLogError << "The warp size of the GPU in use does not match the warp size set when compiling Grid." << std::endl;
     exit(EXIT_FAILURE);
@@ -53,12 +53,12 @@ void getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator
   threads = warpSize;
   if ( threads*sizeofsobj > sharedMemPerBlock ) {
     std::cout << GridLogError << "The object is too large for the shared memory." << std::endl;
-    exit(EXIT_FAILURE);
+    return 0;
   }
   while( 2*threads*sizeofsobj < sharedMemPerBlock && 2*threads <= maxThreadsPerBlock ) threads *= 2;
   // keep all the streaming multiprocessors busy
   blocks = nextPow2(multiProcessorCount);
-  
+  return 1;
 }
 
 template <class sobj, class Iterator>
@@ -198,7 +198,7 @@ __global__ void reduceKernel(const vobj *lat, sobj *buffer, Iterator n) {
 // Possibly promote to double and sum
 /////////////////////////////////////////////////////////////////////////////////////////////////////////
 template <class vobj>
-inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites) 
+inline typename vobj::scalar_objectD sumD_gpu_small(const vobj *lat, Integer osites) 
 {
   typedef typename vobj::scalar_objectD sobj;
   typedef decltype(lat) Iterator;
@@ -207,7 +207,9 @@ inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites)
   Integer size = osites*nsimd;
 
   Integer numThreads, numBlocks;
-  getNumBlocksAndThreads(size, sizeof(sobj), numThreads, numBlocks);
+  int ok = getNumBlocksAndThreads(size, sizeof(sobj), numThreads, numBlocks);
+  assert(ok);
+
   Integer smemSize = numThreads * sizeof(sobj);
 
   Vector<sobj> buffer(numBlocks);
@@ -218,6 +220,54 @@ inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites)
   auto result = buffer_v[0];
   return result;
 }
+
+template <class vobj>
+inline typename vobj::scalar_objectD sumD_gpu_large(const vobj *lat, Integer osites)
+{
+  typedef typename vobj::vector_type  vector;
+  typedef typename vobj::scalar_typeD scalarD;
+  typedef typename vobj::scalar_objectD sobj;
+  sobj ret;
+  scalarD *ret_p = (scalarD *)&ret;
+  
+  const int words = sizeof(vobj)/sizeof(vector);
+
+  Vector<vector> buffer(osites);
+  vector *dat = (vector *)lat;
+  vector *buf = &buffer[0];
+  iScalar<vector> *tbuf =(iScalar<vector> *)  &buffer[0];
+  for(int w=0;w<words;w++) {
+
+    accelerator_for(ss,osites,1,{
+	buf[ss] = dat[ss*words+w];
+      });
+      
+    ret_p[w] = sumD_gpu_small(tbuf,osites);
+  }
+  return ret;
+}
+
+template <class vobj>
+inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites)
+{
+  typedef typename vobj::vector_type  vector;
+  typedef typename vobj::scalar_typeD scalarD;
+  typedef typename vobj::scalar_objectD sobj;
+  sobj ret;
+  
+  Integer nsimd= vobj::Nsimd();
+  Integer size = osites*nsimd;
+  Integer numThreads, numBlocks;
+  int ok = getNumBlocksAndThreads(size, sizeof(sobj), numThreads, numBlocks);
+  
+  if ( ok ) {
+    ret = sumD_gpu_small(lat,osites);
+  } else {
+    ret = sumD_gpu_large(lat,osites);
+  }
+  return ret;
+}
+
 /////////////////////////////////////////////////////////////////////////////////////////////////////////
 // Return as same precision as input performing reduction in double precision though
 /////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -230,6 +280,13 @@ inline typename vobj::scalar_object sum_gpu(const vobj *lat, Integer osites)
   return result;
 }
 
-
+template <class vobj>
+inline typename vobj::scalar_object sum_gpu_large(const vobj *lat, Integer osites)
+{
+  typedef typename vobj::scalar_object sobj;
+  sobj result;
+  result = sumD_gpu_large(lat,osites);
+  return result;
+}
 
 NAMESPACE_END(Grid);

Grid/lattice/Lattice_rng.h

@@ -32,9 +32,8 @@
 #include <random>
 
 #ifdef RNG_SITMO
-#include <Grid/random/sitmo_prng_engine.hpp>
+#include <Grid/sitmo_rng/sitmo_prng_engine.hpp>
 #endif 
-#include <Grid/random/gaussian.h>
 
 #if defined(RNG_SITMO)
 #define RNG_FAST_DISCARD
@@ -143,8 +142,8 @@ public:
 
   std::vector<RngEngine>                             _generators;
   std::vector<std::uniform_real_distribution<RealD> > _uniform;
-  std::vector<Grid::gaussian_distribution<RealD> >       _gaussian;
-  //  std::vector<std::discrete_distribution<int32_t> >   _bernoulli;
+  std::vector<std::normal_distribution<RealD> >       _gaussian;
+  std::vector<std::discrete_distribution<int32_t> >   _bernoulli;
   std::vector<std::uniform_int_distribution<uint32_t> > _uid;
 
   ///////////////////////
@@ -244,8 +243,8 @@ public:
   GridSerialRNG() : GridRNGbase() {
     _generators.resize(1);
     _uniform.resize(1,std::uniform_real_distribution<RealD>{0,1});
-    _gaussian.resize(1,gaussian_distribution<RealD>(0.0,1.0) );
-    //    _bernoulli.resize(1,std::discrete_distribution<int32_t>{1,1});
+    _gaussian.resize(1,std::normal_distribution<RealD>(0.0,1.0) );
+    _bernoulli.resize(1,std::discrete_distribution<int32_t>{1,1});
     _uid.resize(1,std::uniform_int_distribution<uint32_t>() );
   }
 
@@ -358,8 +357,8 @@ public:
 
     _generators.resize(_vol);
     _uniform.resize(_vol,std::uniform_real_distribution<RealD>{0,1});
-    _gaussian.resize(_vol,gaussian_distribution<RealD>(0.0,1.0) );
-    //    _bernoulli.resize(_vol,std::discrete_distribution<int32_t>{1,1});
+    _gaussian.resize(_vol,std::normal_distribution<RealD>(0.0,1.0) );
+    _bernoulli.resize(_vol,std::discrete_distribution<int32_t>{1,1});
     _uid.resize(_vol,std::uniform_int_distribution<uint32_t>() );
   }
 
@@ -516,11 +515,11 @@ public:
 
 template <class vobj> inline void random(GridParallelRNG &rng,Lattice<vobj> &l)   { rng.fill(l,rng._uniform);  }
 template <class vobj> inline void gaussian(GridParallelRNG &rng,Lattice<vobj> &l) { rng.fill(l,rng._gaussian); }
-//template <class vobj> inline void bernoulli(GridParallelRNG &rng,Lattice<vobj> &l){ rng.fill(l,rng._bernoulli);}
+template <class vobj> inline void bernoulli(GridParallelRNG &rng,Lattice<vobj> &l){ rng.fill(l,rng._bernoulli);}
 
 template <class sobj> inline void random(GridSerialRNG &rng,sobj &l)   { rng.fill(l,rng._uniform  ); }
 template <class sobj> inline void gaussian(GridSerialRNG &rng,sobj &l) { rng.fill(l,rng._gaussian ); }
-//template <class sobj> inline void bernoulli(GridSerialRNG &rng,sobj &l){ rng.fill(l,rng._bernoulli); }
+template <class sobj> inline void bernoulli(GridSerialRNG &rng,sobj &l){ rng.fill(l,rng._bernoulli); }
 
 NAMESPACE_END(Grid);
 #endif

Grid/lattice/Lattice_transfer.h

@@ -1080,95 +1080,53 @@ vectorizeFromRevLexOrdArray( std::vector<sobj> &in, Lattice<vobj> &out)
   });
 }
 
-//The workspace for a precision change operation allowing for the reuse of the mapping to save time on subsequent calls
-class precisionChangeWorkspace{
-  std::pair<Integer,Integer>* fmap_device; //device pointer
-public:
-  precisionChangeWorkspace(GridBase *out_grid, GridBase *in_grid){
-    //Build a map between the sites and lanes of the output field and the input field as we cannot use the Grids on the device
-    assert(out_grid->Nd() == in_grid->Nd());
-    for(int d=0;d<out_grid->Nd();d++){
-      assert(out_grid->FullDimensions()[d] == in_grid->FullDimensions()[d]);
-    }
-    int Nsimd_out = out_grid->Nsimd();
-
-    std::vector<Coordinate> out_icorrs(out_grid->Nsimd()); //reuse these
-    for(int lane=0; lane < out_grid->Nsimd(); lane++)
-      out_grid->iCoorFromIindex(out_icorrs[lane], lane);
-  
-    std::vector<std::pair<Integer,Integer> > fmap_host(out_grid->lSites()); //lsites = osites*Nsimd
-    thread_for(out_oidx,out_grid->oSites(),{
-	Coordinate out_ocorr; 
-	out_grid->oCoorFromOindex(out_ocorr, out_oidx);
-      
-	Coordinate lcorr; //the local coordinate (common to both in and out as full coordinate)
-	for(int out_lane=0; out_lane < Nsimd_out; out_lane++){
-	  out_grid->InOutCoorToLocalCoor(out_ocorr, out_icorrs[out_lane], lcorr);
-	
-	  //int in_oidx = in_grid->oIndex(lcorr), in_lane = in_grid->iIndex(lcorr);
-	  //Note oIndex and OcorrFromOindex (and same for iIndex) are not inverse for checkerboarded lattice, the former coordinates being defined on the full lattice and the latter on the reduced lattice
-	  //Until this is fixed we need to circumvent the problem locally. Here I will use the coordinates defined on the reduced lattice for simplicity
-	  int in_oidx = 0, in_lane = 0;
-	  for(int d=0;d<in_grid->_ndimension;d++){
-	    in_oidx += in_grid->_ostride[d] * ( lcorr[d] % in_grid->_rdimensions[d] );
-	    in_lane += in_grid->_istride[d] * ( lcorr[d] / in_grid->_rdimensions[d] );
-	  }
-	  fmap_host[out_lane + Nsimd_out*out_oidx] = std::pair<Integer,Integer>( in_oidx, in_lane );
-	}
-      });
-
-    //Copy the map to the device (if we had a way to tell if an accelerator is in use we could avoid this copy for CPU-only machines)
-    size_t fmap_bytes = out_grid->lSites() * sizeof(std::pair<Integer,Integer>);
-    fmap_device = (std::pair<Integer,Integer>*)acceleratorAllocDevice(fmap_bytes);
-    acceleratorCopyToDevice(fmap_host.data(), fmap_device, fmap_bytes); 
-  }
-
-  //Prevent moving or copying
-  precisionChangeWorkspace(const precisionChangeWorkspace &r) = delete;
-  precisionChangeWorkspace(precisionChangeWorkspace &&r) = delete;
-  precisionChangeWorkspace &operator=(const precisionChangeWorkspace &r) = delete;
-  precisionChangeWorkspace &operator=(precisionChangeWorkspace &&r) = delete;
-  
-  std::pair<Integer,Integer> const* getMap() const{ return fmap_device; }
-
-  ~precisionChangeWorkspace(){
-    acceleratorFreeDevice(fmap_device);
-  }
-};
-
-
-//Convert a lattice of one precision to another. The input workspace contains the mapping data.
-template<class VobjOut, class VobjIn>
-void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in, const precisionChangeWorkspace &workspace){
-  static_assert( std::is_same<typename VobjOut::DoublePrecision, typename VobjIn::DoublePrecision>::value == 1, "copyLane: tensor types must be the same" ); //if tensor types are same the DoublePrecision type must be the same
-
-  out.Checkerboard() = in.Checkerboard();
-  constexpr int Nsimd_out = VobjOut::Nsimd();
-
-  std::pair<Integer,Integer> const* fmap_device = workspace.getMap();
-
-  //Do the copy/precision change
-  autoView( out_v , out, AcceleratorWrite);
-  autoView( in_v , in, AcceleratorRead);
-
-  accelerator_for(out_oidx, out.Grid()->oSites(), 1,{
-      std::pair<Integer,Integer> const* fmap_osite = fmap_device + out_oidx*Nsimd_out;
-      for(int out_lane=0; out_lane < Nsimd_out; out_lane++){      
-	int in_oidx = fmap_osite[out_lane].first;
-	int in_lane = fmap_osite[out_lane].second;
-	copyLane(out_v[out_oidx], out_lane, in_v[in_oidx], in_lane);
-      }
-    });
-}
-
 //Convert a Lattice from one precision to another
-//Generate the workspace in place; if multiple calls with the same mapping are performed, consider pregenerating the workspace and reusing
 template<class VobjOut, class VobjIn>
-void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in){
-  precisionChangeWorkspace workspace(out.Grid(), in.Grid());
-  precisionChange(out, in, workspace);
-}
+void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in)
+{
+  assert(out.Grid()->Nd() == in.Grid()->Nd());
+  for(int d=0;d<out.Grid()->Nd();d++){
+    assert(out.Grid()->FullDimensions()[d] == in.Grid()->FullDimensions()[d]);
+  }
+  out.Checkerboard() = in.Checkerboard();
+  GridBase *in_grid=in.Grid();
+  GridBase *out_grid = out.Grid();
 
+  typedef typename VobjOut::scalar_object SobjOut;
+  typedef typename VobjIn::scalar_object SobjIn;
+
+  int ndim = out.Grid()->Nd();
+  int out_nsimd = out_grid->Nsimd();
+    
+  std::vector<Coordinate > out_icoor(out_nsimd);
+      
+  for(int lane=0; lane < out_nsimd; lane++){
+    out_icoor[lane].resize(ndim);
+    out_grid->iCoorFromIindex(out_icoor[lane], lane);
+  }
+        
+  std::vector<SobjOut> in_slex_conv(in_grid->lSites());
+  unvectorizeToLexOrdArray(in_slex_conv, in);
+    
+  autoView( out_v , out, CpuWrite);
+  thread_for(out_oidx,out_grid->oSites(),{
+    Coordinate out_ocoor(ndim);
+    out_grid->oCoorFromOindex(out_ocoor, out_oidx);
+
+    ExtractPointerArray<SobjOut> ptrs(out_nsimd);      
+
+    Coordinate lcoor(out_grid->Nd());
+      
+    for(int lane=0; lane < out_nsimd; lane++){
+      for(int mu=0;mu<ndim;mu++)
+	lcoor[mu] = out_ocoor[mu] + out_grid->_rdimensions[mu]*out_icoor[lane][mu];
+	
+      int llex; Lexicographic::IndexFromCoor(lcoor, llex, out_grid->_ldimensions);
+      ptrs[lane] = &in_slex_conv[llex];
+    }
+    merge(out_v[out_oidx], ptrs, 0);
+  });
+}
 
 ////////////////////////////////////////////////////////////////////////////////
 // Communicate between grids

Grid/qcd/action/ActionBase.h

@@ -40,6 +40,29 @@ class Action
 
 public:
   bool is_smeared = false;
+  RealD deriv_norm_sum;
+  RealD deriv_max_sum;
+  int   deriv_num;
+  RealD deriv_us;
+  RealD S_us;
+  RealD refresh_us;
+  void  reset_timer(void)        {
+    deriv_us = S_us = refresh_us = 0.0;
+    deriv_num=0;
+    deriv_norm_sum = deriv_max_sum=0.0;
+  }
+  void  deriv_log(RealD nrm, RealD max) { deriv_max_sum+=max; deriv_norm_sum+=nrm; deriv_num++;}
+  RealD deriv_max_average(void)         { return deriv_max_sum/deriv_num; };
+  RealD deriv_norm_average(void)        { return deriv_norm_sum/deriv_num; };
+  RealD deriv_timer(void)        { return deriv_us; };
+  RealD S_timer(void)            { return deriv_us; };
+  RealD refresh_timer(void)      { return deriv_us; };
+  void deriv_timer_start(void)   { deriv_us-=usecond(); }
+  void deriv_timer_stop(void)    { deriv_us+=usecond(); }
+  void refresh_timer_start(void) { refresh_us-=usecond(); }
+  void refresh_timer_stop(void)  { refresh_us+=usecond(); }
+  void S_timer_start(void)       { S_us-=usecond(); }
+  void S_timer_stop(void)        { S_us+=usecond(); }
   // Heatbath?
   virtual void refresh(const GaugeField& U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) = 0; // refresh pseudofermions
   virtual RealD S(const GaugeField& U) = 0;                             // evaluate the action

Grid/qcd/action/ActionCore.h

@@ -37,6 +37,10 @@ NAMESPACE_CHECK(ActionSet);
 #include <Grid/qcd/action/ActionParams.h>
 NAMESPACE_CHECK(ActionParams);
 
+#include <Grid/qcd/action/filters/MomentumFilter.h>
+#include <Grid/qcd/action/filters/DirichletFilter.h>
+#include <Grid/qcd/action/filters/DDHMCFilter.h>
+
 ////////////////////////////////////////////
 // Gauge Actions
 ////////////////////////////////////////////

Grid/qcd/action/ActionParams.h

@@ -36,7 +36,7 @@ NAMESPACE_BEGIN(Grid);
 
 // These can move into a params header and be given MacroMagic serialisation
 struct GparityWilsonImplParams {
-  Coordinate twists; //Here the first Nd-1 directions are treated as "spatial", and a twist value of 1 indicates G-parity BCs in that direction. 
+  Coordinate twists;
                      //mu=Nd-1 is assumed to be the time direction and a twist value of 1 indicates antiperiodic BCs
   GparityWilsonImplParams() : twists(Nd, 0) {};
 };
@@ -64,6 +64,7 @@ struct StaggeredImplParams {
 				    RealD, hi, 
 				    int,   MaxIter, 
 				    RealD, tolerance, 
+				    RealD, mdtolerance, 
 				    int,   degree, 
 				    int,   precision,
 				    int,   BoundsCheckFreq,
@@ -79,18 +80,19 @@ struct StaggeredImplParams {
                            	int _degree    = 10,
 				int _precision = 64,
 				int _BoundsCheckFreq=20,
+				RealD mdtol    = 1.0e-6,
 				double _BoundsCheckTol=1e-6)
       : lo(_lo),
 	hi(_hi),
 	MaxIter(_maxit),
 	tolerance(tol),
+        mdtolerance(mdtol),
 	degree(_degree),
         precision(_precision),
         BoundsCheckFreq(_BoundsCheckFreq),
         BoundsCheckTol(_BoundsCheckTol){};
   };
-
-
+  
   /*Action parameters for the generalized rational action
     The approximation is for (M^dag M)^{1/inv_pow}
     where inv_pow is the denominator of the fractional power.
@@ -133,7 +135,6 @@ struct StaggeredImplParams {
   };
 
 
-  
 NAMESPACE_END(Grid);
 
 #endif

Grid/qcd/action/fermion/CayleyFermion5D.h

@@ -68,7 +68,7 @@ public:
   ///////////////////////////////////////////////////////////////
   // Support for MADWF tricks
   ///////////////////////////////////////////////////////////////
-  RealD Mass(void) { return mass; };
+  virtual RealD Mass(void) { return mass; };
   void  SetMass(RealD _mass) { 
     mass=_mass; 
     SetCoefficientsInternal(_zolo_hi,_gamma,_b,_c);  // Reset coeffs

Grid/qcd/action/fermion/FermionOperator.h

@@ -49,6 +49,8 @@ public:
 
   virtual FermionField &tmp(void) = 0;
 
+  virtual void DirichletBlock(Coordinate & _Block) { assert(0); };
+  
   GridBase * Grid(void)   { return FermionGrid(); };   // this is all the linalg routines need to know
   GridBase * RedBlackGrid(void) { return FermionRedBlackGrid(); };
 

Grid/qcd/action/fermion/WilsonFermion5D.h

@@ -75,6 +75,10 @@ public:
   FermionField _tmp;
   FermionField &tmp(void) { return _tmp; }
 
+  int Dirichlet;
+  Coordinate Block; 
+
+  /********** Deprecate timers **********/
   void Report(void);
   void ZeroCounters(void);
   double DhopCalls;
@@ -173,7 +177,18 @@ public:
 		  GridCartesian         &FourDimGrid,
 		  GridRedBlackCartesian &FourDimRedBlackGrid,
 		  double _M5,const ImplParams &p= ImplParams());
-    
+
+  virtual void DirichletBlock(Coordinate & block)
+  {
+    assert(block.size()==Nd+1);
+    if ( block[0] || block[1] || block[2] || block[3] || block[4] ){
+      Dirichlet = 1;
+      Block = block;
+      Stencil.DirichletBlock(block); 
+      StencilEven.DirichletBlock(block); 
+      StencilOdd.DirichletBlock(block);
+    }
+  }
   // Constructors
   /*
     WilsonFermion5D(int simd, 

Grid/qcd/action/fermion/implementation/WilsonFermion5DImplementation.h

@@ -60,7 +60,8 @@ WilsonFermion5D<Impl>::WilsonFermion5D(GaugeField &_Umu,
   UmuOdd (_FourDimRedBlackGrid),
   Lebesgue(_FourDimGrid),
   LebesgueEvenOdd(_FourDimRedBlackGrid),
-  _tmp(&FiveDimRedBlackGrid)
+  _tmp(&FiveDimRedBlackGrid),
+  Dirichlet(0)
 {
   // some assertions
   assert(FiveDimGrid._ndimension==5);
@@ -218,6 +219,14 @@ void WilsonFermion5D<Impl>::ImportGauge(const GaugeField &_Umu)
 {
   GaugeField HUmu(_Umu.Grid());
   HUmu = _Umu*(-0.5);
+  if ( Dirichlet ) {
+    std::cout << GridLogMessage << " Dirichlet BCs 5d " <<Block<<std::endl;
+    Coordinate GaugeBlock(Nd);
+    for(int d=0;d<Nd;d++) GaugeBlock[d] = Block[d+1];
+    std::cout << GridLogMessage << " Dirichlet BCs 4d " <<GaugeBlock<<std::endl;
+    DirichletFilter<GaugeField> Filter(GaugeBlock);
+    Filter.applyFilter(HUmu);
+  }
   Impl::DoubleStore(GaugeGrid(),Umu,HUmu);
   pickCheckerboard(Even,UmuEven,Umu);
   pickCheckerboard(Odd ,UmuOdd,Umu);

Grid/qcd/action/filters/DDHMCFilter.h

@@ -0,0 +1,102 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/hmc/integrators/DirichletFilter.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 */
+//--------------------------------------------------------------------
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+////////////////////////////////////////////////////
+// DDHMC filter with sub-block size B[mu]
+////////////////////////////////////////////////////
+
+template<typename GaugeField>
+struct DDHMCFilter: public MomentumFilterBase<GaugeField>
+{
+  Coordinate Block;
+  int Width;
+  
+  DDHMCFilter(const Coordinate &_Block,int _Width=2): Block(_Block) { Width=_Width; }
+
+  void applyFilter(GaugeField &U) const override
+  {
+    GridBase *grid = U.Grid();
+    Coordinate Global=grid->GlobalDimensions();
+    GaugeField zzz(grid); zzz = Zero();
+    LatticeInteger coor(grid); 
+    
+    auto zzz_mu = PeekIndex<LorentzIndex>(zzz,0);
+    ////////////////////////////////////////////////////
+    // Zero BDY layers
+    ////////////////////////////////////////////////////
+    std::cout<<GridLogMessage<<" DDHMC Force Filter Block "<<Block<<" width " <<Width<<std::endl;
+    for(int mu=0;mu<Nd;mu++) {
+
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+	LatticeCoordinate(coor,mu);
+
+	////////////////////////////////
+	// OmegaBar - zero all links contained in slice B-1,0 and
+	// mu links connecting to Omega
+	////////////////////////////////
+	if ( Width==1) { 
+	  U    = where(mod(coor,B1)==Integer(B1-1),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(0)   ,zzz,U); 
+	  auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	  U_mu = where(mod(coor,B1)==Integer(B1-2),zzz_mu,U_mu); 
+	  PokeIndex<LorentzIndex>(U, U_mu, mu);
+	}
+	if ( Width==2) { 
+	  U    = where(mod(coor,B1)==Integer(B1-2),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(B1-1),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(0)   ,zzz,U); 
+	  U    = where(mod(coor,B1)==Integer(1)   ,zzz,U); 
+	  auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	  U_mu = where(mod(coor,B1)==Integer(B1-3),zzz_mu,U_mu); 
+	  PokeIndex<LorentzIndex>(U, U_mu, mu);
+	}
+	if ( Width==3) { 
+	  U    = where(mod(coor,B1)==Integer(B1-3),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(B1-2),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(B1-1),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(0)   ,zzz,U); 
+	  U    = where(mod(coor,B1)==Integer(1)   ,zzz,U); 
+	  U    = where(mod(coor,B1)==Integer(2)   ,zzz,U); 
+	  auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	  U_mu = where(mod(coor,B1)==Integer(B1-4),zzz_mu,U_mu); 
+	  PokeIndex<LorentzIndex>(U, U_mu, mu);
+	}
+      }
+
+    }
+   
+  }
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/filters/DirichletFilter.h

@@ -0,0 +1,71 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/hmc/integrators/DirichletFilter.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 */
+//--------------------------------------------------------------------
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+template<typename MomentaField>
+struct DirichletFilter: public MomentumFilterBase<MomentaField>
+{
+  typedef typename MomentaField::vector_type vector_type; //SIMD-vectorized complex type
+  typedef typename MomentaField::scalar_type scalar_type; //scalar complex type
+
+  typedef iScalar<iScalar<iScalar<vector_type> > >            ScalarType; //complex phase for each site
+  
+  Coordinate Block;
+  
+  DirichletFilter(const Coordinate &_Block): Block(_Block){}
+
+  void applyFilter(MomentaField &P) const override
+  {
+    GridBase *grid = P.Grid();
+    typedef decltype(PeekIndex<LorentzIndex>(P, 0)) LatCM;
+    ////////////////////////////////////////////////////
+    // Zero strictly links crossing between domains
+    ////////////////////////////////////////////////////
+    LatticeInteger coor(grid); 
+    LatCM zz(grid); zz = Zero();
+    for(int mu=0;mu<Nd;mu++) {
+      if ( (Block[mu]) && (Block[mu] < grid->GlobalDimensions()[mu] ) ) {
+	// If costly could provide Grid earlier and precompute masks
+	std::cout << " Dirichlet in mu="<<mu<<std::endl;
+	LatticeCoordinate(coor,mu);
+	auto P_mu = PeekIndex<LorentzIndex>(P, mu);
+	P_mu = where(mod(coor,Block[mu])==Integer(Block[mu]-1),zz,P_mu);
+	PokeIndex<LorentzIndex>(P, P_mu, mu);
+      }
+    }
+  }
+};
+
+
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/filters/MomentumFilter.h

@@ -37,7 +37,7 @@ NAMESPACE_BEGIN(Grid);
 
 template<typename MomentaField>
 struct MomentumFilterBase{
-  virtual void applyFilter(MomentaField &P) const;
+  virtual void applyFilter(MomentaField &P) const = 0;
 };
 
 //Do nothing

Grid/qcd/action/pseudofermion/Bounds.h

@@ -13,6 +13,31 @@ NAMESPACE_BEGIN(Grid);
       std::cout << GridLogMessage << "Pseudofermion action lamda_max "<<lambda_max<<"( bound "<<hi<<")"<<std::endl;
       assert( (lambda_max < hi) && " High Bounds Check on operator failed" );
     }
+
+     template<class Field> void ChebyBoundsCheck(LinearOperatorBase<Field> &HermOp,
+						 Field &GaussNoise,
+						 RealD lo,RealD hi) 
+    {
+      int orderfilter = 1000;
+      Chebyshev<Field> Cheb(lo,hi,orderfilter);
+
+      GridBase *FermionGrid = GaussNoise.Grid();
+
+      Field X(FermionGrid);
+      Field Z(FermionGrid);
+
+      X=GaussNoise;
+      RealD Nx = norm2(X);
+      Cheb(HermOp,X,Z);
+      RealD Nz = norm2(Z);
+
+      std::cout << "************************* "<<std::endl;
+      std::cout << " noise                    = "<<Nx<<std::endl;
+      std::cout << " Cheb x noise             = "<<Nz<<std::endl;
+      std::cout << " Ratio                    = "<<Nz/Nx<<std::endl;
+      std::cout << "************************* "<<std::endl;
+      assert( ((Nz/Nx)<1.0) && " ChebyBoundsCheck ");
+    }
       
     template<class Field> void InverseSqrtBoundsCheck(int MaxIter,double tol,
 						       LinearOperatorBase<Field> &HermOp,
@@ -100,6 +125,5 @@ NAMESPACE_BEGIN(Grid);
       assert( (std::sqrt(Nd/Nx)<tol) && " InversePowerBoundsCheck ");
     }
 
-
 NAMESPACE_END(Grid);
 

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion.h

@@ -0,0 +1,163 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/DomainDecomposedTwoFlavourBoundaryBoson.h
+
+    Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class ImplD,class ImplF>
+class DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion : public Action<typename ImplD::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(ImplD);
+
+private:
+  SchurFactoredFermionOperator<ImplD,ImplF> & NumOp;// the basic operator
+  RealD InnerStoppingCondition;
+  RealD ActionStoppingCondition;
+  RealD DerivativeStoppingCondition;
+  FermionField Phi; // the pseudo fermion field for this trajectory
+public:
+  DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion(SchurFactoredFermionOperator<ImplD,ImplF>  &_NumOp,RealD _DerivativeTol, RealD _ActionTol, RealD _InnerTol=1.0e-6)
+    : NumOp(_NumOp), 
+      DerivativeStoppingCondition(_DerivativeTol),
+      ActionStoppingCondition(_ActionTol),
+      InnerStoppingCondition(_InnerTol),
+      Phi(_NumOp.FermionGrid()) {};
+
+  virtual std::string action_name(){return "DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion";}
+
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    return sstream.str();
+  }  
+  
+  virtual void refresh(const GaugeField &U, GridSerialRNG& sRNG, GridParallelRNG& pRNG)
+  {
+    // P(phi) = e^{- phi^dag P^dag P phi}
+    //
+    // NumOp == P
+    //
+    // Take phi = P^{-1} eta  ; eta = P Phi
+    //
+    // P(eta) = e^{- eta^dag eta}
+    //
+    // e^{x^2/2 sig^2} => sig^2 = 0.5.
+    // 
+    // So eta should be of width sig = 1/sqrt(2) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    NumOp.tolinner=InnerStoppingCondition;
+    NumOp.tol=ActionStoppingCondition;
+    NumOp.ImportGauge(U);
+
+    FermionField eta(NumOp.FermionGrid());
+
+    gaussian(pRNG,eta);    eta=eta*scale;
+    
+    NumOp.ProjectBoundaryBar(eta);
+    //DumpSliceNorm("eta",eta);
+    NumOp.RInv(eta,Phi);
+
+    //DumpSliceNorm("Phi",Phi);
+
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag Pdag P phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    NumOp.tolinner=InnerStoppingCondition;
+    NumOp.tol=ActionStoppingCondition;
+    NumOp.ImportGauge(U);
+
+    FermionField Y(NumOp.FermionGrid());
+
+    NumOp.R(Phi,Y);
+
+    RealD action = norm2(Y);
+
+    return action;
+  };
+
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU)
+  {
+    NumOp.tolinner=InnerStoppingCondition;
+    NumOp.tol=DerivativeStoppingCondition;
+    NumOp.ImportGauge(U);
+
+    GridBase *fgrid = NumOp.FermionGrid();
+    GridBase *ugrid = NumOp.GaugeGrid();
+
+    FermionField  X(fgrid);
+    FermionField  Y(fgrid);
+    FermionField  tmp(fgrid);
+
+    GaugeField   force(ugrid);	
+
+    FermionField DobiDdbPhi(fgrid);      // Vector A in my notes
+    FermionField DoiDdDobiDdbPhi(fgrid); // Vector B in my notes
+    FermionField DoidP_Phi(fgrid);    // Vector E in my notes
+    FermionField DobidDddDoidP_Phi(fgrid);    // Vector F in my notes
+    
+    FermionField P_Phi(fgrid);
+    
+    // P term
+    NumOp.dBoundaryBar(Phi,tmp);
+    NumOp.dOmegaBarInv(tmp,DobiDdbPhi);        // Vector A
+    NumOp.dBoundary(DobiDdbPhi,tmp);
+    NumOp.dOmegaInv(tmp,DoiDdDobiDdbPhi);      // Vector B
+    P_Phi  = Phi - DoiDdDobiDdbPhi;
+    NumOp.ProjectBoundaryBar(P_Phi);
+    
+    // P^dag P term
+    NumOp.dOmegaDagInv(P_Phi,DoidP_Phi); // Vector E
+    NumOp.dBoundaryDag(DoidP_Phi,tmp);
+    NumOp.dOmegaBarDagInv(tmp,DobidDddDoidP_Phi);   // Vector F
+    NumOp.dBoundaryBarDag(DobidDddDoidP_Phi,tmp);
+
+    X = DobiDdbPhi;
+    Y = DobidDddDoidP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    X = DoiDdDobiDdbPhi;
+    Y = DoidP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    dSdU *= -1.0;
+
+  };
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourPseudoFermion.h

@@ -0,0 +1,158 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/DomainDecomposedTwoFlavourBoundary.h
+
+    Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class ImplD,class ImplF>
+class DomainDecomposedBoundaryTwoFlavourPseudoFermion : public Action<typename ImplD::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(ImplD);
+
+private:
+  SchurFactoredFermionOperator<ImplD,ImplF> & DenOp;// the basic operator
+  RealD ActionStoppingCondition;
+  RealD DerivativeStoppingCondition;
+  RealD InnerStoppingCondition;
+
+  FermionField Phi; // the pseudo fermion field for this trajectory
+
+  RealD refresh_action;
+public:
+  DomainDecomposedBoundaryTwoFlavourPseudoFermion(SchurFactoredFermionOperator<ImplD,ImplF>  &_DenOp,RealD _DerivativeTol, RealD _ActionTol, RealD _InnerTol = 1.0e-6 )
+    : DenOp(_DenOp),
+      DerivativeStoppingCondition(_DerivativeTol),
+      ActionStoppingCondition(_ActionTol),
+      InnerStoppingCondition(_InnerTol),
+      Phi(_DenOp.FermionGrid()) {};
+      
+  virtual std::string action_name(){return "DomainDecomposedBoundaryTwoFlavourPseudoFermion";}
+
+ 
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    return sstream.str();
+  }  
+  
+  virtual void refresh(const GaugeField &U, GridSerialRNG& sRNG, GridParallelRNG& pRNG)
+  {
+    // P(phi) = e^{- phi^dag Rdag^-1 R^-1 phi}
+    //
+    // DenOp == R
+    //
+    // Take phi = R eta  ; eta = R^-1 Phi
+    //
+    // P(eta) = e^{- eta^dag eta}
+    //
+    // e^{x^2/2 sig^2} => sig^2 = 0.5.
+    // 
+    // So eta should be of width sig = 1/sqrt(2) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol     =ActionStoppingCondition;
+    DenOp.ImportGauge(U);
+
+    FermionField eta(DenOp.FermionGrid());
+
+    gaussian(pRNG,eta);    eta=eta*scale;
+    
+    DenOp.ProjectBoundaryBar(eta);
+    DenOp.R(eta,Phi);
+    //DumpSliceNorm("Phi",Phi);
+    refresh_action = norm2(eta);
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag Rdag^-1 R^-1 phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol=ActionStoppingCondition;
+    DenOp.ImportGauge(U);
+
+    FermionField X(DenOp.FermionGrid());
+
+    DenOp.RInv(Phi,X);
+
+    RealD action = norm2(X);
+
+    return action;
+  };
+
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU)
+  {
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol=DerivativeStoppingCondition;
+    DenOp.ImportGauge(U);
+
+    GridBase *fgrid = DenOp.FermionGrid();
+    GridBase *ugrid = DenOp.GaugeGrid();
+
+    FermionField  X(fgrid);
+    FermionField  Y(fgrid);
+    FermionField  tmp(fgrid);
+
+    GaugeField   force(ugrid);	
+
+    FermionField DiDdb_Phi(fgrid);      // Vector C in my notes
+    FermionField DidRinv_Phi(fgrid);    // Vector D in my notes
+    FermionField Rinv_Phi(fgrid);
+
+//   FermionField RinvDagRinv_Phi(fgrid);
+//   FermionField DdbdDidRinv_Phi(fgrid);
+
+    // R^-1 term
+    DenOp.dBoundaryBar(Phi,tmp);
+    DenOp.Dinverse(tmp,DiDdb_Phi);            // Vector C
+    Rinv_Phi = Phi - DiDdb_Phi;
+    DenOp.ProjectBoundaryBar(Rinv_Phi); 
+ 
+    // R^-dagger R^-1 term
+    DenOp.DinverseDag(Rinv_Phi,DidRinv_Phi); // Vector D
+/*
+    DenOp.dBoundaryBarDag(DidRinv_Phi,DdbdDidRinv_Phi);
+    RinvDagRinv_Phi = Rinv_Phi - DdbdDidRinv_Phi;
+    DenOp.ProjectBoundaryBar(RinvDagRinv_Phi);
+*/
+    X = DiDdb_Phi;
+    Y = DidRinv_Phi;
+    DenOp.PeriodicFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=force;
+    DenOp.PeriodicFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+    DumpSliceNorm("force",dSdU);
+    dSdU *= -1.0;
+  };
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion.h

@@ -0,0 +1,237 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/DomainDecomposedTwoFlavourBoundary.h
+
+    Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class ImplD,class ImplF>
+class DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion : public Action<typename ImplD::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(ImplD);
+
+private:
+  SchurFactoredFermionOperator<ImplD,ImplF> & NumOp;// the basic operator
+  SchurFactoredFermionOperator<ImplD,ImplF> & DenOp;// the basic operator
+
+  RealD InnerStoppingCondition;
+  RealD ActionStoppingCondition;
+  RealD DerivativeStoppingCondition;
+  
+  FermionField Phi; // the pseudo fermion field for this trajectory
+
+public:
+  DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion(SchurFactoredFermionOperator<ImplD,ImplF>  &_NumOp, 
+						       SchurFactoredFermionOperator<ImplD,ImplF>  &_DenOp,
+						       RealD _DerivativeTol, RealD _ActionTol, RealD _InnerTol=1.0e-6)
+    : NumOp(_NumOp), DenOp(_DenOp),
+      Phi(_NumOp.PeriodicFermOpD.FermionGrid()),
+      InnerStoppingCondition(_InnerTol),
+      DerivativeStoppingCondition(_DerivativeTol),
+      ActionStoppingCondition(_ActionTol)
+  {};
+      
+  virtual std::string action_name(){return "DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion";}
+ 
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    return sstream.str();
+  }  
+  
+  virtual void refresh(const GaugeField &U, GridSerialRNG& sRNG, GridParallelRNG& pRNG)
+  {
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField eta(NumOp.PeriodicFermOpD.FermionGrid());
+    FermionField tmp(NumOp.PeriodicFermOpD.FermionGrid());
+
+    // P(phi) = e^{- phi^dag P^dag Rdag^-1 R^-1 P phi}
+    //
+    // NumOp == P
+    // DenOp == R
+    //
+    // Take phi = P^{-1} R eta  ; eta = R^-1 P Phi
+    //
+    // P(eta) = e^{- eta^dag eta}
+    //
+    // e^{x^2/2 sig^2} => sig^2 = 0.5.
+    // 
+    // So eta should be of width sig = 1/sqrt(2) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    gaussian(pRNG,eta);    eta=eta*scale;
+    
+    NumOp.ProjectBoundaryBar(eta);
+    NumOp.tolinner=InnerStoppingCondition;
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol = ActionStoppingCondition;
+    NumOp.tol = ActionStoppingCondition;
+    DenOp.R(eta,tmp);
+    NumOp.RInv(tmp,Phi);
+    DumpSliceNorm("Phi",Phi);
+
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag Pdag Rdag^-1 R^-1 P phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField X(NumOp.PeriodicFermOpD.FermionGrid());
+    FermionField Y(NumOp.PeriodicFermOpD.FermionGrid());
+
+    NumOp.tolinner=InnerStoppingCondition;
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol = ActionStoppingCondition;
+    NumOp.tol = ActionStoppingCondition;
+    NumOp.R(Phi,Y);
+    DenOp.RInv(Y,X);
+
+    RealD action = norm2(X);
+    //    std::cout << " DD boundary action is " <<action<<std::endl;
+
+    return action;
+  };
+
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU)
+  {
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    GridBase *fgrid = NumOp.PeriodicFermOpD.FermionGrid();
+    GridBase *ugrid = NumOp.PeriodicFermOpD.GaugeGrid();
+
+    FermionField  X(fgrid);
+    FermionField  Y(fgrid);
+    FermionField  tmp(fgrid);
+
+    GaugeField   force(ugrid);	
+
+    FermionField DobiDdbPhi(fgrid);      // Vector A in my notes
+    FermionField DoiDdDobiDdbPhi(fgrid); // Vector B in my notes
+    FermionField DiDdbP_Phi(fgrid);      // Vector C in my notes
+    FermionField DidRinvP_Phi(fgrid);    // Vector D in my notes
+    FermionField DdbdDidRinvP_Phi(fgrid);
+    FermionField DoidRinvDagRinvP_Phi(fgrid);    // Vector E in my notes
+    FermionField DobidDddDoidRinvDagRinvP_Phi(fgrid);    // Vector F in my notes
+    
+    FermionField P_Phi(fgrid);
+    FermionField RinvP_Phi(fgrid);
+    FermionField RinvDagRinvP_Phi(fgrid);
+    FermionField PdagRinvDagRinvP_Phi(fgrid);
+
+    //    RealD action = S(U);
+    NumOp.tolinner=InnerStoppingCondition;
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol = DerivativeStoppingCondition;
+    NumOp.tol = DerivativeStoppingCondition;
+    
+    // P term
+    NumOp.dBoundaryBar(Phi,tmp);
+    NumOp.dOmegaBarInv(tmp,DobiDdbPhi);        // Vector A
+    NumOp.dBoundary(DobiDdbPhi,tmp);
+    NumOp.dOmegaInv(tmp,DoiDdDobiDdbPhi);      // Vector B
+    P_Phi  = Phi - DoiDdDobiDdbPhi;
+    NumOp.ProjectBoundaryBar(P_Phi);
+
+    // R^-1 P term
+    DenOp.dBoundaryBar(P_Phi,tmp);
+    DenOp.Dinverse(tmp,DiDdbP_Phi);            // Vector C
+    RinvP_Phi = P_Phi - DiDdbP_Phi;
+    DenOp.ProjectBoundaryBar(RinvP_Phi); // Correct to here
+
+ 
+    // R^-dagger R^-1 P term
+    DenOp.DinverseDag(RinvP_Phi,DidRinvP_Phi); // Vector D
+    DenOp.dBoundaryBarDag(DidRinvP_Phi,DdbdDidRinvP_Phi);
+    RinvDagRinvP_Phi = RinvP_Phi - DdbdDidRinvP_Phi;
+    DenOp.ProjectBoundaryBar(RinvDagRinvP_Phi);
+
+    
+    // P^dag R^-dagger R^-1 P term
+    NumOp.dOmegaDagInv(RinvDagRinvP_Phi,DoidRinvDagRinvP_Phi); // Vector E
+    NumOp.dBoundaryDag(DoidRinvDagRinvP_Phi,tmp);
+    NumOp.dOmegaBarDagInv(tmp,DobidDddDoidRinvDagRinvP_Phi);   // Vector F
+    NumOp.dBoundaryBarDag(DobidDddDoidRinvDagRinvP_Phi,tmp);
+    PdagRinvDagRinvP_Phi = RinvDagRinvP_Phi- tmp;
+    NumOp.ProjectBoundaryBar(PdagRinvDagRinvP_Phi);
+
+    /*
+    std::cout << "S eval  "<< action << std::endl;
+    std::cout << "S - IP1 "<< innerProduct(Phi,PdagRinvDagRinvP_Phi) << std::endl;
+    std::cout << "S - IP2 "<< norm2(RinvP_Phi) << std::endl;
+
+    NumOp.R(Phi,tmp);
+    tmp = tmp - P_Phi;
+    std::cout << "diff1 "<<norm2(tmp) <<std::endl;
+    
+    
+    DenOp.RInv(P_Phi,tmp);
+    tmp = tmp - RinvP_Phi;
+    std::cout << "diff2 "<<norm2(tmp) <<std::endl;
+
+    DenOp.RDagInv(RinvP_Phi,tmp);
+    tmp  = tmp - RinvDagRinvP_Phi;
+    std::cout << "diff3 "<<norm2(tmp) <<std::endl;
+
+    DenOp.RDag(RinvDagRinvP_Phi,tmp);
+    tmp  = tmp - PdagRinvDagRinvP_Phi;
+    std::cout << "diff4 "<<norm2(tmp) <<std::endl;
+    */
+    
+    dSdU=Zero();
+
+    X = DobiDdbPhi;
+    Y = DobidDddDoidRinvDagRinvP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    X = DoiDdDobiDdbPhi;
+    Y = DoidRinvDagRinvP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    X = DiDdbP_Phi;
+    Y = DidRinvP_Phi;
+    DenOp.PeriodicFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    DenOp.PeriodicFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    dSdU *= -1.0;
+
+  };
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/pseudofermion/ExactOneFlavourRatio.h

@@ -196,7 +196,6 @@ NAMESPACE_BEGIN(Grid);
         for(int k=0; k<param.degree; ++k){
           gamma_l = 1.0 / ( 1.0 + PowerNegHalf.poles[k] );
           heatbathRefreshShiftCoefficients(0, -gamma_l);
-	  //Lop.RefreshShiftCoefficients(-gamma_l);
           if(use_heatbath_forecasting){ // Forecast CG guess using solutions from previous poles
             Lop.Mdag(CG_src, Forecast_src);
             CG_soln = Forecast(Lop, Forecast_src, prev_solns);
@@ -224,7 +223,6 @@ NAMESPACE_BEGIN(Grid);
         for(int k=0; k<param.degree; ++k){
           gamma_l = 1.0 / ( 1.0 + PowerNegHalf.poles[k] );
 	  heatbathRefreshShiftCoefficients(1, -gamma_l*PowerNegHalf.poles[k]);
-          //Rop.RefreshShiftCoefficients(-gamma_l*PowerNegHalf.poles[k]);
           if(use_heatbath_forecasting){
             Rop.Mdag(CG_src, Forecast_src);
             CG_soln = Forecast(Rop, Forecast_src, prev_solns);
@@ -242,8 +240,6 @@ NAMESPACE_BEGIN(Grid);
         Phi = Phi + tmp[1];
 
         // Reset shift coefficients for energy and force evals
-        //Lop.RefreshShiftCoefficients(0.0);
-        //Rop.RefreshShiftCoefficients(-1.0);
 	heatbathRefreshShiftCoefficients(0, 0.0);
 	heatbathRefreshShiftCoefficients(1, -1.0);
 

Grid/qcd/action/pseudofermion/OneFlavourRationalRatio.h

@@ -49,10 +49,12 @@ NAMESPACE_BEGIN(Grid);
       Params param;
 
       MultiShiftFunction PowerHalf   ;
-      MultiShiftFunction PowerNegHalf;
       MultiShiftFunction PowerQuarter;
+      MultiShiftFunction PowerNegHalf;
       MultiShiftFunction PowerNegQuarter;
 
+      MultiShiftFunction MDPowerQuarter;
+      MultiShiftFunction MDPowerNegHalf;
     private:
      
       FermionOperator<Impl> & NumOp;// the basic operator
@@ -79,6 +81,10 @@ NAMESPACE_BEGIN(Grid);
 	remez.generateApprox(param.degree,1,4);
    	PowerQuarter.Init(remez,param.tolerance,false);
 	PowerNegQuarter.Init(remez,param.tolerance,true);
+
+	// Derive solves different tol
+   	MDPowerQuarter.Init(remez,param.mdtolerance,false);
+	MDPowerNegHalf.Init(remez,param.mdtolerance,true);
       };
 
       virtual std::string action_name(){return "OneFlavourRatioRationalPseudoFermionAction";}
@@ -204,8 +210,8 @@ NAMESPACE_BEGIN(Grid);
 
       virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
 
-	const int n_f  = PowerNegHalf.poles.size();
-	const int n_pv = PowerQuarter.poles.size();
+	const int n_f  = MDPowerNegHalf.poles.size();
+	const int n_pv = MDPowerQuarter.poles.size();
 
 	std::vector<FermionField> MpvPhi_k     (n_pv,NumOp.FermionGrid());
 	std::vector<FermionField> MpvMfMpvPhi_k(n_pv,NumOp.FermionGrid());
@@ -224,8 +230,8 @@ NAMESPACE_BEGIN(Grid);
 	MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagM(DenOp);
 	MdagMLinearOperator<FermionOperator<Impl> ,FermionField> VdagV(NumOp);
 
-	ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerQuarter);
-	ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerNegHalf);
+	ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,MDPowerQuarter);
+	ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,MDPowerNegHalf);
 
 	msCG_V(VdagV,Phi,MpvPhi_k,MpvPhi);
 	msCG_M(MdagM,MpvPhi,MfMpvPhi_k,MfMpvPhi);
@@ -244,7 +250,7 @@ NAMESPACE_BEGIN(Grid);
 
 	//(1)
 	for(int k=0;k<n_f;k++){
-	  ak = PowerNegHalf.residues[k];
+	  ak = MDPowerNegHalf.residues[k];
 	  DenOp.M(MfMpvPhi_k[k],Y);
 	  DenOp.MDeriv(tmp , MfMpvPhi_k[k], Y,DaggerYes );  dSdU=dSdU+ak*tmp;
 	  DenOp.MDeriv(tmp , Y, MfMpvPhi_k[k], DaggerNo );  dSdU=dSdU+ak*tmp;
@@ -254,7 +260,7 @@ NAMESPACE_BEGIN(Grid);
 	//(3)
 	for(int k=0;k<n_pv;k++){
 
-          ak = PowerQuarter.residues[k];
+          ak = MDPowerQuarter.residues[k];
 	  
 	  NumOp.M(MpvPhi_k[k],Y);
 	  NumOp.MDeriv(tmp,MpvMfMpvPhi_k[k],Y,DaggerYes); dSdU=dSdU+ak*tmp;

Grid/qcd/action/pseudofermion/TwoFlavourEvenOddRatio.h

@@ -75,15 +75,19 @@ NAMESPACE_BEGIN(Grid);
           conformable(_NumOp.GaugeRedBlackGrid(), _DenOp.GaugeRedBlackGrid());
         };
 
-      virtual std::string action_name(){return "TwoFlavourEvenOddRatioPseudoFermionAction";}
+      virtual std::string action_name(){
+	std::stringstream sstream;
+	sstream<<"TwoFlavourEvenOddRatioPseudoFermionAction det("<<DenOp.Mass()<<") / det("<<NumOp.Mass()<<")";
+	return sstream.str();
+      }
 
       virtual std::string LogParameters(){
 	std::stringstream sstream;
-	sstream << GridLogMessage << "["<<action_name()<<"] has no parameters" << std::endl;
+	sstream<< GridLogMessage << "["<<action_name()<<"] -- No further parameters "<<std::endl;
 	return sstream.str();
       } 
 
-      //Access the fermion field
+      
       const FermionField &getPhiOdd() const{ return PhiOdd; }
 
       virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
@@ -98,14 +102,14 @@ NAMESPACE_BEGIN(Grid);
 
 	refresh(U,eta);
       }
-	
+
       void refresh(const GaugeField &U, const FermionField &eta) {
+
         // P(phi) = e^{- phi^dag Vpc (MpcdagMpc)^-1 Vpcdag phi}
         //
         // NumOp == V
         // DenOp == M
         //
-        // Take phi_o = Vpcdag^{-1} Mpcdag eta_o  ; eta_o = Mpcdag^{-1} Vpcdag Phi
         FermionField etaOdd (NumOp.FermionRedBlackGrid());
         FermionField etaEven(NumOp.FermionRedBlackGrid());
         FermionField tmp    (NumOp.FermionRedBlackGrid());
@@ -128,10 +132,6 @@ NAMESPACE_BEGIN(Grid);
         // Even det factors
         DenOp.MooeeDag(etaEven,tmp);
         NumOp.MooeeInvDag(tmp,PhiEven);
-
-        //PhiOdd =PhiOdd*scale;
-        //PhiEven=PhiEven*scale;
-        
       };
 
       //////////////////////////////////////////////////////

Grid/qcd/action/pseudofermion/TwoFlavourRatioEO4DPseudoFermion.h

@@ -0,0 +1,203 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/TwoFlavourRatio.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class Impl>
+class TwoFlavourRatioEO4DPseudoFermionAction : public Action<typename Impl::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(Impl);
+
+private:
+  typedef FermionOperator<Impl> FermOp;
+  FermionOperator<Impl> & NumOp;// the basic operator
+  FermionOperator<Impl> & DenOp;// the basic operator
+
+  OperatorFunction<FermionField> &DerivativeSolver;
+  OperatorFunction<FermionField> &DerivativeDagSolver;
+  OperatorFunction<FermionField> &ActionSolver;
+  OperatorFunction<FermionField> &HeatbathSolver;
+
+  FermionField phi4; // the pseudo fermion field for this trajectory
+
+public:
+  TwoFlavourRatioEO4DPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+					 FermionOperator<Impl>  &_DenOp, 
+					 OperatorFunction<FermionField> & DS,
+					 OperatorFunction<FermionField> & AS ) : 
+    TwoFlavourRatioEO4DPseudoFermionAction(_NumOp,_DenOp, DS,DS,AS,AS) {};
+  TwoFlavourRatioEO4DPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+					 FermionOperator<Impl>  &_DenOp, 
+					 OperatorFunction<FermionField> & DS,
+					 OperatorFunction<FermionField> & DDS,
+					 OperatorFunction<FermionField> & AS,
+					 OperatorFunction<FermionField> & HS
+				       ) : NumOp(_NumOp),
+					   DenOp(_DenOp),
+					   DerivativeSolver(DS),
+					   DerivativeDagSolver(DDS),
+					   ActionSolver(AS),
+					   HeatbathSolver(HS),
+					   phi4(_NumOp.GaugeGrid())
+  {};
+      
+  virtual std::string action_name(){return "TwoFlavourRatioEO4DPseudoFermionAction";}
+
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    sstream << GridLogMessage << "["<<action_name()<<"] has no parameters" << std::endl;
+    return sstream.str();
+  }  
+      
+  virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
+
+    // P(phi) = e^{- phi^dag (V^dag M^-dag)_11  (M^-1 V)_11 phi}
+    //
+    // NumOp == V
+    // DenOp == M
+    //
+    // Take phi = (V^{-1} M)_11 eta  ; eta = (M^{-1} V)_11 Phi
+    //
+    // P(eta) = e^{- eta^dag eta}
+    //
+    // e^{x^2/2 sig^2} => sig^2 = 0.5.
+    // 
+    // So eta should be of width sig = 1/sqrt(2) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    FermionField eta4(NumOp.GaugeGrid());
+    FermionField eta5(NumOp.FermionGrid());
+    FermionField tmp(NumOp.FermionGrid());
+    FermionField phi5(NumOp.FermionGrid());
+
+    gaussian(pRNG,eta4);
+    NumOp.ImportFourDimPseudoFermion(eta4,eta5);
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    SchurRedBlackDiagMooeeSolve<FermionField> PrecSolve(HeatbathSolver);
+
+    DenOp.M(eta5,tmp);               // M eta
+    PrecSolve(NumOp,tmp,phi5);  // phi = V^-1 M eta
+    phi5=phi5*scale;
+    std::cout << GridLogMessage << "4d pf refresh "<< norm2(phi5)<<"\n";
+    // Project to 4d
+    NumOp.ExportFourDimPseudoFermion(phi5,phi4);
+      
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag (V^dag M^-dag)_11  (M^-1 V)_11 phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField Y4(NumOp.GaugeGrid());
+    FermionField X(NumOp.FermionGrid());
+    FermionField Y(NumOp.FermionGrid());
+    FermionField phi5(NumOp.FermionGrid());
+	
+    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagMOp(DenOp);
+    SchurRedBlackDiagMooeeSolve<FermionField> PrecSolve(ActionSolver);
+
+    NumOp.ImportFourDimPseudoFermion(phi4,phi5);
+    NumOp.M(phi5,X);              // X= V phi
+    PrecSolve(DenOp,X,Y);    // Y= (MdagM)^-1 Mdag Vdag phi = M^-1 V phi
+    NumOp.ExportFourDimPseudoFermion(Y,Y4);
+
+    RealD action = norm2(Y4);
+
+    return action;
+  };
+
+  //////////////////////////////////////////////////////
+  // dS/du = 2 Re phi^dag (V^dag M^-dag)_11  (M^-1 d V)_11  phi
+  //       - 2 Re phi^dag (dV^dag M^-dag)_11  (M^-1 dM M^-1 V)_11  phi
+  //////////////////////////////////////////////////////
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField  X(NumOp.FermionGrid());
+    FermionField  Y(NumOp.FermionGrid());
+    FermionField       phi(NumOp.FermionGrid());
+    FermionField      Vphi(NumOp.FermionGrid());
+    FermionField  MinvVphi(NumOp.FermionGrid());
+    FermionField      tmp4(NumOp.GaugeGrid());
+    FermionField  MdagInvMinvVphi(NumOp.FermionGrid());
+
+    GaugeField   force(NumOp.GaugeGrid());	
+
+    //Y=V phi
+    //X = (Mdag V phi
+    //Y = (Mdag M)^-1 Mdag V phi = M^-1 V Phi
+    NumOp.ImportFourDimPseudoFermion(phi4,phi);
+    NumOp.M(phi,Vphi);               //  V phi
+    SchurRedBlackDiagMooeeSolve<FermionField> PrecSolve(DerivativeSolver);
+    PrecSolve(DenOp,Vphi,MinvVphi);// M^-1 V phi
+    std::cout << GridLogMessage << "4d deriv solve "<< norm2(MinvVphi)<<"\n";
+
+    // Projects onto the physical space and back
+    NumOp.ExportFourDimPseudoFermion(MinvVphi,tmp4);
+    NumOp.ImportFourDimPseudoFermion(tmp4,Y);
+
+    SchurRedBlackDiagMooeeDagSolve<FermionField> PrecDagSolve(DerivativeDagSolver);
+    // X = proj M^-dag V phi
+    // Need an adjoint solve
+    PrecDagSolve(DenOp,Y,MdagInvMinvVphi);
+    std::cout << GridLogMessage << "4d deriv solve dag "<< norm2(MdagInvMinvVphi)<<"\n";
+    
+    // phi^dag (Vdag Mdag^-1) (M^-1 dV)  phi
+    NumOp.MDeriv(force ,MdagInvMinvVphi , phi, DaggerNo );  dSdU=force;
+  
+    // phi^dag (dVdag Mdag^-1) (M^-1 V)  phi
+    NumOp.MDeriv(force , phi, MdagInvMinvVphi ,DaggerYes  );  dSdU=dSdU+force;
+
+    //    - 2 Re phi^dag (dV^dag M^-dag)_11  (M^-1 dM M^-1 V)_11  phi
+    DenOp.MDeriv(force,MdagInvMinvVphi,MinvVphi,DaggerNo);   dSdU=dSdU-force;
+    DenOp.MDeriv(force,MinvVphi,MdagInvMinvVphi,DaggerYes);  dSdU=dSdU-force;
+
+    dSdU *= -1.0; 
+    //dSdU = - Ta(dSdU);
+    
+  };
+};
+
+NAMESPACE_END(Grid);
+
+

Grid/qcd/hmc/GenericHMCrunner.h

@@ -186,6 +186,9 @@ private:
     typedef IntegratorType<SmearingPolicy> TheIntegrator;
     TheIntegrator MDynamics(UGrid, Parameters.MD, TheAction, Smearing);
 
+    // Sets the momentum filter
+    MDynamics.setMomentumFilter(*(Resources.GetMomentumFilter()));
+
     Smearing.set_Field(U);
 
     HybridMonteCarlo<TheIntegrator> HMC(Parameters, MDynamics,

Grid/qcd/hmc/HMC.h

@@ -34,6 +34,7 @@ directory
 			    * @brief Classes for Hybrid Monte Carlo update
 			    *
 			    * @author Guido Cossu
+			    * @author Peter Boyle
 			    */
 			   //--------------------------------------------------------------------
 #pragma once
@@ -115,22 +116,17 @@ private:
 
     random(sRNG, rn_test);
 
-    std::cout << GridLogHMC
-              << "--------------------------------------------------\n";
-    std::cout << GridLogHMC << "exp(-dH) = " << prob
-              << "  Random = " << rn_test << "\n";
-    std::cout << GridLogHMC
-              << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
+    std::cout << GridLogHMC << "exp(-dH) = " << prob << "  Random = " << rn_test << "\n";
+    std::cout << GridLogHMC << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
 
     if ((prob > 1.0) || (rn_test <= prob)) {  // accepted
       std::cout << GridLogHMC << "Metropolis_test -- ACCEPTED\n";
-      std::cout << GridLogHMC
-                << "--------------------------------------------------\n";
+      std::cout << GridLogHMC << "--------------------------------------------------\n";
       return true;
     } else {  // rejected
       std::cout << GridLogHMC << "Metropolis_test -- REJECTED\n";
-      std::cout << GridLogHMC
-                << "--------------------------------------------------\n";
+      std::cout << GridLogHMC << "--------------------------------------------------\n";
       return false;
     }
   }
@@ -139,19 +135,68 @@ private:
   // Evolution
   /////////////////////////////////////////////////////////
   RealD evolve_hmc_step(Field &U) {
-    TheIntegrator.refresh(U, sRNG, pRNG);  // set U and initialize P and phi's
 
-    RealD H0 = TheIntegrator.S(U);  // initial state action
+    GridBase *Grid = U.Grid();
+
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // Mainly for DDHMC perform a random translation of U modulo volume
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Random shifting gauge field by [";
+    for(int d=0;d<Grid->Nd();d++) {
+
+      int L = Grid->GlobalDimensions()[d];
+
+      RealD rn_uniform;  random(sRNG, rn_uniform);
+
+      int shift = (int) (rn_uniform*L);
+
+      std::cout << shift;
+      if(d<Grid->Nd()-1) std::cout <<",";
+      else               std::cout <<"]\n";
+      
+      U = Cshift(U,d,shift);
+    }
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+
+    TheIntegrator.reset_timer();
+    
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // set U and initialize P and phi's
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Refresh momenta and pseudofermions";
+    TheIntegrator.refresh(U, sRNG, pRNG);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // initial state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Compute initial action";
+    RealD H0 = TheIntegrator.S(U);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
 
     std::streamsize current_precision = std::cout.precision();
     std::cout.precision(15);
     std::cout << GridLogHMC << "Total H before trajectory = " << H0 << "\n";
     std::cout.precision(current_precision);
 
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << " Molecular Dynamics evolution ";
     TheIntegrator.integrate(U);
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
 
-    RealD H1 = TheIntegrator.S(U);  // updated state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // updated state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Compute final action";
+    RealD H1 = TheIntegrator.S(U);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
 
+
+    
     ///////////////////////////////////////////////////////////
     if(0){
       std::cout << "------------------------- Reversibility test" << std::endl;
@@ -163,17 +208,16 @@ private:
     }
     ///////////////////////////////////////////////////////////
 
-
     std::cout.precision(15);
-    std::cout << GridLogHMC << "Total H after trajectory  = " << H1
-	      << "  dH = " << H1 - H0 << "\n";
+
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
+    std::cout << GridLogHMC << "Total H after trajectory  = " << H1 << "  dH = " << H1 - H0 << "\n";
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
+
     std::cout.precision(current_precision);
     
     return (H1 - H0);
   }
-  
-
-  
 
 public:
   /////////////////////////////////////////
@@ -195,8 +239,11 @@ public:
 
     // Actual updates (evolve a copy Ucopy then copy back eventually)
     unsigned int FinalTrajectory = Params.Trajectories + Params.NoMetropolisUntil + Params.StartTrajectory;
+
     for (int traj = Params.StartTrajectory; traj < FinalTrajectory; ++traj) {
+
       std::cout << GridLogHMC << "-- # Trajectory = " << traj << "\n";
+
       if (traj < Params.StartTrajectory + Params.NoMetropolisUntil) {
       	std::cout << GridLogHMC << "-- Thermalization" << std::endl;
       }
@@ -216,11 +263,10 @@ public:
       if (accept)
         Ucur = Ucopy; 
       
-     
-      
       double t1=usecond();
       std::cout << GridLogHMC << "Total time for trajectory (s): " << (t1-t0)/1e6 << std::endl;
 
+      TheIntegrator.print_timer();
 
       for (int obs = 0; obs < Observables.size(); obs++) {
       	std::cout << GridLogDebug << "Observables # " << obs << std::endl;

Grid/qcd/hmc/HMCResourceManager.h

@@ -72,6 +72,8 @@ class HMCResourceManager {
   typedef HMCModuleBase< BaseHmcCheckpointer<ImplementationPolicy> > CheckpointerBaseModule;
   typedef HMCModuleBase< HmcObservable<typename ImplementationPolicy::Field> > ObservableBaseModule;
   typedef ActionModuleBase< Action<typename ImplementationPolicy::Field>, GridModule > ActionBaseModule;
+  typedef typename ImplementationPolicy::Field MomentaField;
+  typedef typename ImplementationPolicy::Field Field;  
 
   // Named storage for grid pairs (std + red-black)
   std::unordered_map<std::string, GridModule> Grids;
@@ -80,6 +82,9 @@ class HMCResourceManager {
   // SmearingModule<ImplementationPolicy> Smearing;
   std::unique_ptr<CheckpointerBaseModule> CP;
 
+  // Momentum filter
+  std::unique_ptr<MomentumFilterBase<typename ImplementationPolicy::Field> > Filter;
+  
   // A vector of HmcObservable modules
   std::vector<std::unique_ptr<ObservableBaseModule> > ObservablesList;
 
@@ -90,6 +95,7 @@ class HMCResourceManager {
 
   bool have_RNG;
   bool have_CheckPointer;
+  bool have_Filter;
 
   // NOTE: operator << is not overloaded for std::vector<string> 
   // so this function is necessary
@@ -101,7 +107,7 @@ class HMCResourceManager {
 
 
 public:
-  HMCResourceManager() : have_RNG(false), have_CheckPointer(false) {}
+  HMCResourceManager() : have_RNG(false), have_CheckPointer(false), have_Filter(false) {}
 
   template <class ReaderClass, class vector_type = vComplex >
   void initialize(ReaderClass &Read){
@@ -129,6 +135,7 @@ public:
     RNGModuleParameters RNGpar(Read);
     SetRNGSeeds(RNGpar);
 
+  
     // Observables
     auto &ObsFactory = HMC_ObservablesModuleFactory<observable_string, typename ImplementationPolicy::Field, ReaderClass>::getInstance(); 
     Read.push(observable_string);// here must check if existing...
@@ -208,6 +215,16 @@ public:
     AddGrid(s, Mod);
   }
 
+  void SetMomentumFilter( MomentumFilterBase<typename ImplementationPolicy::Field> * MomFilter) {
+    assert(have_Filter==false);
+    Filter = std::unique_ptr<MomentumFilterBase<typename ImplementationPolicy::Field> >(MomFilter);
+    have_Filter = true;
+  }
+  MomentumFilterBase<typename ImplementationPolicy::Field> *GetMomentumFilter(void) {
+    if ( !have_Filter)
+      SetMomentumFilter(new MomentumFilterNone<typename ImplementationPolicy::Field>());
+    return Filter.get();
+  }
 
   GridCartesian* GetCartesian(std::string s = "") {
     if (s.empty()) s = Grids.begin()->first;

Grid/qcd/hmc/integrators/Integrator.h

@@ -33,7 +33,6 @@ directory
 #define INTEGRATOR_INCLUDED
 
 #include <memory>
-#include "MomentumFilter.h"
 
 NAMESPACE_BEGIN(Grid);
 
@@ -67,6 +66,7 @@ public:
 template <class FieldImplementation, class SmearingPolicy, class RepresentationPolicy>
 class Integrator {
 protected:
+
   typedef typename FieldImplementation::Field MomentaField;  //for readability
   typedef typename FieldImplementation::Field Field;
 
@@ -119,42 +119,58 @@ protected:
     }
   } update_P_hireps{};
 
+ 
   void update_P(MomentaField& Mom, Field& U, int level, double ep) {
     // input U actually not used in the fundamental case
     // Fundamental updates, include smearing
 
     for (int a = 0; a < as[level].actions.size(); ++a) {
+
       double start_full = usecond();
       Field force(U.Grid());
       conformable(U.Grid(), Mom.Grid());
 
       Field& Us = Smearer.get_U(as[level].actions.at(a)->is_smeared);
       double start_force = usecond();
+      as[level].actions.at(a)->deriv_timer_start();
       as[level].actions.at(a)->deriv(Us, force);  // deriv should NOT include Ta
+      as[level].actions.at(a)->deriv_timer_stop();
 
       std::cout << GridLogIntegrator << "Smearing (on/off): " << as[level].actions.at(a)->is_smeared << std::endl;
+      auto name = as[level].actions.at(a)->action_name();
       if (as[level].actions.at(a)->is_smeared) Smearer.smeared_force(force);
+
       force = FieldImplementation::projectForce(force); // Ta for gauge fields
       double end_force = usecond();
 
-      Real force_abs = std::sqrt(norm2(force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
+      MomFilter->applyFilter(force);
+      std::cout << GridLogIntegrator << " update_P : Level [" << level <<"]["<<a <<"] "<<name<< std::endl;
+      //      DumpSliceNorm("force ",force,Nd-1);
+      
+      Real force_abs   = std::sqrt(norm2(force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
       Real impulse_abs = force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
 
-      Real max_force_abs = std::sqrt(maxLocalNorm2(force));
-      Real max_impulse_abs = max_force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
+      Real force_max   = std::sqrt(maxLocalNorm2(force));
+      Real impulse_max = force_max * ep * HMC_MOMENTUM_DENOMINATOR;    
+
+      as[level].actions.at(a)->deriv_log(force_abs,force_max);
+      
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Force average: " << force_abs <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Force max    : " << force_max <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Fdt average  : " << impulse_abs <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Fdt max      : " << impulse_max <<" "<<name<<std::endl;
 
-      std::cout << GridLogIntegrator << "["<<level<<"]["<<a<<"] Force average: " << force_abs << " Max force: " << max_force_abs << " Time step: " << ep << " Impulse average: " << impulse_abs << " Max impulse: " << max_impulse_abs << std::endl;
       Mom -= force * ep* HMC_MOMENTUM_DENOMINATOR;; 
       double end_full = usecond();
       double time_full  = (end_full - start_full) / 1e3;
       double time_force = (end_force - start_force) / 1e3;
       std::cout << GridLogMessage << "["<<level<<"]["<<a<<"] P update elapsed time: " << time_full << " ms (force: " << time_force << " ms)"  << std::endl;
+
     }
 
     // Force from the other representations
     as[level].apply(update_P_hireps, Representations, Mom, U, ep);
 
-    MomFilter->applyFilter(Mom);
   }
 
   void update_U(Field& U, double ep) 
@@ -168,8 +184,12 @@ protected:
   
   void update_U(MomentaField& Mom, Field& U, double ep) 
   {
+    MomentaField MomFiltered(Mom.Grid());
+    MomFiltered = Mom;
+    MomFilter->applyFilter(MomFiltered);
+
     // exponential of Mom*U in the gauge fields case
-    FieldImplementation::update_field(Mom, U, ep);
+    FieldImplementation::update_field(MomFiltered, U, ep);
 
     // Update the smeared fields, can be implemented as observer
     Smearer.set_Field(U);
@@ -212,6 +232,66 @@ public:
   const MomentaField & getMomentum() const{ return P; }
   
 
+  void reset_timer(void)
+  {
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+        as[level].actions.at(actionID)->reset_timer();
+      }
+    }
+  }
+  void print_timer(void)
+  {
+    std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::" << std::endl;
+    std::cout << GridLogMessage << " Refresh cumulative timings "<<std::endl;
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] "
+		  << as[level].actions.at(actionID)->refresh_us*1.0e-6<<" s"<< std::endl;
+      }
+    }
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    std::cout << GridLogMessage << " Action cumulative timings "<<std::endl;
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] "
+		  << as[level].actions.at(actionID)->S_us*1.0e-6<<" s"<< std::endl;
+      }
+    }
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    std::cout << GridLogMessage << " Force cumulative timings "<<std::endl;
+    std::cout << GridLogMessage << "------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] "
+		  << as[level].actions.at(actionID)->deriv_us*1.0e-6<<" s"<< std::endl;
+      }
+    }
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    std::cout << GridLogMessage << " Force average size "<<std::endl;
+    std::cout << GridLogMessage << "------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] : "
+		  <<" force max " << as[level].actions.at(actionID)->deriv_max_average()
+		  <<" norm "      << as[level].actions.at(actionID)->deriv_norm_average()
+		  <<" calls "     << as[level].actions.at(actionID)->deriv_num
+		  << std::endl;
+      }
+    }
+    std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
+  }
+  
   void print_parameters()
   {
     std::cout << GridLogMessage << "[Integrator] Name : "<< integrator_name() << std::endl;
@@ -230,7 +310,6 @@ public:
       }
     }
     std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
-
   }
 
   void reverse_momenta()
@@ -277,16 +356,19 @@ public:
       for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
         // get gauge field from the SmearingPolicy and
         // based on the boolean is_smeared in actionID
-	std::cout << GridLogIntegrator << "Refreshing integrator level " << level << " index " << actionID << std::endl;
+	auto name = as[level].actions.at(actionID)->action_name();
+        std::cout << GridLogMessage << "refresh [" << level << "][" << actionID << "] "<<name << std::endl;
+
         Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
+	as[level].actions.at(actionID)->refresh_timer_start();
         as[level].actions.at(actionID)->refresh(Us, sRNG, pRNG);
+	as[level].actions.at(actionID)->refresh_timer_stop();
       }
 
       // Refresh the higher representation actions
       as[level].apply(refresh_hireps, Representations, sRNG, pRNG);
     }
 
-    MomFilter->applyFilter(P);
   }
 
   // to be used by the actionlevel class to iterate
@@ -321,7 +403,9 @@ public:
         // based on the boolean is_smeared in actionID
         Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] action eval " << std::endl;
+	        as[level].actions.at(actionID)->S_timer_start();
         Hterm = as[level].actions.at(actionID)->S(Us);
+   	        as[level].actions.at(actionID)->S_timer_stop();
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
         H += Hterm;
       }

Grid/qcd/observables/topological_charge.h

@@ -99,7 +99,7 @@ public:
 	// using wilson flow by default here
 	WilsonFlow<PeriodicGimplR> WF(Pars.Smearing.steps, Pars.Smearing.step_size, Pars.Smearing.meas_interval);
 	WF.smear_adaptive(Usmear, U, Pars.Smearing.maxTau);
-	Real T0   = WF.energyDensityPlaquette(Pars.Smearing.maxTau, Usmear);
+	Real T0   = WF.energyDensityPlaquette(Usmear);
 	std::cout << GridLogMessage << std::setprecision(std::numeric_limits<Real>::digits10 + 1)
 		  << "T0                : [ " << traj << " ] "<< T0 << std::endl;
       }

Grid/qcd/smearing/WilsonFlow.h

@@ -7,7 +7,6 @@ Source file: ./lib/qcd/modules/plaquette.h
 Copyright (C) 2017
 
 Author: Guido Cossu <guido.cossu@ed.ac.uk>
-Author: Christopher Kelly <ckelly@bnl.gov>
 
 This program is free software; you can redistribute it and/or modify
 it under the terms of the GNU General Public License as published by
@@ -34,44 +33,28 @@ NAMESPACE_BEGIN(Grid);
 
 template <class Gimpl>
 class WilsonFlow: public Smear<Gimpl>{
-public:
-  //Store generic measurements to take during smearing process using std::function
-  typedef std::function<void(int, RealD, const typename Gimpl::GaugeField &)> FunctionType;  //int: step,  RealD: flow time,  GaugeField : the gauge field
-  
-private:
   unsigned int Nstep;
-  RealD epsilon; //for regular smearing this is the time step, for adaptive it is the initial time step
- 
-  std::vector< std::pair<int, FunctionType> > functions; //The int maps to the measurement frequency
+  unsigned int measure_interval;
+  mutable RealD epsilon, taus;
+
 
   mutable WilsonGaugeAction<Gimpl> SG;
 
-  //Evolve the gauge field by 1 step and update tau
-  void evolve_step(typename Gimpl::GaugeField &U, RealD &tau) const;
-  //Evolve the gauge field by 1 step and update tau and the current time step eps
-  void evolve_step_adaptive(typename Gimpl::GaugeField&U, RealD &tau, RealD &eps, RealD maxTau) const;
+  void evolve_step(typename Gimpl::GaugeField&) const;
+  void evolve_step_adaptive(typename Gimpl::GaugeField&, RealD);
+  RealD tau(unsigned int t)const {return epsilon*(t+1.0); }
 
 public:
   INHERIT_GIMPL_TYPES(Gimpl)
 
-  void resetActions(){ functions.clear(); }
-
-  void addMeasurement(int meas_interval, FunctionType meas){ functions.push_back({meas_interval, meas}); }
-
-  //Set the class to perform the default measurements: 
-  //the plaquette energy density every step
-  //the plaquette topological charge every 'topq_meas_interval' steps
-  //and output to stdout
-  void setDefaultMeasurements(int topq_meas_interval = 1);
-
   explicit WilsonFlow(unsigned int Nstep, RealD epsilon, unsigned int interval = 1):
   Nstep(Nstep),
     epsilon(epsilon),
+    measure_interval(interval),
     SG(WilsonGaugeAction<Gimpl>(3.0)) {
     // WilsonGaugeAction with beta 3.0
     assert(epsilon > 0.0);
     LogMessage();
-    setDefaultMeasurements(interval);
   }
 
   void LogMessage() {
@@ -90,29 +73,9 @@ public:
     // undefined for WilsonFlow
   }
 
-  void smear_adaptive(GaugeField&, const GaugeField&, RealD maxTau) const;
-
-  //Compute t^2 <E(t)> for time t from the plaquette
-  static RealD energyDensityPlaquette(const RealD t, const GaugeField& U);
-
-  //Compute t^2 <E(t)> for time t from the 1x1 cloverleaf form
-  //t is the Wilson flow time
-  static RealD energyDensityCloverleaf(const RealD t, const GaugeField& U);
-  
-  //Evolve the gauge field by Nstep steps of epsilon and return the energy density computed every interval steps
-  //The smeared field is output as V
-  std::vector<RealD> flowMeasureEnergyDensityPlaquette(GaugeField &V, const GaugeField& U, int measure_interval = 1);
-
-  //Version that does not return the smeared field
-  std::vector<RealD> flowMeasureEnergyDensityPlaquette(const GaugeField& U, int measure_interval = 1);
-
-
-  //Evolve the gauge field by Nstep steps of epsilon and return the Cloverleaf energy density computed every interval steps
-  //The smeared field is output as V
-  std::vector<RealD> flowMeasureEnergyDensityCloverleaf(GaugeField &V, const GaugeField& U, int measure_interval = 1);
-
-  //Version that does not return the smeared field
-  std::vector<RealD> flowMeasureEnergyDensityCloverleaf(const GaugeField& U, int measure_interval = 1);
+  void smear_adaptive(GaugeField&, const GaugeField&, RealD maxTau);
+  RealD energyDensityPlaquette(unsigned int step, const GaugeField& U) const;
+  RealD energyDensityPlaquette(const GaugeField& U) const;
 };
 
 
@@ -120,7 +83,7 @@ public:
 // Implementations
 ////////////////////////////////////////////////////////////////////////////////
 template <class Gimpl>
-void WilsonFlow<Gimpl>::evolve_step(typename Gimpl::GaugeField &U, RealD &tau) const{
+void WilsonFlow<Gimpl>::evolve_step(typename Gimpl::GaugeField &U) const{
   GaugeField Z(U.Grid());
   GaugeField tmp(U.Grid());
   SG.deriv(U, Z);
@@ -136,13 +99,12 @@ void WilsonFlow<Gimpl>::evolve_step(typename Gimpl::GaugeField &U, RealD &tau) c
   SG.deriv(U, tmp); Z += tmp;                 // 4/3*(17/36*Z0 -8/9*Z1) +Z2
   Z *= 3.0/4.0;                               // Z = 17/36*Z0 -8/9*Z1 +3/4*Z2
   Gimpl::update_field(Z, U, -2.0*epsilon);    // V(t+e) = exp(ep*Z)*W2
-  tau += epsilon;
 }
 
 template <class Gimpl>
-void WilsonFlow<Gimpl>::evolve_step_adaptive(typename Gimpl::GaugeField &U, RealD &tau, RealD &eps, RealD maxTau) const{
-  if (maxTau - tau < eps){
-    eps = maxTau-tau;
+void WilsonFlow<Gimpl>::evolve_step_adaptive(typename Gimpl::GaugeField &U, RealD maxTau) {
+  if (maxTau - taus < epsilon){
+    epsilon = maxTau-taus;
   }
   //std::cout << GridLogMessage << "Integration epsilon : " << epsilon << std::endl;
   GaugeField Z(U.Grid());
@@ -152,151 +114,95 @@ void WilsonFlow<Gimpl>::evolve_step_adaptive(typename Gimpl::GaugeField &U, Real
   SG.deriv(U, Z);
   Zprime = -Z;
   Z *= 0.25;                                  // Z0 = 1/4 * F(U)
-  Gimpl::update_field(Z, U, -2.0*eps);    // U = W1 = exp(ep*Z0)*W0
+  Gimpl::update_field(Z, U, -2.0*epsilon);    // U = W1 = exp(ep*Z0)*W0
 
   Z *= -17.0/8.0;
   SG.deriv(U, tmp); Z += tmp;                 // -17/32*Z0 +Z1
   Zprime += 2.0*tmp;
   Z *= 8.0/9.0;                               // Z = -17/36*Z0 +8/9*Z1
-  Gimpl::update_field(Z, U, -2.0*eps);    // U_= W2 = exp(ep*Z)*W1
+  Gimpl::update_field(Z, U, -2.0*epsilon);    // U_= W2 = exp(ep*Z)*W1
     
 
   Z *= -4.0/3.0;
   SG.deriv(U, tmp); Z += tmp;                 // 4/3*(17/36*Z0 -8/9*Z1) +Z2
   Z *= 3.0/4.0;                               // Z = 17/36*Z0 -8/9*Z1 +3/4*Z2
-  Gimpl::update_field(Z, U, -2.0*eps);    // V(t+e) = exp(ep*Z)*W2
+  Gimpl::update_field(Z, U, -2.0*epsilon);    // V(t+e) = exp(ep*Z)*W2
 
   // Ramos 
-  Gimpl::update_field(Zprime, Uprime, -2.0*eps); // V'(t+e) = exp(ep*Z')*W0
+  Gimpl::update_field(Zprime, Uprime, -2.0*epsilon); // V'(t+e) = exp(ep*Z')*W0
   // Compute distance as norm^2 of the difference
   GaugeField diffU = U - Uprime;
   RealD diff = norm2(diffU);
   // adjust integration step
     
-  tau += eps;
+  taus += epsilon;
   //std::cout << GridLogMessage << "Adjusting integration step with distance: " << diff << std::endl;
     
-  eps = eps*0.95*std::pow(1e-4/diff,1./3.);
+  epsilon = epsilon*0.95*std::pow(1e-4/diff,1./3.);
   //std::cout << GridLogMessage << "New epsilon : " << epsilon << std::endl;
 
 }
 
-
 template <class Gimpl>
-RealD WilsonFlow<Gimpl>::energyDensityPlaquette(const RealD t, const GaugeField& U){
-  static WilsonGaugeAction<Gimpl> SG(3.0);
-  return 2.0 * t * t * SG.S(U)/U.Grid()->gSites();
-}
-
-//Compute t^2 <E(t)> for time from the 1x1 cloverleaf form
-template <class Gimpl>
-RealD WilsonFlow<Gimpl>::energyDensityCloverleaf(const RealD t, const GaugeField& U){
-  typedef typename Gimpl::GaugeLinkField GaugeMat;
-  typedef typename Gimpl::GaugeField GaugeLorentz;
-
-  assert(Nd == 4);
-  //E = 1/2 tr( F_munu F_munu )
-  //However as  F_numu = -F_munu, only need to sum the trace of the squares of the following 6 field strengths:
-  //F_01 F_02 F_03   F_12 F_13  F_23
-  GaugeMat F(U.Grid());
-  LatticeComplexD R(U.Grid());
-  R = Zero();
-  
-  for(int mu=0;mu<3;mu++){
-    for(int nu=mu+1;nu<4;nu++){
-      WilsonLoops<Gimpl>::FieldStrength(F, U, mu, nu);
-      R = R + trace(F*F);
-    }
-  }
-  ComplexD out = sum(R);
-  out = t*t*out / RealD(U.Grid()->gSites());
-  return -real(out); //minus sign necessary for +ve energy
-}
-
-
-template <class Gimpl>
-std::vector<RealD> WilsonFlow<Gimpl>::flowMeasureEnergyDensityPlaquette(GaugeField &V, const GaugeField& U, int measure_interval){
-  std::vector<RealD> out;
-  resetActions();
-  addMeasurement(measure_interval, [&out](int step, RealD t, const typename Gimpl::GaugeField &U){ 
-      std::cout << GridLogMessage << "[WilsonFlow] Computing plaquette energy density for step " << step << std::endl;
-      out.push_back( energyDensityPlaquette(t,U) );
-    });      
-  smear(V,U);
-  return out;
+RealD WilsonFlow<Gimpl>::energyDensityPlaquette(unsigned int step, const GaugeField& U) const {
+  RealD td = tau(step);
+  return 2.0 * td * td * SG.S(U)/U.Grid()->gSites();
 }
 
 template <class Gimpl>
-std::vector<RealD> WilsonFlow<Gimpl>::flowMeasureEnergyDensityPlaquette(const GaugeField& U, int measure_interval){
-  GaugeField V(U);
-  return flowMeasureEnergyDensityPlaquette(V,U, measure_interval);
+RealD WilsonFlow<Gimpl>::energyDensityPlaquette(const GaugeField& U) const {
+  return 2.0 * taus * taus * SG.S(U)/U.Grid()->gSites();
 }
 
-template <class Gimpl>
-std::vector<RealD> WilsonFlow<Gimpl>::flowMeasureEnergyDensityCloverleaf(GaugeField &V, const GaugeField& U, int measure_interval){
-  std::vector<RealD> out;
-  resetActions();
-  addMeasurement(measure_interval, [&out](int step, RealD t, const typename Gimpl::GaugeField &U){ 
-      std::cout << GridLogMessage << "[WilsonFlow] Computing Cloverleaf energy density for step " << step << std::endl;
-      out.push_back( energyDensityCloverleaf(t,U) );
-    });      
-  smear(V,U);
-  return out;
-}
-
-template <class Gimpl>
-std::vector<RealD> WilsonFlow<Gimpl>::flowMeasureEnergyDensityCloverleaf(const GaugeField& U, int measure_interval){
-  GaugeField V(U);
-  return flowMeasureEnergyDensityCloverleaf(V,U, measure_interval);
-}
-
-
 
 //#define WF_TIMING 
+
+
+
 template <class Gimpl>
-void WilsonFlow<Gimpl>::smear(GaugeField& out, const GaugeField& in) const{
+void WilsonFlow<Gimpl>::smear(GaugeField& out, const GaugeField& in) const {
   out = in;
-  RealD taus = 0.;
-  for (unsigned int step = 1; step <= Nstep; step++) { //step indicates the number of smearing steps applied at the time of measurement
+  for (unsigned int step = 1; step <= Nstep; step++) {
     auto start = std::chrono::high_resolution_clock::now();
-    evolve_step(out, taus);
+    evolve_step(out);
     auto end = std::chrono::high_resolution_clock::now();
     std::chrono::duration<double> diff = end - start;
 #ifdef WF_TIMING
     std::cout << "Time to evolve " << diff.count() << " s\n";
 #endif
-    //Perform measurements
-    for(auto const &meas : functions)
-      if( step % meas.first == 0 ) meas.second(step,taus,out);
+    std::cout << GridLogMessage << "[WilsonFlow] Energy density (plaq) : "
+		  << step << "  " << tau(step) << "  " 
+	      << energyDensityPlaquette(step,out) << std::endl;
+    if( step % measure_interval == 0){
+      std::cout << GridLogMessage << "[WilsonFlow] Top. charge           : "
+		<< step << "  " 
+		<< WilsonLoops<PeriodicGimplR>::TopologicalCharge(out) << std::endl;
+    }
   }
 }
 
 template <class Gimpl>
-void WilsonFlow<Gimpl>::smear_adaptive(GaugeField& out, const GaugeField& in, RealD maxTau) const{
+void WilsonFlow<Gimpl>::smear_adaptive(GaugeField& out, const GaugeField& in, RealD maxTau){
   out = in;
-  RealD taus = 0.;
-  RealD eps = epsilon;
+  taus = epsilon;
   unsigned int step = 0;
   do{
     step++;
     //std::cout << GridLogMessage << "Evolution time :"<< taus << std::endl;
-    evolve_step_adaptive(out, taus, eps, maxTau);
-    //Perform measurements
-    for(auto const &meas : functions)
-      if( step % meas.first == 0 ) meas.second(step,taus,out);
+    evolve_step_adaptive(out, maxTau);
+    std::cout << GridLogMessage << "[WilsonFlow] Energy density (plaq) : "
+		  << step << "  " << taus << "  "
+	      << energyDensityPlaquette(out) << std::endl;
+    if( step % measure_interval == 0){
+      std::cout << GridLogMessage << "[WilsonFlow] Top. charge           : "
+		<< step << "  " 
+		<< WilsonLoops<PeriodicGimplR>::TopologicalCharge(out) << std::endl;
+    }
   } while (taus < maxTau);
-}
 
-template <class Gimpl>
-void WilsonFlow<Gimpl>::setDefaultMeasurements(int topq_meas_interval){
-  addMeasurement(1, [](int step, RealD t, const typename Gimpl::GaugeField &U){
-      std::cout << GridLogMessage << "[WilsonFlow] Energy density (plaq) : "  << step << "  " << t << "  " << energyDensityPlaquette(t,U) << std::endl;
-    });
-  addMeasurement(topq_meas_interval, [](int step, RealD t, const typename Gimpl::GaugeField &U){
-      std::cout << GridLogMessage << "[WilsonFlow] Top. charge           : "  << step << "  " << WilsonLoops<Gimpl>::TopologicalCharge(U) << std::endl;
-    });
-}
 
 
+}
+
 NAMESPACE_END(Grid);
 

Grid/random/gaussian.h

@@ -1,200 +0,0 @@
-// -*- C++ -*-
-//===--------------------------- random -----------------------------------===//
-//
-// Part of the LLVM Project, under the Apache License v2.0 with LLVM Exceptions.
-// See https://llvm.org/LICENSE.txt for license information.
-// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception
-//
-//===----------------------------------------------------------------------===//
-
-// Peter Boyle: Taken from libc++ in Clang/LLVM.
-// Reason is that libstdc++ and clang differ in their return order in the normal_distribution / box mueller type step.
-// standardise on one and call it "gaussian_distribution".
-
-#pragma once
-
-#include <cstddef>
-#include <cstdint>
-#include <cmath>
-#include <type_traits>
-#include <initializer_list>
-#include <limits>
-#include <algorithm>
-#include <numeric>
-#include <vector>
-#include <string>
-#include <istream>
-#include <ostream>
-#include <random>
-
-// normal_distribution -> gaussian distribution
-namespace Grid {
-
-template<class _RealType = double>
-class  gaussian_distribution
-{
-public:
-    // types
-    typedef _RealType result_type;
-
-    class param_type
-    {
-        result_type __mean_;
-        result_type __stddev_;
-    public:
-        typedef gaussian_distribution distribution_type;
-
-        strong_inline
-        explicit param_type(result_type __mean = 0, result_type __stddev = 1)
-            : __mean_(__mean), __stddev_(__stddev) {}
-
-        strong_inline
-        result_type mean() const {return __mean_;}
-        strong_inline
-        result_type stddev() const {return __stddev_;}
-
-        friend strong_inline
-            bool operator==(const param_type& __x, const param_type& __y)
-            {return __x.__mean_ == __y.__mean_ && __x.__stddev_ == __y.__stddev_;}
-        friend strong_inline
-            bool operator!=(const param_type& __x, const param_type& __y)
-            {return !(__x == __y);}
-    };
-
-private:
-    param_type __p_;
-    result_type _V_;
-    bool _V_hot_;
-
-public:
-    // constructors and reset functions
-    strong_inline
-    explicit gaussian_distribution(result_type __mean = 0, result_type __stddev = 1)
-        : __p_(param_type(__mean, __stddev)), _V_hot_(false) {}
-    strong_inline
-    explicit gaussian_distribution(const param_type& __p)
-        : __p_(__p), _V_hot_(false) {}
-    strong_inline
-    void reset() {_V_hot_ = false;}
-
-    // generating functions
-    template<class _URNG>
-        strong_inline
-        result_type operator()(_URNG& __g)
-        {return (*this)(__g, __p_);}
-    template<class _URNG> result_type operator()(_URNG& __g, const param_type& __p);
-
-    // property functions
-    strong_inline
-    result_type mean() const {return __p_.mean();}
-    strong_inline
-    result_type stddev() const {return __p_.stddev();}
-
-    strong_inline
-    param_type param() const {return __p_;}
-    strong_inline
-    void param(const param_type& __p) {__p_ = __p;}
-
-    strong_inline
-    result_type min() const {return -std::numeric_limits<result_type>::infinity();}
-    strong_inline
-    result_type max() const {return std::numeric_limits<result_type>::infinity();}
-
-    friend strong_inline
-        bool operator==(const gaussian_distribution& __x,
-                        const gaussian_distribution& __y)
-        {return __x.__p_ == __y.__p_ && __x._V_hot_ == __y._V_hot_ &&
-                (!__x._V_hot_ || __x._V_ == __y._V_);}
-    friend strong_inline
-        bool operator!=(const gaussian_distribution& __x,
-                        const gaussian_distribution& __y)
-        {return !(__x == __y);}
-
-    template <class _CharT, class _Traits, class _RT>
-    friend
-    std::basic_ostream<_CharT, _Traits>&
-    operator<<(std::basic_ostream<_CharT, _Traits>& __os,
-               const gaussian_distribution<_RT>& __x);
-
-    template <class _CharT, class _Traits, class _RT>
-    friend
-    std::basic_istream<_CharT, _Traits>&
-    operator>>(std::basic_istream<_CharT, _Traits>& __is,
-               gaussian_distribution<_RT>& __x);
-};
-
-template <class _RealType>
-template<class _URNG>
-_RealType
-gaussian_distribution<_RealType>::operator()(_URNG& __g, const param_type& __p)
-{
-    result_type _Up;
-    if (_V_hot_)
-    {
-        _V_hot_ = false;
-        _Up = _V_;
-    }
-    else
-    {
-        std::uniform_real_distribution<result_type> _Uni(-1, 1);
-        result_type __u;
-        result_type __v;
-        result_type __s;
-        do
-        {
-            __u = _Uni(__g);
-            __v = _Uni(__g);
-            __s = __u * __u + __v * __v;
-        } while (__s > 1 || __s == 0);
-        result_type _Fp = std::sqrt(-2 * std::log(__s) / __s);
-        _V_ = __v * _Fp;
-        _V_hot_ = true;
-        _Up = __u * _Fp;
-    }
-    return _Up * __p.stddev() + __p.mean();
-}
-
-template <class _CharT, class _Traits, class _RT>
-std::basic_ostream<_CharT, _Traits>&
-operator<<(std::basic_ostream<_CharT, _Traits>& __os,
-           const gaussian_distribution<_RT>& __x)
-{
-    auto __save_flags = __os.flags();
-    __os.flags(std::ios_base::dec | std::ios_base::left | std::ios_base::fixed |
-               std::ios_base::scientific);
-    _CharT __sp = __os.widen(' ');
-    __os.fill(__sp);
-    __os << __x.mean() << __sp << __x.stddev() << __sp << __x._V_hot_;
-    if (__x._V_hot_)
-        __os << __sp << __x._V_;
-    __os.flags(__save_flags);
-    return __os;
-}
-
-template <class _CharT, class _Traits, class _RT>
-std::basic_istream<_CharT, _Traits>&
-operator>>(std::basic_istream<_CharT, _Traits>& __is,
-           gaussian_distribution<_RT>& __x)
-{
-    typedef gaussian_distribution<_RT> _Eng;
-    typedef typename _Eng::result_type result_type;
-    typedef typename _Eng::param_type param_type;
-    auto __save_flags = __is.flags();
-    __is.flags(std::ios_base::dec | std::ios_base::skipws);
-    result_type __mean;
-    result_type __stddev;
-    result_type _Vp = 0;
-    bool _V_hot = false;
-    __is >> __mean >> __stddev >> _V_hot;
-    if (_V_hot)
-        __is >> _Vp;
-    if (!__is.fail())
-    {
-        __x.param(param_type(__mean, __stddev));
-        __x._V_hot_ = _V_hot;
-        __x._V_ = _Vp;
-    }
-    __is.flags(__save_flags);
-    return __is;
-}
-}

Grid/stencil/Stencil.h

@@ -131,8 +131,11 @@ class CartesianStencilAccelerator {
   int           _checkerboard;
   int           _npoints; // Move to template param?
   int           _osites;
+  int           _dirichlet;
   StencilVector _directions;
   StencilVector _distances;
+  StencilVector _comms_send;
+  StencilVector _comms_recv;
   StencilVector _comm_buf_size;
   StencilVector _permute_type;
   StencilVector same_node;
@@ -226,6 +229,8 @@ public:
     void * recv_buf;
     Integer to_rank;
     Integer from_rank;
+    Integer do_send;
+    Integer do_recv;
     Integer bytes;
   };
   struct Merge {
@@ -240,7 +245,20 @@ public:
     cobj * mpi_p;
     Integer buffer_size;
   };
-
+  struct CopyReceiveBuffer {
+    void * from_p;
+    void * to_p;
+    Integer bytes;
+  };
+  struct CachedTransfer {
+    Integer direction;
+    Integer OrthogPlane;
+    Integer DestProc;
+    Integer bytes;
+    Integer lane;
+    Integer cb;
+    void *recv_buf;
+  };
 
 protected:
   GridBase *                        _grid;
@@ -271,7 +289,8 @@ public:
   std::vector<Merge> MergersSHM;
   std::vector<Decompress> Decompressions;
   std::vector<Decompress> DecompressionsSHM;
-
+  std::vector<CopyReceiveBuffer> CopyReceiveBuffers ;
+  std::vector<CachedTransfer> CachedTransfers;
   ///////////////////////////////////////////////////////////
   // Unified Comms buffers for all directions
   ///////////////////////////////////////////////////////////
@@ -284,29 +303,6 @@ public:
   int u_comm_offset;
   int _unified_buffer_size;
 
-  /////////////////////////////////////////
-  // Timing info; ugly; possibly temporary
-  /////////////////////////////////////////
-  double commtime;
-  double mpi3synctime;
-  double mpi3synctime_g;
-  double shmmergetime;
-  double gathertime;
-  double gathermtime;
-  double halogtime;
-  double mergetime;
-  double decompresstime;
-  double comms_bytes;
-  double shm_bytes;
-  double splicetime;
-  double nosplicetime;
-  double calls;
-  std::vector<double> comm_bytes_thr;
-  std::vector<double> shm_bytes_thr;
-  std::vector<double> comm_time_thr;
-  std::vector<double> comm_enter_thr;
-  std::vector<double> comm_leave_thr;
-
   ////////////////////////////////////////
   // Stencil query
   ////////////////////////////////////////
@@ -333,11 +329,12 @@ public:
   //////////////////////////////////////////
   // Comms packet queue for asynch thread
   // Use OpenMP Tasks for cleaner ???
+  // must be called *inside* parallel region
   //////////////////////////////////////////
+  /*
   void CommunicateThreaded()
   {
 #ifdef GRID_OMP
-    // must be called in parallel region
     int mythread = omp_get_thread_num();
     int nthreads = CartesianCommunicator::nCommThreads;
 #else
@@ -346,65 +343,29 @@ public:
 #endif
     if (nthreads == -1) nthreads = 1;
     if (mythread < nthreads) {
-      comm_enter_thr[mythread] = usecond();
       for (int i = mythread; i < Packets.size(); i += nthreads) {
 	uint64_t bytes = _grid->StencilSendToRecvFrom(Packets[i].send_buf,
 						      Packets[i].to_rank,
 						      Packets[i].recv_buf,
 						      Packets[i].from_rank,
 						      Packets[i].bytes,i);
-	comm_bytes_thr[mythread] += bytes;
-	shm_bytes_thr[mythread] += 2*Packets[i].bytes-bytes; // Send + Recv.
-
       }
-      comm_leave_thr[mythread]= usecond();
-      comm_time_thr[mythread] += comm_leave_thr[mythread] - comm_enter_thr[mythread];
     }
   }
-
-  void CollateThreads(void)
-  {
-    int nthreads = CartesianCommunicator::nCommThreads;
-    double first=0.0;
-    double last =0.0;
-
-    for(int t=0;t<nthreads;t++) {
-
-      double t0 = comm_enter_thr[t];
-      double t1 = comm_leave_thr[t];
-      comms_bytes+=comm_bytes_thr[t];
-      shm_bytes  +=shm_bytes_thr[t];
-
-      comm_enter_thr[t] = 0.0;
-      comm_leave_thr[t] = 0.0;
-      comm_time_thr[t]   = 0.0;
-      comm_bytes_thr[t]=0;
-      shm_bytes_thr[t]=0;
-
-      if ( first == 0.0 ) first = t0;                   // first is t0
-      if ( (t0 > 0.0) && ( t0 < first ) ) first = t0;   // min time seen
-
-      if ( t1 > last ) last = t1;                       // max time seen
-
-    }
-    commtime+= last-first;
-  }
+  */
   ////////////////////////////////////////////////////////////////////////
   // Non blocking send and receive. Necessarily parallel.
   ////////////////////////////////////////////////////////////////////////
   void CommunicateBegin(std::vector<std::vector<CommsRequest_t> > &reqs)
   {
     reqs.resize(Packets.size());
-    commtime-=usecond();
     for(int i=0;i<Packets.size();i++){
-      uint64_t bytes=_grid->StencilSendToRecvFromBegin(reqs[i],
-						     Packets[i].send_buf,
-						     Packets[i].to_rank,
-						     Packets[i].recv_buf,
-						     Packets[i].from_rank,
-						     Packets[i].bytes,i);
-      comms_bytes+=bytes;
-      shm_bytes  +=2*Packets[i].bytes-bytes;
+      _grid->StencilSendToRecvFromBegin(reqs[i],
+					Packets[i].send_buf,
+					Packets[i].to_rank,Packets[i].do_send,
+					Packets[i].recv_buf,
+					Packets[i].from_rank,Packets[i].do_recv,
+					Packets[i].bytes,i);
     }
   }
 
@@ -413,7 +374,6 @@ public:
     for(int i=0;i<Packets.size();i++){
       _grid->StencilSendToRecvFromComplete(reqs[i],i);
     }
-    commtime+=usecond();
   }
   ////////////////////////////////////////////////////////////////////////
   // Blocking send and receive. Either sequential or parallel.
@@ -421,28 +381,27 @@ public:
   void Communicate(void)
   {
     if ( CartesianCommunicator::CommunicatorPolicy == CartesianCommunicator::CommunicatorPolicySequential ){
-      thread_region {
-	// must be called in parallel region
-	int mythread  = thread_num();
-	int maxthreads= thread_max();
-	int nthreads = CartesianCommunicator::nCommThreads;
-	assert(nthreads <= maxthreads);
-	if (nthreads == -1) nthreads = 1;
-	if (mythread < nthreads) {
-	  for (int i = mythread; i < Packets.size(); i += nthreads) {
-	    double start = usecond();
-	    uint64_t bytes= _grid->StencilSendToRecvFrom(Packets[i].send_buf,
-							 Packets[i].to_rank,
-							 Packets[i].recv_buf,
-							 Packets[i].from_rank,
-							 Packets[i].bytes,i);
-	    comm_bytes_thr[mythread] += bytes;
-	    shm_bytes_thr[mythread]  += Packets[i].bytes - bytes;
-	    comm_time_thr[mythread]  += usecond() - start;
-	  }
-	}
-      }
-    } else { // Concurrent and non-threaded asynch calls to MPI
+      /////////////////////////////////////////////////////////
+      // several way threaded on different communicators.
+      // Cannot combine with Dirichlet operators
+      // This scheme is needed on Intel Omnipath for best performance
+      // Deprecate once there are very few omnipath clusters
+      /////////////////////////////////////////////////////////
+      int nthreads = CartesianCommunicator::nCommThreads;
+      int old = GridThread::GetThreads();
+      GridThread::SetThreads(nthreads);
+      thread_for(i,Packets.size(),{
+	  _grid->StencilSendToRecvFrom(Packets[i].send_buf,
+				       Packets[i].to_rank,Packets[i].do_send,
+				       Packets[i].recv_buf,
+				       Packets[i].from_rank,Packets[i].do_recv,
+				       Packets[i].bytes,i);
+      });
+      GridThread::SetThreads(old);
+    } else { 
+      /////////////////////////////////////////////////////////
+      // Concurrent and non-threaded asynch calls to MPI
+      /////////////////////////////////////////////////////////
       std::vector<std::vector<CommsRequest_t> > reqs;
       this->CommunicateBegin(reqs);
       this->CommunicateComplete(reqs);
@@ -484,31 +443,23 @@ public:
       sshift[1] = _grid->CheckerBoardShiftForCB(this->_checkerboard,dimension,shift,Odd);
       if ( sshift[0] == sshift[1] ) {
 	if (splice_dim) {
-	  splicetime-=usecond();
-	  auto tmp  = GatherSimd(source,dimension,shift,0x3,compress,face_idx);
+	  auto tmp  = GatherSimd(source,dimension,shift,0x3,compress,face_idx,point);
 	  is_same_node = is_same_node && tmp;
-	  splicetime+=usecond();
 	} else {
-	  nosplicetime-=usecond();
-	  auto tmp  = Gather(source,dimension,shift,0x3,compress,face_idx);
+	  auto tmp  = Gather(source,dimension,shift,0x3,compress,face_idx,point);
 	  is_same_node = is_same_node && tmp;
-	  nosplicetime+=usecond();
 	}
       } else {
 	if(splice_dim){
-	  splicetime-=usecond();
 	  // if checkerboard is unfavourable take two passes
 	  // both with block stride loop iteration
-	  auto tmp1 =  GatherSimd(source,dimension,shift,0x1,compress,face_idx);
-	  auto tmp2 =  GatherSimd(source,dimension,shift,0x2,compress,face_idx);
+	  auto tmp1 =  GatherSimd(source,dimension,shift,0x1,compress,face_idx,point);
+	  auto tmp2 =  GatherSimd(source,dimension,shift,0x2,compress,face_idx,point);
 	  is_same_node = is_same_node && tmp1 && tmp2;
-	  splicetime+=usecond();
 	} else {
-	  nosplicetime-=usecond();
-	  auto tmp1 = Gather(source,dimension,shift,0x1,compress,face_idx);
-	  auto tmp2 = Gather(source,dimension,shift,0x2,compress,face_idx);
+	  auto tmp1 = Gather(source,dimension,shift,0x1,compress,face_idx,point);
+	  auto tmp2 = Gather(source,dimension,shift,0x2,compress,face_idx,point);
 	  is_same_node = is_same_node && tmp1 && tmp2;
-	  nosplicetime+=usecond();
 	}
       }
     }
@@ -518,13 +469,10 @@ public:
   template<class compressor>
   void HaloGather(const Lattice<vobj> &source,compressor &compress)
   {
-    mpi3synctime_g-=usecond();
     _grid->StencilBarrier();// Synch shared memory on a single nodes
-    mpi3synctime_g+=usecond();
 
     // conformable(source.Grid(),_grid);
     assert(source.Grid()==_grid);
-    halogtime-=usecond();
 
     u_comm_offset=0;
 
@@ -538,7 +486,6 @@ public:
     assert(u_comm_offset==_unified_buffer_size);
 
     accelerator_barrier();
-    halogtime+=usecond();
   }
 
   /////////////////////////
@@ -551,14 +498,72 @@ public:
     Mergers.resize(0);
     MergersSHM.resize(0);
     Packets.resize(0);
-    calls++;
+    CopyReceiveBuffers.resize(0);
+    CachedTransfers.resize(0);
   }
-  void AddPacket(void *xmit,void * rcv, Integer to,Integer from,Integer bytes){
+  void AddCopy(void *from,void * to, Integer bytes)
+  {
+    //    std::cout << "Adding CopyReceiveBuffer "<<std::hex<<from<<" "<<to<<std::dec<<" "<<bytes<<std::endl;
+    CopyReceiveBuffer obj;
+    obj.from_p = from;
+    obj.to_p = to;
+    obj.bytes= bytes;
+    CopyReceiveBuffers.push_back(obj);
+  }
+  void CommsCopy()
+  {
+    //    These are device resident MPI buffers.
+    for(int i=0;i<CopyReceiveBuffers.size();i++){
+      cobj *from=(cobj *)CopyReceiveBuffers[i].from_p;
+      cobj *to  =(cobj *)CopyReceiveBuffers[i].to_p;
+      Integer words = CopyReceiveBuffers[i].bytes/sizeof(cobj);
+      //    std::cout << "CopyReceiveBuffer "<<std::hex<<from<<" "<<to<<std::dec<<" "<<words*sizeof(cobj)<<std::endl;
+      accelerator_forNB(j, words, cobj::Nsimd(), {
+	  coalescedWrite(to[j] ,coalescedRead(from [j]));
+      });
+    }
+  }
+  
+  Integer CheckForDuplicate(Integer direction, Integer OrthogPlane, Integer DestProc, void *recv_buf,Integer lane,Integer bytes,Integer cb)
+  {
+    CachedTransfer obj;
+    obj.direction   = direction;
+    obj.OrthogPlane = OrthogPlane;
+    obj.DestProc    = DestProc;
+    obj.recv_buf    = recv_buf;
+    obj.lane        = lane;
+    obj.bytes       = bytes;
+    obj.cb          = cb;
+
+    for(int i=0;i<CachedTransfers.size();i++){
+      if (   (CachedTransfers[i].direction  ==direction)
+	   &&(CachedTransfers[i].OrthogPlane==OrthogPlane)
+	   &&(CachedTransfers[i].DestProc   ==DestProc)
+	   &&(CachedTransfers[i].bytes      ==bytes)
+	   &&(CachedTransfers[i].lane       ==lane)
+	   &&(CachedTransfers[i].cb         ==cb)
+	     ){
+	//	std::cout << "Found duplicate plane dir "<<direction<<" plane "<< OrthogPlane<< " simd "<<lane << " relproc "<<DestProc<< " bytes "<<bytes <<std::endl;
+	AddCopy(CachedTransfers[i].recv_buf,recv_buf,bytes);
+	return 1;
+      }
+    }
+
+    //    std::cout << "No duplicate plane dir "<<direction<<" plane "<< OrthogPlane<< " simd "<<lane << " relproc "<<DestProc<<"  bytes "<<bytes<<std::endl;
+    CachedTransfers.push_back(obj);
+    return 0;
+  }
+  void AddPacket(void *xmit,void * rcv,
+		 Integer to, Integer do_send,
+		 Integer from, Integer do_recv,
+		 Integer bytes){
     Packet p;
     p.send_buf = xmit;
     p.recv_buf = rcv;
     p.to_rank  = to;
     p.from_rank= from;
+    p.do_send  = do_send;
+    p.do_recv  = do_recv;
     p.bytes    = bytes;
     Packets.push_back(p);
   }
@@ -578,22 +583,17 @@ public:
     mv.push_back(m);
   }
   template<class decompressor>  void CommsMerge(decompressor decompress)    {
+    CommsCopy();
     CommsMerge(decompress,Mergers,Decompressions);
   }
   template<class decompressor>  void CommsMergeSHM(decompressor decompress) {
-    mpi3synctime-=usecond();
     _grid->StencilBarrier();// Synch shared memory on a single nodes
-    mpi3synctime+=usecond();
-    shmmergetime-=usecond();
     CommsMerge(decompress,MergersSHM,DecompressionsSHM);
-    shmmergetime+=usecond();
   }
 
   template<class decompressor>
-  void CommsMerge(decompressor decompress,std::vector<Merge> &mm,std::vector<Decompress> &dd) {
-
-    
-    mergetime-=usecond();
+  void CommsMerge(decompressor decompress,std::vector<Merge> &mm,std::vector<Decompress> &dd)
+  {
     for(int i=0;i<mm.size();i++){
       auto mp = &mm[i].mpointer[0];
       auto vp0= &mm[i].vpointers[0][0];
@@ -603,9 +603,7 @@ public:
 	  decompress.Exchange(mp,vp0,vp1,type,o);
       });
     }
-    mergetime+=usecond();
 
-    decompresstime-=usecond();
     for(int i=0;i<dd.size();i++){
       auto kp = dd[i].kernel_p;
       auto mp = dd[i].mpi_p;
@@ -613,7 +611,6 @@ public:
 	decompress.Decompress(kp,mp,o);
       });
     }
-    decompresstime+=usecond();
   }
   ////////////////////////////////////////
   // Set up routines
@@ -650,19 +647,58 @@ public:
       }
     }
   }
-
+  /// Introduce a block structure and switch off comms on boundaries
+  void DirichletBlock(const Coordinate &dirichlet_block)
+  {
+    this->_dirichlet = 1;
+    for(int ii=0;ii<this->_npoints;ii++){
+      int dimension    = this->_directions[ii];
+      int displacement = this->_distances[ii];
+      int shift = displacement;
+      int gd = _grid->_gdimensions[dimension];
+      int fd = _grid->_fdimensions[dimension];
+      int pd = _grid->_processors [dimension];
+      int ld = gd/pd;
+      int pc = _grid->_processor_coor[dimension];
+      ///////////////////////////////////////////
+      // Figure out dirichlet send and receive
+      // on this leg of stencil.
+      ///////////////////////////////////////////
+      int comm_dim        = _grid->_processors[dimension] >1 ;
+      int block = dirichlet_block[dimension];
+      this->_comms_send[ii] = comm_dim;
+      this->_comms_recv[ii] = comm_dim;
+      if ( block ) {
+	assert(abs(displacement) < ld );
+      
+	if( displacement > 0 ) {
+	  // High side, low side
+	  // | <--B--->|
+	  // |    |    |
+	  //           noR
+	  // noS
+	  if ( (ld*(pc+1) ) % block == 0 ) this->_comms_recv[ii] = 0;
+	  if ( ( ld*pc ) % block == 0    ) this->_comms_send[ii] = 0;
+	} else {
+	  // High side, low side
+	  // | <--B--->|
+	  // |    |    |
+	  //           noS
+	  // noR
+	  if ( (ld*(pc+1) ) % block == 0 ) this->_comms_send[ii] = 0;
+	  if ( ( ld*pc ) % block    == 0 ) this->_comms_recv[ii] = 0;
+	}
+      }
+    }
+  }
   CartesianStencil(GridBase *grid,
 		   int npoints,
 		   int checkerboard,
 		   const std::vector<int> &directions,
 		   const std::vector<int> &distances,
 		   Parameters p)
-    : shm_bytes_thr(npoints),
-      comm_bytes_thr(npoints),
-      comm_enter_thr(npoints),
-      comm_leave_thr(npoints),
-      comm_time_thr(npoints)
   {
+    this->_dirichlet = 0;
     face_table_computed=0;
     _grid    = grid;
     this->parameters=p;
@@ -675,6 +711,8 @@ public:
     this->_simd_layout = _grid->_simd_layout; // copy simd_layout to give access to Accelerator Kernels
     this->_directions = StencilVector(directions);
     this->_distances  = StencilVector(distances);
+    this->_comms_send.resize(npoints); 
+    this->_comms_recv.resize(npoints); 
     this->same_node.resize(npoints);
 
     _unified_buffer_size=0;
@@ -693,24 +731,27 @@ public:
       int displacement = distances[i];
       int shift = displacement;
 
+      int gd = _grid->_gdimensions[dimension];
       int fd = _grid->_fdimensions[dimension];
+      int pd = _grid->_processors [dimension];
+      int ld = gd/pd;
       int rd = _grid->_rdimensions[dimension];
+      int pc = _grid->_processor_coor[dimension];
       this->_permute_type[point]=_grid->PermuteType(dimension);
 
       this->_checkerboard = checkerboard;
 
-      //////////////////////////
-      // the permute type
-      //////////////////////////
       int simd_layout     = _grid->_simd_layout[dimension];
       int comm_dim        = _grid->_processors[dimension] >1 ;
       int splice_dim      = _grid->_simd_layout[dimension]>1 && (comm_dim);
       int rotate_dim      = _grid->_simd_layout[dimension]>2;
 
+      this->_comms_send[ii] = comm_dim;
+      this->_comms_recv[ii] = comm_dim;
+
       assert ( (rotate_dim && comm_dim) == false) ; // Do not think spread out is supported
 
       int sshift[2];
-
       //////////////////////////
       // Underlying approach. For each local site build
       // up a table containing the npoint "neighbours" and whether they
@@ -811,6 +852,7 @@ public:
     GridBase *grid=_grid;
     const int Nsimd = grid->Nsimd();
 
+    int comms_recv      = this->_comms_recv[point];
     int fd              = _grid->_fdimensions[dimension];
     int ld              = _grid->_ldimensions[dimension];
     int rd              = _grid->_rdimensions[dimension];
@@ -867,7 +909,9 @@ public:
       if ( (shiftpm== 1) && (sx<x) && (grid->_processor_coor[dimension]==grid->_processors[dimension]-1) ) {
 	wraparound = 1;
       }
-      if (!offnode) {
+
+      // Wrap locally dirichlet support case OR node local
+      if ( (offnode==0) || (comms_recv==0)  ) {
 
 	int permute_slice=0;
 	CopyPlane(point,dimension,x,sx,cbmask,permute_slice,wraparound);
@@ -984,11 +1028,14 @@ public:
   }
 
   template<class compressor>
-  int Gather(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor & compress,int &face_idx)
+  int Gather(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor & compress,int &face_idx, int point)
   {
     typedef typename cobj::vector_type vector_type;
     typedef typename cobj::scalar_type scalar_type;
 
+    int comms_send   = this->_comms_send[point] ;
+    int comms_recv   = this->_comms_recv[point] ;
+
     assert(rhs.Grid()==_grid);
     //	  conformable(_grid,rhs.Grid());
 
@@ -1011,9 +1058,11 @@ public:
 
       int sx        = (x+sshift)%rd;
       int comm_proc = ((x+sshift)/rd)%pd;
-
+      
       if (comm_proc) {
 
+	
+	
 	int words = buffer_size;
 	if (cbmask != 0x3) words=words>>1;
 
@@ -1045,44 +1094,53 @@ public:
 	  recv_buf=this->u_recv_buf_p;
 	}
 
+
 	cobj *send_buf;
 	send_buf = this->u_send_buf_p; // Gather locally, must send
-
+	
 	////////////////////////////////////////////////////////
 	// Gather locally
 	////////////////////////////////////////////////////////
-	gathertime-=usecond();
 	assert(send_buf!=NULL);
-	Gather_plane_simple_table(face_table[face_idx],rhs,send_buf,compress,u_comm_offset,so); face_idx++;
-	gathertime+=usecond();
+	if ( comms_send ) 
+	  Gather_plane_simple_table(face_table[face_idx],rhs,send_buf,compress,u_comm_offset,so);
+	face_idx++;
 
-	///////////////////////////////////////////////////////////
-	// Build a list of things to do after we synchronise GPUs
-	// Start comms now???
-	///////////////////////////////////////////////////////////
-	AddPacket((void *)&send_buf[u_comm_offset],
-		  (void *)&recv_buf[u_comm_offset],
-		  xmit_to_rank,
-		  recv_from_rank,
-		  bytes);
+	int duplicate = CheckForDuplicate(dimension,sx,comm_proc,(void *)&recv_buf[u_comm_offset],0,bytes,cbmask);
+	if ( (!duplicate) ) { // Force comms for now
 
-	if ( compress.DecompressionStep() ) {
+	  ///////////////////////////////////////////////////////////
+	  // Build a list of things to do after we synchronise GPUs
+	  // Start comms now???
+	  ///////////////////////////////////////////////////////////
+	  AddPacket((void *)&send_buf[u_comm_offset],
+		    (void *)&recv_buf[u_comm_offset],
+		    xmit_to_rank, comms_send,
+		    recv_from_rank, comms_recv,
+		    bytes);
+	}
+	
+	if ( compress.DecompressionStep()  ) {
 	  AddDecompress(&this->u_recv_buf_p[u_comm_offset],
 			&recv_buf[u_comm_offset],
 			words,Decompressions);
 	}
 	u_comm_offset+=words;
-      }
+	}
     }
     return 0;
   }
 
   template<class compressor>
-  int  GatherSimd(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor &compress,int & face_idx)
+  int  GatherSimd(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor &compress,int & face_idx,int point)
   {
     const int Nsimd = _grid->Nsimd();
 
     const int maxl =2;// max layout in a direction
+
+    int comms_send   = this->_comms_send[point] ;
+    int comms_recv   = this->_comms_recv[point] ;
+
     int fd = _grid->_fdimensions[dimension];
     int rd = _grid->_rdimensions[dimension];
     int ld = _grid->_ldimensions[dimension];
@@ -1147,12 +1205,11 @@ public:
 				  &face_table[face_idx][0],
 				  face_table[face_idx].size()*sizeof(face_table_host[0]));
 	}
-	gathermtime-=usecond();
 
+	//	if ( comms_send )
 	Gather_plane_exchange_table(face_table[face_idx],rhs,spointers,dimension,sx,cbmask,compress,permute_type);
 	face_idx++;
 
-	gathermtime+=usecond();
 	//spointers[0] -- low
 	//spointers[1] -- high
 
@@ -1181,8 +1238,13 @@ public:
 
 	    rpointers[i] = rp;
 
-	    AddPacket((void *)sp,(void *)rp,xmit_to_rank,recv_from_rank,bytes);
-
+	    int duplicate = CheckForDuplicate(dimension,sx,nbr_proc,(void *)rp,i,bytes,cbmask);
+	    if ( !duplicate  ) { 
+	      AddPacket((void *)sp,(void *)rp,
+			xmit_to_rank,comms_send,
+			recv_from_rank,comms_recv,
+			bytes);
+	    }
 
 	  } else {
 

Grid/tensors/Tensor_exp.h

@@ -55,7 +55,7 @@ template<class vtype, int N> accelerator_inline iVector<vtype, N> Exponentiate(c
 
 
 // Specialisation: Cayley-Hamilton exponential for SU(3)
-#ifndef GRID_CUDA
+#ifndef GRID_ACCELERATED
 template<class vtype, typename std::enable_if< GridTypeMapper<vtype>::TensorLevel == 0>::type * =nullptr> 
 accelerator_inline iMatrix<vtype,3> Exponentiate(const iMatrix<vtype,3> &arg, RealD alpha  , Integer Nexp = DEFAULT_MAT_EXP )
 {

Grid/tensors/Tensor_extract_merge.h

@@ -208,46 +208,5 @@ void merge(vobj &vec,const ExtractPointerArray<sobj> &extracted, int offset)
 }
 
 
-
-//////////////////////////////////////////////////////////////////////////////////
-//Copy a single lane of a SIMD tensor type from one object to another
-//Output object must be of the same tensor type but may be of a different precision (i.e. it can have a different root data type)
-///////////////////////////////////////////////////////////////////////////////////
-template<class vobjOut, class vobjIn>
-accelerator_inline 
-void copyLane(vobjOut & __restrict__ vecOut, int lane_out, const vobjIn & __restrict__ vecIn, int lane_in)
-{
-  static_assert( std::is_same<typename vobjOut::DoublePrecision, typename vobjIn::DoublePrecision>::value == 1, "copyLane: tensor types must be the same" ); //if tensor types are same the DoublePrecision type must be the same
-
-  typedef typename vobjOut::vector_type ovector_type;  
-  typedef typename vobjIn::vector_type ivector_type;  
-  constexpr int owords=sizeof(vobjOut)/sizeof(ovector_type);
-  constexpr int iwords=sizeof(vobjIn)/sizeof(ivector_type);
-  static_assert( owords == iwords, "copyLane: Expected number of vector words in input and output objects to be equal" );
-
-  typedef typename vobjOut::scalar_type oscalar_type;  
-  typedef typename vobjIn::scalar_type iscalar_type;  
-  typedef typename ExtractTypeMap<oscalar_type>::extract_type oextract_type;
-  typedef typename ExtractTypeMap<iscalar_type>::extract_type iextract_type;
-
-  typedef oextract_type * opointer;
-  typedef iextract_type * ipointer;
-
-  constexpr int oNsimd=ovector_type::Nsimd();
-  constexpr int iNsimd=ivector_type::Nsimd();
-
-  iscalar_type itmp;
-  oscalar_type otmp;
-
-  opointer __restrict__  op = (opointer)&vecOut;
-  ipointer __restrict__  ip = (ipointer)&vecIn;
-  for(int w=0;w<owords;w++){
-    memcpy( (char*)&itmp, (char*)(ip + lane_in + iNsimd*w), sizeof(iscalar_type) );
-    otmp = itmp; //potential precision change
-    memcpy( (char*)(op + lane_out + oNsimd*w), (char*)&otmp, sizeof(oscalar_type) );
-  }
-}
-
-
 NAMESPACE_END(Grid);
 

Grid/threads/Accelerator.h

@@ -206,8 +206,7 @@ inline void *acceleratorAllocShared(size_t bytes)
   auto err = cudaMallocManaged((void **)&ptr,bytes);
   if( err != cudaSuccess ) {
     ptr = (void *) NULL;
-    printf(" cudaMallocManaged failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+    printf(" cudaMallocManaged failed for %d %s \n",bytes,cudaGetErrorString(err));
   }
   return ptr;
 };
@@ -217,47 +216,15 @@ inline void *acceleratorAllocDevice(size_t bytes)
   auto err = cudaMalloc((void **)&ptr,bytes);
   if( err != cudaSuccess ) {
     ptr = (void *) NULL;
-    printf(" cudaMalloc failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+    printf(" cudaMalloc failed for %d %s \n",bytes,cudaGetErrorString(err));
   }
   return ptr;
 };
-inline void acceleratorFreeShared(void *ptr){
-  auto err = cudaFree(ptr);
-  if( err != cudaSuccess ) {
-    printf(" cudaFree(Shared) failed %s \n",cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
-  }
-};
-inline void acceleratorFreeDevice(void *ptr){
-  auto err = cudaFree(ptr);
-  if( err != cudaSuccess ) {
-    printf(" cudaFree(Device) failed %s \n",cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
-  }
-};
-inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  {
-  auto err = cudaMemcpy(to,from,bytes, cudaMemcpyHostToDevice);
-  if( err != cudaSuccess ) {
-    printf(" cudaMemcpy(host->device) failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
-  }
-}
-inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){
-  auto err = cudaMemcpy(to,from,bytes, cudaMemcpyDeviceToHost);
-  if( err != cudaSuccess ) {
-    printf(" cudaMemcpy(device->host) failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
-  }
-}
-inline void acceleratorMemSet(void *base,int value,size_t bytes) {
-  auto err = cudaMemset(base,value,bytes);
-  if( err != cudaSuccess ) {
-    printf(" cudaMemSet failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
-  }
-}
-
+inline void acceleratorFreeShared(void *ptr){ cudaFree(ptr);};
+inline void acceleratorFreeDevice(void *ptr){ cudaFree(ptr);};
+inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { cudaMemcpy(to,from,bytes, cudaMemcpyHostToDevice);}
+inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ cudaMemcpy(to,from,bytes, cudaMemcpyDeviceToHost);}
+inline void acceleratorMemSet(void *base,int value,size_t bytes) { cudaMemset(base,value,bytes);}
 inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes) // Asynch
 {
   cudaMemcpyAsync(to,from,bytes, cudaMemcpyDeviceToDevice,copyStream);
@@ -474,7 +441,7 @@ inline void acceleratorMemSet(void *base,int value,size_t bytes) { hipMemset(bas
 
 inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes) // Asynch
 {
-  hipMemcpyAsync(to,from,bytes, hipMemcpyDeviceToDevice,copyStream);
+  hipMemcpy(to,from,bytes, hipMemcpyDeviceToDevice);
 }
 inline void acceleratorCopySynchronise(void) { hipStreamSynchronize(copyStream); };
 
@@ -494,6 +461,8 @@ inline void acceleratorCopySynchronise(void) { hipStreamSynchronize(copyStream);
   accelerator_for2dNB(iter1, num1, iter2, num2, nsimd, { __VA_ARGS__ } ); \
   accelerator_barrier(dummy);
 
+#define GRID_ACCELERATED
+
 #endif
 
 //////////////////////////////////////////////
@@ -514,9 +483,10 @@ inline void acceleratorCopySynchronise(void) { hipStreamSynchronize(copyStream);
 #define accelerator_for2d(iter1, num1, iter2, num2, nsimd, ... ) thread_for2d(iter1,num1,iter2,num2,{ __VA_ARGS__ });
 
 accelerator_inline int acceleratorSIMTlane(int Nsimd) { return 0; } // CUDA specific
-inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { memcpy(to,from,bytes);}
-inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ memcpy(to,from,bytes);}
-inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  { memcpy(to,from,bytes);}
+
+inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { thread_bcopy(from,to,bytes); }
+inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ thread_bcopy(from,to,bytes);}
+inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  { thread_bcopy(from,to,bytes);}
 inline void acceleratorCopySynchronise(void) {};
 
 inline int  acceleratorIsCommunicable(void *ptr){ return 1; }

Grid/threads/Threads.h

@@ -72,3 +72,20 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #define thread_region                                       DO_PRAGMA(omp parallel)
 #define thread_critical                                     DO_PRAGMA(omp critical)
 
+#ifdef GRID_OMP
+inline void thread_bcopy(void *from, void *to,size_t bytes)
+{
+  uint64_t *ufrom = (uint64_t *)from;
+  uint64_t *uto   = (uint64_t *)to;
+  assert(bytes%8==0);
+  uint64_t words=bytes/8;
+  thread_for(w,words,{
+      uto[w] = ufrom[w];
+  });
+}
+#else
+inline void thread_bcopy(void *from, void *to,size_t bytes)
+{
+  bcopy(from,to,bytes);
+}
+#endif

HMC/DWF2p1fIwasakiGparity.cc

@@ -1,473 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./HMC/DWF2p1fIwasakiGparity.cc
-
-Copyright (C) 2015-2016
-
-Author: Christopher Kelly <ckelly@bnl.gov>
-Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
-
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/Grid.h>
-
-using namespace Grid;
-
-//2+1f DWF+I ensemble with G-parity BCs
-//designed to reproduce ensembles in https://arxiv.org/pdf/1908.08640.pdf
-struct RatQuoParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
-				  double, bnd_lo,
-				  double, bnd_hi,
-				  Integer, action_degree,
-				  double, action_tolerance,
-				  Integer, md_degree,
-				  double, md_tolerance,
-				  Integer, reliable_update_freq,
-				  Integer, bnd_check_freq);
-  RatQuoParameters() { 
-    bnd_lo = 1e-2;
-    bnd_hi = 30;
-    action_degree = 10;
-    action_tolerance = 1e-10;
-    md_degree = 10;
-    md_tolerance = 1e-8;
-    bnd_check_freq = 20;
-    reliable_update_freq = 50;
-  }
-
-  void Export(RationalActionParams &into) const{
-    into.lo = bnd_lo;
-    into.hi = bnd_hi;
-    into.action_degree = action_degree;
-    into.action_tolerance = action_tolerance;
-    into.md_degree = md_degree;
-    into.md_tolerance = md_tolerance;
-    into.BoundsCheckFreq = bnd_check_freq;
-  }
-};
-
-
-struct EvolParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
-                                  Integer, StartTrajectory,
-                                  Integer, Trajectories,
-				  Integer, SaveInterval,
-				  Integer, Steps,
-                                  bool, MetropolisTest,
-				  std::string, StartingType,
-				  std::vector<Integer>, GparityDirs,
-				  RatQuoParameters, rat_quo_l,
-				  RatQuoParameters, rat_quo_s);
-
-  EvolParameters() {
-    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
-    MetropolisTest    = false;
-    StartTrajectory   = 0;
-    Trajectories      = 50;
-    SaveInterval = 5;
-    StartingType      = "ColdStart";
-    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
-    Steps = 5;
-  }
-};
-
-bool fileExists(const std::string &fn){
-  std::ifstream f(fn);
-  return f.good();
-}
-
-
-
-
-struct LanczosParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
-				  double, alpha,
-				  double, beta,
-				  double, mu,
-				  int, ord,
-				  int, n_stop,
-				  int, n_want,
-				  int, n_use,
-				  double, tolerance);
-
-  LanczosParameters() {
-    alpha = 35;
-    beta = 5;
-    mu = 0;
-    ord = 100;
-    n_stop = 10;
-    n_want = 10;
-    n_use = 15;
-    tolerance = 1e-6;
-  }
-};
-
-
-
-template<typename FermionActionD, typename FermionFieldD>
-void computeEigenvalues(std::string param_file,
-			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
-			FermionActionD &action, GridParallelRNG &rng){
-  
-  LanczosParameters params;
-  if(fileExists(param_file)){
-    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
-    Grid::XmlReader rd(param_file);
-    read(rd, "LanczosParameters", params);
-  }else if(!GlobalSharedMemory::WorldRank){
-    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
-    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
-    Grid::XmlWriter wr(param_file + ".templ");
-    write(wr, "LanczosParameters", params);
-  }
-
-  FermionFieldD gauss_o(rbGrid);
-  FermionFieldD gauss(Grid);
-  gaussian(rng, gauss);
-  pickCheckerboard(Odd, gauss_o, gauss);
-
-  action.ImportGauge(latt);
-
-  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
-  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
-  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
-  assert(params.mu == 0.0);
-
-  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
-  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
-
-  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
-  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
-
-  std::vector<RealD> eval(params.n_use);
-  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
-  int Nconv;
-  IRL.calc(eval, evec, gauss_o, Nconv);
-
-  std::cout << "Eigenvalues:" << std::endl;
-  for(int i=0;i<params.n_want;i++){
-    std::cout << i << " " << eval[i] << std::endl;
-  }
-}
-
-
-//Check the quality of the RHMC approx
-template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
-void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
-	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
-	       int inv_pow, const std::string &quark_descr){
-
-  FermionFieldD gauss_o(rbGrid);
-  FermionFieldD gauss(Grid);
-  gaussian(rng, gauss);
-  pickCheckerboard(Odd, gauss_o, gauss);
-
-  numOp.ImportGauge(latt);
-  denOp.ImportGauge(latt);
-
-  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
-  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
-  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
-      
-  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
-  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
-  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
-  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
-  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-
-  std::cout << "-------------------------------------------------------------------------------" << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
-  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
-  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
-  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
-  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-}
-
-
-
-
-
-
-
-
-
-int main(int argc, char **argv) {
-  Grid_init(&argc, &argv);
-  int threads = GridThread::GetThreads();
-  // here make a routine to print all the relevant information on the run
-  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
-
-  std::string param_file = "params.xml";
-  bool file_load_check = false;
-  for(int i=1;i<argc;i++){
-    std::string sarg(argv[i]);
-    if(sarg == "--param_file"){
-      assert(i!=argc-1);
-      param_file = argv[i+1];
-    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
-      file_load_check = true;
-    }
-  }
-
-  //Read the user parameters
-  EvolParameters user_params;
-  
-  if(fileExists(param_file)){
-    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
-    Grid::XmlReader rd(param_file);
-    read(rd, "Params", user_params);
-  }else if(!GlobalSharedMemory::WorldRank){
-    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
-    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
-    Grid::XmlWriter wr(param_file + ".templ");
-    write(wr, "Params", user_params);
-
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-  //Check the parameters
-  if(user_params.GparityDirs.size() != Nd-1){
-    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
-    exit(1);
-  }
-  for(int i=0;i<Nd-1;i++)
-    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
-      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
-      exit(1);
-    }
-
-   // Typedefs to simplify notation
-  typedef GparityDomainWallFermionD FermionActionD;
-  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
-  typedef typename FermionActionD::FermionField FermionFieldD;
-
-  typedef GparityDomainWallFermionF FermionActionF;
-  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
-  typedef typename FermionActionF::FermionField FermionFieldF;
-
-  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
-  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
-
-  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
-  IntegratorParameters MD;
-  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
-  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
-  MD.name    = std::string("MinimumNorm2");
-  MD.MDsteps = user_params.Steps;
-  MD.trajL   = 1.0;
-
-  HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = user_params.StartTrajectory;
-  HMCparams.Trajectories     = user_params.Trajectories;
-  HMCparams.NoMetropolisUntil= 0;
-  HMCparams.StartingType     = user_params.StartingType;
-  HMCparams.MetropolisTest = user_params.MetropolisTest;
-  HMCparams.MD = MD;
-  HMCWrapper TheHMC(HMCparams);
-
-  // Grid from the command line arguments --grid and --mpi
-  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
-
-  CheckpointerParameters CPparams;
-  CPparams.config_prefix = "ckpoint_lat";
-  CPparams.rng_prefix    = "ckpoint_rng";
-  CPparams.saveInterval  = user_params.SaveInterval;
-  CPparams.format        = "IEEE64BIG";
-  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
-
-  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
-  RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = "1 2 3 4 5";
-  RNGpar.parallel_seeds = "6 7 8 9 10";
-  TheHMC.Resources.SetRNGSeeds(RNGpar);
-
-  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
-  TheHMC.Resources.AddObservable<PlaqObs>();
-  //////////////////////////////////////////////
-
-  const int Ls      = 16;
-  Real beta         = 2.13;
-  Real light_mass   = 0.01;
-  Real strange_mass = 0.032;
-  Real pv_mass      = 1.0;
-  RealD M5  = 1.8;
-
-  //Setup the Grids
-  auto GridPtrD   = TheHMC.Resources.GetCartesian();
-  auto GridRBPtrD = TheHMC.Resources.GetRBCartesian();
-  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrD);
-  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrD);
-
-  GridCartesian* GridPtrF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
-  GridRedBlackCartesian* GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
-  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrF);
-  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrF);
-
-  ConjugateIwasakiGaugeActionD GaugeAction(beta);
-
-  // temporarily need a gauge field
-  LatticeGaugeFieldD Ud(GridPtrD);
-  LatticeGaugeFieldF Uf(GridPtrF);
- 
-  //Setup the BCs
-  FermionActionD::ImplParams Params;
-  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
-  Params.twists[Nd-1] = 1; //APBC in time direction
-
-  std::vector<int> dirs4(Nd);
-  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
-  dirs4[Nd-1] = 0; //periodic gauge BC in time
-
-  GaugeImplPolicy::setDirections(dirs4); //gauge BC
-
-  //Run optional gauge field checksum checker and exit
-  if(file_load_check){
-    TheHMC.initializeGaugeFieldAndRNGs(Ud);
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-
-  ////////////////////////////////////
-  // Collect actions
-  ////////////////////////////////////
-  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
-  ActionLevel<HMCWrapper::Field> Level2(8); //gauge (8 increments per step)
-
-
-  /////////////////////////////////////////////////////////////
-  // Light action
-  /////////////////////////////////////////////////////////////
-
-  FermionActionD Numerator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, light_mass,M5,Params);
-  FermionActionD Denominator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
-
-  FermionActionF Numerator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, light_mass,M5,Params);
-  FermionActionF Denominator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
-
-  RationalActionParams rat_act_params_l;
-  rat_act_params_l.inv_pow  = 2; // (M^dag M)^{1/2}
-  rat_act_params_l.precision= 60;
-  rat_act_params_l.MaxIter  = 10000;
-  user_params.rat_quo_l.Export(rat_act_params_l);
-  std::cout << GridLogMessage << " Light quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
- 
-  MixedPrecRHMC Quotient_l(Denominator_lD, Numerator_lD, Denominator_lF, Numerator_lF, rat_act_params_l, user_params.rat_quo_l.reliable_update_freq);
-  //DoublePrecRHMC Quotient_l(Denominator_lD, Numerator_lD, rat_act_params_l);
-  Level1.push_back(&Quotient_l);
-
-
-  ////////////////////////////////////
-  // Strange action
-  ////////////////////////////////////
-  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD,strange_mass,M5,Params);
-  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
-
-  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,strange_mass,M5,Params);
-  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
-
-  RationalActionParams rat_act_params_s;
-  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
-  rat_act_params_s.precision= 60;
-  rat_act_params_s.MaxIter  = 10000;
-  user_params.rat_quo_s.Export(rat_act_params_s);
-  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
-
-  MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
-  //DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
-  Level1.push_back(&Quotient_s);  
-
-
-  /////////////////////////////////////////////////////////////
-  // Gauge action
-  /////////////////////////////////////////////////////////////
-  Level2.push_back(&GaugeAction);
-  TheHMC.TheAction.push_back(Level1);
-  TheHMC.TheAction.push_back(Level2);
-  std::cout << GridLogMessage << " Action complete "<< std::endl;
-
-
-  //Action tuning
-  bool tune_rhmc_l=false, tune_rhmc_s=false, eigenrange_l=false, eigenrange_s=false; 
-  std::string lanc_params_l, lanc_params_s;
-  for(int i=1;i<argc;i++){
-    std::string sarg(argv[i]);
-    if(sarg == "--tune_rhmc_l") tune_rhmc_l=true;
-    else if(sarg == "--tune_rhmc_s") tune_rhmc_s=true;
-    else if(sarg == "--eigenrange_l"){
-      assert(i < argc-1);
-      eigenrange_l=true;
-      lanc_params_l = argv[i+1];
-    }
-    else if(sarg == "--eigenrange_s"){
-      assert(i < argc-1);
-      eigenrange_s=true;
-      lanc_params_s = argv[i+1];
-    }
-  }
-  if(tune_rhmc_l || tune_rhmc_s || eigenrange_l || eigenrange_s){
-    TheHMC.initializeGaugeFieldAndRNGs(Ud);
-    if(eigenrange_l) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_l, FGridD, FrbGridD, Ud, Numerator_lD, TheHMC.Resources.GetParallelRNG());
-    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
-    if(tune_rhmc_l) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_l)>(FGridD, FrbGridD, Ud, Numerator_lD, Denominator_lD, Quotient_l, TheHMC.Resources.GetParallelRNG(), 2, "light");
-    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange");
-
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-
-  //Run the HMC
-  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
-  TheHMC.Run();
-
-  std::cout << GridLogMessage << " Done" << std::endl;
-  Grid_finalize();
-  return 0;
-} // main
-

HMC/DWF2p1fIwasakiGparityRHMCdouble.cc

@@ -1,473 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./HMC/DWF2p1fIwasakiGparity.cc
-
-Copyright (C) 2015-2016
-
-Author: Christopher Kelly <ckelly@bnl.gov>
-Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
-
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/Grid.h>
-
-using namespace Grid;
-
-//2+1f DWF+I ensemble with G-parity BCs
-//designed to reproduce ensembles in https://arxiv.org/pdf/1908.08640.pdf
-struct RatQuoParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
-				  double, bnd_lo,
-				  double, bnd_hi,
-				  Integer, action_degree,
-				  double, action_tolerance,
-				  Integer, md_degree,
-				  double, md_tolerance,
-				  Integer, reliable_update_freq,
-				  Integer, bnd_check_freq);
-  RatQuoParameters() { 
-    bnd_lo = 1e-2;
-    bnd_hi = 30;
-    action_degree = 10;
-    action_tolerance = 1e-10;
-    md_degree = 10;
-    md_tolerance = 1e-8;
-    bnd_check_freq = 20;
-    reliable_update_freq = 50;
-  }
-
-  void Export(RationalActionParams &into) const{
-    into.lo = bnd_lo;
-    into.hi = bnd_hi;
-    into.action_degree = action_degree;
-    into.action_tolerance = action_tolerance;
-    into.md_degree = md_degree;
-    into.md_tolerance = md_tolerance;
-    into.BoundsCheckFreq = bnd_check_freq;
-  }
-};
-
-
-struct EvolParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
-                                  Integer, StartTrajectory,
-                                  Integer, Trajectories,
-				  Integer, SaveInterval,
-				  Integer, Steps,
-                                  bool, MetropolisTest,
-				  std::string, StartingType,
-				  std::vector<Integer>, GparityDirs,
-				  RatQuoParameters, rat_quo_l,
-				  RatQuoParameters, rat_quo_s);
-
-  EvolParameters() {
-    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
-    MetropolisTest    = false;
-    StartTrajectory   = 0;
-    Trajectories      = 50;
-    SaveInterval = 5;
-    StartingType      = "ColdStart";
-    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
-    Steps = 5;
-  }
-};
-
-bool fileExists(const std::string &fn){
-  std::ifstream f(fn);
-  return f.good();
-}
-
-
-
-
-struct LanczosParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
-				  double, alpha,
-				  double, beta,
-				  double, mu,
-				  int, ord,
-				  int, n_stop,
-				  int, n_want,
-				  int, n_use,
-				  double, tolerance);
-
-  LanczosParameters() {
-    alpha = 35;
-    beta = 5;
-    mu = 0;
-    ord = 100;
-    n_stop = 10;
-    n_want = 10;
-    n_use = 15;
-    tolerance = 1e-6;
-  }
-};
-
-
-
-template<typename FermionActionD, typename FermionFieldD>
-void computeEigenvalues(std::string param_file,
-			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
-			FermionActionD &action, GridParallelRNG &rng){
-  
-  LanczosParameters params;
-  if(fileExists(param_file)){
-    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
-    Grid::XmlReader rd(param_file);
-    read(rd, "LanczosParameters", params);
-  }else if(!GlobalSharedMemory::WorldRank){
-    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
-    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
-    Grid::XmlWriter wr(param_file + ".templ");
-    write(wr, "LanczosParameters", params);
-  }
-
-  FermionFieldD gauss_o(rbGrid);
-  FermionFieldD gauss(Grid);
-  gaussian(rng, gauss);
-  pickCheckerboard(Odd, gauss_o, gauss);
-
-  action.ImportGauge(latt);
-
-  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
-  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
-  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
-  assert(params.mu == 0.0);
-
-  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
-  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
-
-  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
-  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
-
-  std::vector<RealD> eval(params.n_use);
-  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
-  int Nconv;
-  IRL.calc(eval, evec, gauss_o, Nconv);
-
-  std::cout << "Eigenvalues:" << std::endl;
-  for(int i=0;i<params.n_want;i++){
-    std::cout << i << " " << eval[i] << std::endl;
-  }
-}
-
-
-//Check the quality of the RHMC approx
-template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
-void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
-	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
-	       int inv_pow, const std::string &quark_descr){
-
-  FermionFieldD gauss_o(rbGrid);
-  FermionFieldD gauss(Grid);
-  gaussian(rng, gauss);
-  pickCheckerboard(Odd, gauss_o, gauss);
-
-  numOp.ImportGauge(latt);
-  denOp.ImportGauge(latt);
-
-  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
-  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
-  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
-      
-  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
-  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
-  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
-  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
-  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-
-  std::cout << "-------------------------------------------------------------------------------" << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
-  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
-  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
-  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-
-  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
-  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-}
-
-
-
-
-
-
-
-
-
-int main(int argc, char **argv) {
-  Grid_init(&argc, &argv);
-  int threads = GridThread::GetThreads();
-  // here make a routine to print all the relevant information on the run
-  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
-
-  std::string param_file = "params.xml";
-  bool file_load_check = false;
-  for(int i=1;i<argc;i++){
-    std::string sarg(argv[i]);
-    if(sarg == "--param_file"){
-      assert(i!=argc-1);
-      param_file = argv[i+1];
-    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
-      file_load_check = true;
-    }
-  }
-
-  //Read the user parameters
-  EvolParameters user_params;
-  
-  if(fileExists(param_file)){
-    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
-    Grid::XmlReader rd(param_file);
-    read(rd, "Params", user_params);
-  }else if(!GlobalSharedMemory::WorldRank){
-    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
-    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
-    Grid::XmlWriter wr(param_file + ".templ");
-    write(wr, "Params", user_params);
-
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-  //Check the parameters
-  if(user_params.GparityDirs.size() != Nd-1){
-    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
-    exit(1);
-  }
-  for(int i=0;i<Nd-1;i++)
-    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
-      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
-      exit(1);
-    }
-
-   // Typedefs to simplify notation
-  typedef GparityDomainWallFermionD FermionActionD;
-  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
-  typedef typename FermionActionD::FermionField FermionFieldD;
-
-  typedef GparityDomainWallFermionF FermionActionF;
-  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
-  typedef typename FermionActionF::FermionField FermionFieldF;
-
-  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
-  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
-
-  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
-  IntegratorParameters MD;
-  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
-  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
-  MD.name    = std::string("MinimumNorm2");
-  MD.MDsteps = user_params.Steps;
-  MD.trajL   = 1.0;
-
-  HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = user_params.StartTrajectory;
-  HMCparams.Trajectories     = user_params.Trajectories;
-  HMCparams.NoMetropolisUntil= 0;
-  HMCparams.StartingType     = user_params.StartingType;
-  HMCparams.MetropolisTest = user_params.MetropolisTest;
-  HMCparams.MD = MD;
-  HMCWrapper TheHMC(HMCparams);
-
-  // Grid from the command line arguments --grid and --mpi
-  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
-
-  CheckpointerParameters CPparams;
-  CPparams.config_prefix = "ckpoint_lat";
-  CPparams.rng_prefix    = "ckpoint_rng";
-  CPparams.saveInterval  = user_params.SaveInterval;
-  CPparams.format        = "IEEE64BIG";
-  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
-
-  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
-  RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = "1 2 3 4 5";
-  RNGpar.parallel_seeds = "6 7 8 9 10";
-  TheHMC.Resources.SetRNGSeeds(RNGpar);
-
-  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
-  TheHMC.Resources.AddObservable<PlaqObs>();
-  //////////////////////////////////////////////
-
-  const int Ls      = 16;
-  Real beta         = 2.13;
-  Real light_mass   = 0.01;
-  Real strange_mass = 0.032;
-  Real pv_mass      = 1.0;
-  RealD M5  = 1.8;
-
-  //Setup the Grids
-  auto GridPtrD   = TheHMC.Resources.GetCartesian();
-  auto GridRBPtrD = TheHMC.Resources.GetRBCartesian();
-  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrD);
-  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrD);
-
-  GridCartesian* GridPtrF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
-  GridRedBlackCartesian* GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
-  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrF);
-  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrF);
-
-  ConjugateIwasakiGaugeActionD GaugeAction(beta);
-
-  // temporarily need a gauge field
-  LatticeGaugeFieldD Ud(GridPtrD);
-  LatticeGaugeFieldF Uf(GridPtrF);
- 
-  //Setup the BCs
-  FermionActionD::ImplParams Params;
-  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
-  Params.twists[Nd-1] = 1; //APBC in time direction
-
-  std::vector<int> dirs4(Nd);
-  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
-  dirs4[Nd-1] = 0; //periodic gauge BC in time
-
-  GaugeImplPolicy::setDirections(dirs4); //gauge BC
-
-  //Run optional gauge field checksum checker and exit
-  if(file_load_check){
-    TheHMC.initializeGaugeFieldAndRNGs(Ud);
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-
-  ////////////////////////////////////
-  // Collect actions
-  ////////////////////////////////////
-  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
-  ActionLevel<HMCWrapper::Field> Level2(8); //gauge (8 increments per step)
-
-
-  /////////////////////////////////////////////////////////////
-  // Light action
-  /////////////////////////////////////////////////////////////
-
-  FermionActionD Numerator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, light_mass,M5,Params);
-  FermionActionD Denominator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
-
-  FermionActionF Numerator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, light_mass,M5,Params);
-  FermionActionF Denominator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
-
-  RationalActionParams rat_act_params_l;
-  rat_act_params_l.inv_pow  = 2; // (M^dag M)^{1/2}
-  rat_act_params_l.precision= 60;
-  rat_act_params_l.MaxIter  = 10000;
-  user_params.rat_quo_l.Export(rat_act_params_l);
-  std::cout << GridLogMessage << " Light quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
- 
-  //MixedPrecRHMC Quotient_l(Denominator_lD, Numerator_lD, Denominator_lF, Numerator_lF, rat_act_params_l, user_params.rat_quo_l.reliable_update_freq);
-  DoublePrecRHMC Quotient_l(Denominator_lD, Numerator_lD, rat_act_params_l);
-  Level1.push_back(&Quotient_l);
-
-
-  ////////////////////////////////////
-  // Strange action
-  ////////////////////////////////////
-  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD,strange_mass,M5,Params);
-  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
-
-  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,strange_mass,M5,Params);
-  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
-
-  RationalActionParams rat_act_params_s;
-  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
-  rat_act_params_s.precision= 60;
-  rat_act_params_s.MaxIter  = 10000;
-  user_params.rat_quo_s.Export(rat_act_params_s);
-  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
-
-  //MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
-  DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
-  Level1.push_back(&Quotient_s);  
-
-
-  /////////////////////////////////////////////////////////////
-  // Gauge action
-  /////////////////////////////////////////////////////////////
-  Level2.push_back(&GaugeAction);
-  TheHMC.TheAction.push_back(Level1);
-  TheHMC.TheAction.push_back(Level2);
-  std::cout << GridLogMessage << " Action complete "<< std::endl;
-
-
-  //Action tuning
-  bool tune_rhmc_l=false, tune_rhmc_s=false, eigenrange_l=false, eigenrange_s=false; 
-  std::string lanc_params_l, lanc_params_s;
-  for(int i=1;i<argc;i++){
-    std::string sarg(argv[i]);
-    if(sarg == "--tune_rhmc_l") tune_rhmc_l=true;
-    else if(sarg == "--tune_rhmc_s") tune_rhmc_s=true;
-    else if(sarg == "--eigenrange_l"){
-      assert(i < argc-1);
-      eigenrange_l=true;
-      lanc_params_l = argv[i+1];
-    }
-    else if(sarg == "--eigenrange_s"){
-      assert(i < argc-1);
-      eigenrange_s=true;
-      lanc_params_s = argv[i+1];
-    }
-  }
-  if(tune_rhmc_l || tune_rhmc_s || eigenrange_l || eigenrange_s){
-    TheHMC.initializeGaugeFieldAndRNGs(Ud);
-    if(eigenrange_l) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_l, FGridD, FrbGridD, Ud, Numerator_lD, TheHMC.Resources.GetParallelRNG());
-    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
-    if(tune_rhmc_l) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_l)>(FGridD, FrbGridD, Ud, Numerator_lD, Denominator_lD, Quotient_l, TheHMC.Resources.GetParallelRNG(), 2, "light");
-    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange");
-
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-
-  //Run the HMC
-  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
-  TheHMC.Run();
-
-  std::cout << GridLogMessage << " Done" << std::endl;
-  Grid_finalize();
-  return 0;
-} // main
-

HMC/Mobius2p1fIDSDRGparityEOFA.cc

@@ -1,765 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./HMC/Mobius2p1fIDSDRGparityEOFA.cc
-
-Copyright (C) 2015-2016
-
-Author: Christopher Kelly <ckelly@bnl.gov>
-Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
-
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/Grid.h>
-
-using namespace Grid;
-
-//We try to reproduce with G-parity BCs the 246 MeV 1.37 GeV ensemble
-//To speed things up we will use Mobius DWF with b+c=32/12 and Ls=12 to match the Ls=32 of the original
-//These parameters match those used in the 2020 K->pipi paper
-
-struct RatQuoParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
-				  double, bnd_lo,
-				  double, bnd_hi,
-				  Integer, action_degree,
-				  double, action_tolerance,
-				  Integer, md_degree,
-				  double, md_tolerance,
-				  Integer, reliable_update_freq,
-				  Integer, bnd_check_freq);
-  RatQuoParameters() { 
-    bnd_lo = 1e-2;
-    bnd_hi = 30;
-    action_degree = 10;
-    action_tolerance = 1e-10;
-    md_degree = 10;
-    md_tolerance = 1e-8;
-    bnd_check_freq = 20;
-    reliable_update_freq = 50;
-  }
-
-  void Export(RationalActionParams &into) const{
-    into.lo = bnd_lo;
-    into.hi = bnd_hi;
-    into.action_degree = action_degree;
-    into.action_tolerance = action_tolerance;
-    into.md_degree = md_degree;
-    into.md_tolerance = md_tolerance;
-    into.BoundsCheckFreq = bnd_check_freq;
-  }
-};
-
-struct EOFAparameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(EOFAparameters,
-				  OneFlavourRationalParams, rat_params,
-				  double, action_tolerance,
-				  double, action_mixcg_inner_tolerance,
-				  double, md_tolerance,
-				  double, md_mixcg_inner_tolerance);
-
-  EOFAparameters() { 
-    action_mixcg_inner_tolerance = 1e-8;
-    action_tolerance = 1e-10;
-    md_tolerance = 1e-8;
-    md_mixcg_inner_tolerance = 1e-8;
-
-    rat_params.lo = 0.1;
-    rat_params.hi = 25.0;
-    rat_params.MaxIter  = 10000;
-    rat_params.tolerance= 1.0e-9;
-    rat_params.degree   = 14;
-    rat_params.precision= 50;
-  }
-};
-
-struct EvolParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
-                                  Integer, StartTrajectory,
-                                  Integer, Trajectories,
-				  Integer, SaveInterval,
-				  Integer, Steps,
-                                  bool, MetropolisTest,
-				  std::string, StartingType,
-				  std::vector<Integer>, GparityDirs,
-				  EOFAparameters, eofa_l,
-				  RatQuoParameters, rat_quo_s,
-				  RatQuoParameters, rat_quo_DSDR);
-
-  EvolParameters() {
-    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
-    MetropolisTest    = false;
-    StartTrajectory   = 0;
-    Trajectories      = 50;
-    SaveInterval = 5;
-    StartingType      = "ColdStart";
-    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
-    Steps = 5;
-  }
-};
-
-bool fileExists(const std::string &fn){
-  std::ifstream f(fn);
-  return f.good();
-}
-
-
-
-
-struct LanczosParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
-				  double, alpha,
-				  double, beta,
-				  double, mu,
-				  int, ord,
-				  int, n_stop,
-				  int, n_want,
-				  int, n_use,
-				  double, tolerance);
-
-  LanczosParameters() {
-    alpha = 35;
-    beta = 5;
-    mu = 0;
-    ord = 100;
-    n_stop = 10;
-    n_want = 10;
-    n_use = 15;
-    tolerance = 1e-6;
-  }
-};
-
-
-
-template<typename FermionActionD, typename FermionFieldD>
-void computeEigenvalues(std::string param_file,
-			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
-			FermionActionD &action, GridParallelRNG &rng){
-  
-  LanczosParameters params;
-  if(fileExists(param_file)){
-    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
-    Grid::XmlReader rd(param_file);
-    read(rd, "LanczosParameters", params);
-  }else if(!GlobalSharedMemory::WorldRank){
-    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
-    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
-    Grid::XmlWriter wr(param_file + ".templ");
-    write(wr, "LanczosParameters", params);
-  }
-
-  FermionFieldD gauss_o(rbGrid);
-  FermionFieldD gauss(Grid);
-  gaussian(rng, gauss);
-  pickCheckerboard(Odd, gauss_o, gauss);
-
-  action.ImportGauge(latt);
-
-  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
-  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
-  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
-  assert(params.mu == 0.0);
-
-  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
-  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
-
-  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
-  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
-
-  std::vector<RealD> eval(params.n_use);
-  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
-  int Nconv;
-  IRL.calc(eval, evec, gauss_o, Nconv);
-
-  std::cout << "Eigenvalues:" << std::endl;
-  for(int i=0;i<params.n_want;i++){
-    std::cout << i << " " << eval[i] << std::endl;
-  }
-}
-
-
-//Check the quality of the RHMC approx
-//action_or_md toggles checking the action (0), MD (1) or both (2) setups
-template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
-void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
-	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
-	       int inv_pow, const std::string &quark_descr, int action_or_md){
-  assert(action_or_md == 0 || action_or_md == 1 || action_or_md == 2);
-  
-  FermionFieldD gauss_o(rbGrid);
-  FermionFieldD gauss(Grid);
-  gaussian(rng, gauss);
-  pickCheckerboard(Odd, gauss_o, gauss);
-
-  numOp.ImportGauge(latt);
-  denOp.ImportGauge(latt);
-
-  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
-  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
-  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
-
-  PowerMethod<FermionFieldD> power_method;
-  RealD lambda_max;
-
-  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " numerator" << std::endl;
-
-  lambda_max = power_method(MdagM,gauss_o);
-  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
-
-  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " denominator" << std::endl;
-  lambda_max = power_method(VdagV,gauss_o);
-  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
-
-  if(action_or_md == 0 || action_or_md == 2){
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-  }
-
-  std::cout << "-------------------------------------------------------------------------------" << std::endl;
-
-  if(action_or_md == 1 || action_or_md == 2){
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-  }
-}
-
-
-template<typename FermionImplPolicy>
-void checkEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
-	       GridCartesian* FGrid, GridParallelRNG &rng, const LatticeGaugeFieldD &latt){
-  std::cout << GridLogMessage << "Starting EOFA action/bounds check" << std::endl;
-  typename FermionImplPolicy::FermionField eta(FGrid);
-  RealD scale = std::sqrt(0.5);
-  gaussian(rng,eta); eta = eta * scale;
-
-  //Use the inbuilt check
-  EOFA.refresh(latt, eta);
-  EOFA.S(latt);
-  std::cout << GridLogMessage << "Finished EOFA upper action/bounds check" << std::endl;
-}
-
-
-template<typename FermionImplPolicy>
-class EOFAlinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
-  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
-  LatticeGaugeFieldD &U;
-public:
-  EOFAlinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
-
-  typedef typename FermionImplPolicy::FermionField Field;
-  void OpDiag (const Field &in, Field &out){ assert(0); }
-  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
-  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
-
-  void Op     (const Field &in, Field &out){ assert(0); }
-  void AdjOp  (const Field &in, Field &out){ assert(0); }
-  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
-  void HermOp(const Field &in, Field &out){ EOFA.Meofa(U, in, out); }
-};
-
-template<typename FermionImplPolicy>
-void upperBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
-		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
-  std::cout << GridLogMessage << "Starting EOFA upper bound compute" << std::endl;
-  EOFAlinop<FermionImplPolicy> linop(EOFA, latt);
-  typename FermionImplPolicy::FermionField eta(FGrid);
-  gaussian(rng,eta);
-  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
-  auto lambda_max = power_method(linop,eta);
-  std::cout << GridLogMessage << "Upper bound of EOFA operator " << lambda_max << std::endl;
-}
-
-//Applications of M^{-1} cost the same as M for EOFA!
-template<typename FermionImplPolicy>
-class EOFAinvLinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
-  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
-  LatticeGaugeFieldD &U;
-public:
-  EOFAinvLinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
-
-  typedef typename FermionImplPolicy::FermionField Field;
-  void OpDiag (const Field &in, Field &out){ assert(0); }
-  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
-  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
-
-  void Op     (const Field &in, Field &out){ assert(0); }
-  void AdjOp  (const Field &in, Field &out){ assert(0); }
-  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
-  void HermOp(const Field &in, Field &out){ EOFA.MeofaInv(U, in, out); }
-};
-
-template<typename FermionImplPolicy>
-void lowerBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
-		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
-  std::cout << GridLogMessage << "Starting EOFA lower bound compute using power method on M^{-1}. Inverse of highest eigenvalue is the lowest eigenvalue of M" << std::endl;
-  EOFAinvLinop<FermionImplPolicy> linop(EOFA, latt);
-  typename FermionImplPolicy::FermionField eta(FGrid);
-  gaussian(rng,eta);
-  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
-  auto lambda_max = power_method(linop,eta);
-  std::cout << GridLogMessage << "Lower bound of EOFA operator " << 1./lambda_max << std::endl;
-}
-
-
-NAMESPACE_BEGIN(Grid);
-
-  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
-  class MixedPrecisionConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
-  public:
-    typedef typename FermionOperatorD::FermionField FieldD;
-    typedef typename FermionOperatorF::FermionField FieldF;
-
-    using OperatorFunction<FieldD>::operator();
-
-    RealD   Tolerance;
-    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
-    Integer MaxInnerIterations;
-    Integer MaxOuterIterations;
-    GridBase* SinglePrecGrid4; //Grid for single-precision fields
-    GridBase* SinglePrecGrid5; //Grid for single-precision fields
-    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
-
-    FermionOperatorF &FermOpF;
-    FermionOperatorD &FermOpD;;
-    SchurOperatorF &LinOpF;
-    SchurOperatorD &LinOpD;
-
-    Integer TotalInnerIterations; //Number of inner CG iterations
-    Integer TotalOuterIterations; //Number of restarts
-    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
-
-    MixedPrecisionConjugateGradientOperatorFunction(RealD tol, 
-						    Integer maxinnerit, 
-						    Integer maxouterit, 
-						    GridBase* _sp_grid4, 
-						    GridBase* _sp_grid5, 
-						    FermionOperatorF &_FermOpF,
-						    FermionOperatorD &_FermOpD,
-						    SchurOperatorF   &_LinOpF,
-						    SchurOperatorD   &_LinOpD): 
-      LinOpF(_LinOpF),
-      LinOpD(_LinOpD),
-      FermOpF(_FermOpF),
-      FermOpD(_FermOpD),
-      Tolerance(tol), 
-      InnerTolerance(tol), 
-      MaxInnerIterations(maxinnerit), 
-      MaxOuterIterations(maxouterit), 
-      SinglePrecGrid4(_sp_grid4),
-      SinglePrecGrid5(_sp_grid5),
-      OuterLoopNormMult(100.) 
-    { 
-    };
-
-    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
-
-      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() "<<std::endl;
-
-      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
-      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
-
-      precisionChange(FermOpF.Umu, FermOpD.Umu);
-
-      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
-      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Make a mixed precision conjugate gradient
-      ////////////////////////////////////////////////////////////////////////////////////
-      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
-      MPCG.InnerTolerance = InnerTolerance;
-      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
-      MPCG(src,psi);
-    }
-  };
-
-NAMESPACE_END(Grid);
-
-
-
-
-
-int main(int argc, char **argv) {
-  Grid_init(&argc, &argv);
-  int threads = GridThread::GetThreads();
-  // here make a routine to print all the relevant information on the run
-  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
-
-  std::string param_file = "params.xml";
-  bool file_load_check = false;
-  for(int i=1;i<argc;i++){
-    std::string sarg(argv[i]);
-    if(sarg == "--param_file"){
-      assert(i!=argc-1);
-      param_file = argv[i+1];
-    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
-      file_load_check = true;
-    }
-  }
-
-  //Read the user parameters
-  EvolParameters user_params;
-  
-  if(fileExists(param_file)){
-    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
-    Grid::XmlReader rd(param_file);
-    read(rd, "Params", user_params);
-  }else if(!GlobalSharedMemory::WorldRank){
-    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
-    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
-    {
-      Grid::XmlWriter wr(param_file + ".templ");
-      write(wr, "Params", user_params);
-    }
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-  //Check the parameters
-  if(user_params.GparityDirs.size() != Nd-1){
-    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
-    exit(1);
-  }
-  for(int i=0;i<Nd-1;i++)
-    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
-      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
-      exit(1);
-    }
-
-
-  typedef GparityMobiusEOFAFermionD EOFAactionD;
-  typedef GparityMobiusFermionD FermionActionD;
-  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
-  typedef typename FermionActionD::FermionField FermionFieldD;
-
-  typedef GparityMobiusEOFAFermionF EOFAactionF;
-  typedef GparityMobiusFermionF FermionActionF;
-  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
-  typedef typename FermionActionF::FermionField FermionFieldF;
-
-  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
-  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
-
-  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
-  IntegratorParameters MD;
-  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
-  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
-  MD.name    = std::string("MinimumNorm2");
-  MD.MDsteps = user_params.Steps;
-  MD.trajL   = 1.0;
-
-  HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = user_params.StartTrajectory;
-  HMCparams.Trajectories     = user_params.Trajectories;
-  HMCparams.NoMetropolisUntil= 0;
-  HMCparams.StartingType     = user_params.StartingType;
-  HMCparams.MetropolisTest = user_params.MetropolisTest;
-  HMCparams.MD = MD;
-  HMCWrapper TheHMC(HMCparams);
-
-  // Grid from the command line arguments --grid and --mpi
-  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
-
-  CheckpointerParameters CPparams;
-  CPparams.config_prefix = "ckpoint_lat";
-  CPparams.rng_prefix    = "ckpoint_rng";
-  CPparams.saveInterval  = user_params.SaveInterval;
-  CPparams.format        = "IEEE64BIG";
-  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
-
-  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
-  RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = "1 2 3 4 5";
-  RNGpar.parallel_seeds = "6 7 8 9 10";
-  TheHMC.Resources.SetRNGSeeds(RNGpar);
-
-  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
-  TheHMC.Resources.AddObservable<PlaqObs>();
-  //////////////////////////////////////////////
-
-  const int Ls      = 12;
-  Real beta         = 1.75;
-  Real light_mass   = 0.0042; //240 MeV
-  Real strange_mass = 0.045;
-  Real pv_mass      = 1.0;
-  RealD M5  = 1.8;
-  RealD mobius_scale = 32./12.; //b+c
-
-  RealD mob_bmc = 1.0;
-  RealD mob_b = (mobius_scale + mob_bmc)/2.;
-  RealD mob_c = (mobius_scale - mob_bmc)/2.;
-
-  //Setup the Grids
-  auto UGridD   = TheHMC.Resources.GetCartesian();
-  auto UrbGridD = TheHMC.Resources.GetRBCartesian();
-  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridD);
-  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridD);
-
-  GridCartesian* UGridF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
-  GridRedBlackCartesian* UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
-  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridF);
-  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridF);
-
-  ConjugateIwasakiGaugeActionD GaugeAction(beta);
-
-  // temporarily need a gauge field
-  LatticeGaugeFieldD Ud(UGridD);
-  LatticeGaugeFieldF Uf(UGridF);
- 
-  //Setup the BCs
-  FermionActionD::ImplParams Params;
-  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
-  Params.twists[Nd-1] = 1; //APBC in time direction
-
-  std::vector<int> dirs4(Nd);
-  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
-  dirs4[Nd-1] = 0; //periodic gauge BC in time
-
-  GaugeImplPolicy::setDirections(dirs4); //gauge BC
-
-  //Run optional gauge field checksum checker and exit
-  if(file_load_check){
-    TheHMC.initializeGaugeFieldAndRNGs(Ud);
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-
-  ////////////////////////////////////
-  // Collect actions
-  ////////////////////////////////////
-  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
-  ActionLevel<HMCWrapper::Field> Level2(1); //DSDR
-  ActionLevel<HMCWrapper::Field> Level3(8); //gauge (8 increments per step)
-
-
-  /////////////////////////////////////////////////////////////
-  // Light EOFA action
-  // have to be careful with the parameters, cf. Test_dwf_gpforce_eofa.cc
-  /////////////////////////////////////////////////////////////
-
-  EOFAactionD LopD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, light_mass, light_mass, pv_mass, 0.0, -1, M5, mob_b, mob_c, Params);
-  EOFAactionF LopF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, light_mass, light_mass, pv_mass, 0.0, -1, M5, mob_b, mob_c, Params);
-  EOFAactionD RopD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, pv_mass, light_mass, pv_mass, -1.0, 1, M5, mob_b, mob_c, Params);
-  EOFAactionF RopF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, pv_mass, light_mass, pv_mass, -1.0, 1, M5, mob_b, mob_c, Params);
-
-  typedef SchurDiagMooeeOperator<EOFAactionD,FermionFieldD> EOFAschuropD;
-  typedef SchurDiagMooeeOperator<EOFAactionF,FermionFieldF> EOFAschuropF;
-  
-  EOFAschuropD linopL_D(LopD);
-  EOFAschuropD linopR_D(RopD);
-
-  EOFAschuropF linopL_F(LopF);
-  EOFAschuropF linopR_F(RopF);
-
-  typedef MixedPrecisionConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_mxCG;
-
-  EOFA_mxCG ActionMCG_L(user_params.eofa_l.action_tolerance, 10000, 1000, UGridF, FrbGridF, LopF, LopD, linopL_F, linopL_D);
-  ActionMCG_L.InnerTolerance = user_params.eofa_l.action_mixcg_inner_tolerance;
-  
-  EOFA_mxCG ActionMCG_R(user_params.eofa_l.action_tolerance, 10000, 1000, UGridF, FrbGridF, RopF, RopD, linopR_F, linopR_D);
-  ActionMCG_R.InnerTolerance = user_params.eofa_l.action_mixcg_inner_tolerance;
-
-  EOFA_mxCG DerivMCG_L(user_params.eofa_l.md_tolerance, 10000, 1000, UGridF, FrbGridF, LopF, LopD, linopL_F, linopL_D);
-  DerivMCG_L.InnerTolerance = user_params.eofa_l.md_mixcg_inner_tolerance;
-
-  EOFA_mxCG DerivMCG_R(user_params.eofa_l.md_tolerance, 10000, 1000, UGridF, FrbGridF, RopF, RopD, linopR_F, linopR_D);
-  DerivMCG_R.InnerTolerance = user_params.eofa_l.md_mixcg_inner_tolerance;
-
-  std::cout << GridLogMessage << "Set EOFA action solver action tolerance outer=" << ActionMCG_L.Tolerance << " inner=" << ActionMCG_L.InnerTolerance << std::endl;
-  std::cout << GridLogMessage << "Set EOFA MD solver tolerance outer=" << DerivMCG_L.Tolerance << " inner=" << DerivMCG_L.InnerTolerance << std::endl;
-
-  ConjugateGradient<FermionFieldD>      ActionCG(user_params.eofa_l.action_tolerance, 10000);
-  ConjugateGradient<FermionFieldD>  DerivativeCG(user_params.eofa_l.md_tolerance, 10000);
-
-  // ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicyD> EOFA(LopD, RopD, 
-  // 								   ActionCG, ActionCG, ActionCG, 
-  // 								   DerivativeCG, DerivativeCG, 
-  // 								   user_params.eofa_l.rat_params, true);
-
-  // ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicyD> EOFA(LopD, RopD, 
-  // 								   ActionMCG_L, ActionMCG_R, 
-  // 								   ActionMCG_L, ActionMCG_R, 
-  // 								   DerivMCG_L, DerivMCG_R, 
-  // 								   user_params.eofa_l.rat_params, true);
-
-  ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction<FermionImplPolicyD, FermionImplPolicyF> EOFA(LopF, RopF,
-													LopD, RopD, 
-													ActionMCG_L, ActionMCG_R, 
-													ActionMCG_L, ActionMCG_R, 
-													DerivMCG_L, DerivMCG_R, 
-													user_params.eofa_l.rat_params, true);
-
-
-  Level1.push_back(&EOFA);
-
-
-  ////////////////////////////////////
-  // Strange action
-  ////////////////////////////////////
-  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD,strange_mass,M5,mob_b,mob_c,Params);
-  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD, pv_mass,M5,mob_b,mob_c,Params);
-
-  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF,strange_mass,M5,mob_b,mob_c,Params);
-  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF, pv_mass,M5,mob_b,mob_c,Params);
-
-  RationalActionParams rat_act_params_s;
-  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
-  rat_act_params_s.precision= 60;
-  rat_act_params_s.MaxIter  = 10000;
-  user_params.rat_quo_s.Export(rat_act_params_s);
-  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_s.BoundsCheckFreq << " trajectories (avg)" << std::endl;
-
-  //MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
-  DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
-  Level1.push_back(&Quotient_s);  
-
-  ///////////////////////////////////
-  // DSDR action
-  ///////////////////////////////////
-  RealD dsdr_mass=-1.8;   
-  //Use same DSDR twists as https://arxiv.org/pdf/1208.4412.pdf
-  RealD dsdr_epsilon_f = 0.02; //numerator (in determinant)
-  RealD dsdr_epsilon_b = 0.5; 
-  GparityWilsonTMFermionD Numerator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_f, Params);
-  GparityWilsonTMFermionF Numerator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_f, Params);
-
-  GparityWilsonTMFermionD Denominator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_b, Params);
-  GparityWilsonTMFermionF Denominator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_b, Params);
- 
-  RationalActionParams rat_act_params_DSDR;
-  rat_act_params_DSDR.inv_pow  = 2; // (M^dag M)^{1/2}
-  rat_act_params_DSDR.precision= 60;
-  rat_act_params_DSDR.MaxIter  = 10000;
-  user_params.rat_quo_DSDR.Export(rat_act_params_DSDR);
-  std::cout << GridLogMessage << "DSDR quark bounds check every " << rat_act_params_DSDR.BoundsCheckFreq << " trajectories (avg)" << std::endl;
-
-  DoublePrecRHMC Quotient_DSDR(Denominator_DSDR_D, Numerator_DSDR_D, rat_act_params_DSDR);
-  Level2.push_back(&Quotient_DSDR);
-
-  /////////////////////////////////////////////////////////////
-  // Gauge action
-  /////////////////////////////////////////////////////////////
-  Level3.push_back(&GaugeAction);
-
-  TheHMC.TheAction.push_back(Level1);
-  TheHMC.TheAction.push_back(Level2);
-  TheHMC.TheAction.push_back(Level3);
-  std::cout << GridLogMessage << " Action complete "<< std::endl;
-
-
-  //Action tuning
-  bool 
-    tune_rhmc_s=false, eigenrange_s=false, 
-    tune_rhmc_DSDR=false, eigenrange_DSDR=false, 
-    check_eofa=false, 
-    upper_bound_eofa=false, lower_bound_eofa(false);
-
-  std::string lanc_params_s;
-  std::string lanc_params_DSDR;
-  int tune_rhmc_s_action_or_md;
-  int tune_rhmc_DSDR_action_or_md;
-
-  for(int i=1;i<argc;i++){
-    std::string sarg(argv[i]);
-    if(sarg == "--tune_rhmc_s"){
-      assert(i < argc-1);
-      tune_rhmc_s=true;
-      tune_rhmc_s_action_or_md = std::stoi(argv[i+1]);
-    }
-    else if(sarg == "--eigenrange_s"){
-      assert(i < argc-1);
-      eigenrange_s=true;
-      lanc_params_s = argv[i+1];
-    }
-    else if(sarg == "--tune_rhmc_DSDR"){
-      assert(i < argc-1);
-      tune_rhmc_DSDR=true;
-      tune_rhmc_DSDR_action_or_md = std::stoi(argv[i+1]);
-    }
-    else if(sarg == "--eigenrange_DSDR"){
-      assert(i < argc-1);
-      eigenrange_DSDR=true;
-      lanc_params_DSDR = argv[i+1];
-    }
-    else if(sarg == "--check_eofa") check_eofa = true;
-    else if(sarg == "--upper_bound_eofa") upper_bound_eofa = true;
-    else if(sarg == "--lower_bound_eofa") lower_bound_eofa = true;
-  }
-  if(tune_rhmc_s || eigenrange_s || tune_rhmc_DSDR || eigenrange_DSDR ||check_eofa || upper_bound_eofa || lower_bound_eofa) {
-    std::cout << GridLogMessage << "Running checks" << std::endl;
-    TheHMC.initializeGaugeFieldAndRNGs(Ud);
-
-    std::cout << GridLogMessage << "EOFA action solver action tolerance outer=" << ActionMCG_L.Tolerance << " inner=" << ActionMCG_L.InnerTolerance << std::endl;
-    std::cout << GridLogMessage << "EOFA MD solver tolerance outer=" << DerivMCG_L.Tolerance << " inner=" << DerivMCG_L.InnerTolerance << std::endl;
-
-
-    if(check_eofa) checkEOFA(EOFA, FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
-    if(upper_bound_eofa) upperBoundEOFA(EOFA, FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
-    if(lower_bound_eofa) lowerBoundEOFA(EOFA, FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
-    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
-    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange",  tune_rhmc_s_action_or_md);
-    if(eigenrange_DSDR) computeEigenvalues<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField>(lanc_params_DSDR, UGridD, UrbGridD, Ud, Numerator_DSDR_D, TheHMC.Resources.GetParallelRNG());
-    if(tune_rhmc_DSDR) checkRHMC<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField, decltype(Quotient_DSDR)>(UGridD, UrbGridD, Ud, Numerator_DSDR_D, Denominator_DSDR_D, Quotient_DSDR, TheHMC.Resources.GetParallelRNG(), 2, "DSDR", tune_rhmc_DSDR_action_or_md);
-
-
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-
-  //Run the HMC
-  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
-  TheHMC.Run();
-
-  std::cout << GridLogMessage << " Done" << std::endl;
-  Grid_finalize();
-  return 0;
-} // main

HMC/Mobius2p1fIDSDRGparityEOFA_40ID.cc

@@ -1,918 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./HMC/Mobius2p1fIDSDRGparityEOFA.cc
-
-Copyright (C) 2015-2016
-
-Author: Christopher Kelly <ckelly@bnl.gov>
-Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
-
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/Grid.h>
-
-using namespace Grid;
-
-//Production binary for the 40ID G-parity ensemble
-
-struct RatQuoParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
-				  double, bnd_lo,
-				  double, bnd_hi,
-				  Integer, action_degree,
-				  double, action_tolerance,
-				  Integer, md_degree,
-				  double, md_tolerance,
-				  Integer, reliable_update_freq,
-				  Integer, bnd_check_freq);
-  RatQuoParameters() { 
-    bnd_lo = 1e-2;
-    bnd_hi = 30;
-    action_degree = 10;
-    action_tolerance = 1e-10;
-    md_degree = 10;
-    md_tolerance = 1e-8;
-    bnd_check_freq = 20;
-    reliable_update_freq = 50;
-  }
-
-  void Export(RationalActionParams &into) const{
-    into.lo = bnd_lo;
-    into.hi = bnd_hi;
-    into.action_degree = action_degree;
-    into.action_tolerance = action_tolerance;
-    into.md_degree = md_degree;
-    into.md_tolerance = md_tolerance;
-    into.BoundsCheckFreq = bnd_check_freq;
-  }
-};
-
-struct EOFAparameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(EOFAparameters,
-				  OneFlavourRationalParams, rat_params,
-				  double, action_tolerance,
-				  double, action_mixcg_inner_tolerance,
-				  double, md_tolerance,
-				  double, md_mixcg_inner_tolerance);
-
-  EOFAparameters() { 
-    action_mixcg_inner_tolerance = 1e-8;
-    action_tolerance = 1e-10;
-    md_tolerance = 1e-8;
-    md_mixcg_inner_tolerance = 1e-8;
-
-    rat_params.lo = 1.0;
-    rat_params.hi = 25.0;
-    rat_params.MaxIter  = 50000;
-    rat_params.tolerance= 1.0e-9;
-    rat_params.degree   = 14;
-    rat_params.precision= 50;
-  }
-};
-
-struct EvolParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
-                                  Integer, StartTrajectory,
-                                  Integer, Trajectories,
-				  Integer, SaveInterval,
-				  Integer, Steps,
-				  RealD, TrajectoryLength,
-                                  bool, MetropolisTest,
-				  std::string, StartingType,
-				  std::vector<Integer>, GparityDirs,
-				  std::vector<EOFAparameters>, eofa_l,
-				  RatQuoParameters, rat_quo_s,
-				  RatQuoParameters, rat_quo_DSDR);
-
-  EvolParameters() {
-    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
-    MetropolisTest    = false;
-    StartTrajectory   = 0;
-    Trajectories      = 50;
-    SaveInterval = 5;
-    StartingType      = "ColdStart";
-    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
-    Steps = 5;
-    TrajectoryLength = 1.0;
-  }
-};
-
-bool fileExists(const std::string &fn){
-  std::ifstream f(fn);
-  return f.good();
-}
-
-
-
-
-struct LanczosParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
-				  double, alpha,
-				  double, beta,
-				  double, mu,
-				  int, ord,
-				  int, n_stop,
-				  int, n_want,
-				  int, n_use,
-				  double, tolerance);
-
-  LanczosParameters() {
-    alpha = 35;
-    beta = 5;
-    mu = 0;
-    ord = 100;
-    n_stop = 10;
-    n_want = 10;
-    n_use = 15;
-    tolerance = 1e-6;
-  }
-};
-
-
-
-template<typename FermionActionD, typename FermionFieldD>
-void computeEigenvalues(std::string param_file,
-			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
-			FermionActionD &action, GridParallelRNG &rng){
-  
-  LanczosParameters params;
-  if(fileExists(param_file)){
-    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
-    Grid::XmlReader rd(param_file);
-    read(rd, "LanczosParameters", params);
-  }else if(!GlobalSharedMemory::WorldRank){
-    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
-    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
-    Grid::XmlWriter wr(param_file + ".templ");
-    write(wr, "LanczosParameters", params);
-  }
-
-  FermionFieldD gauss_o(rbGrid);
-  FermionFieldD gauss(Grid);
-  gaussian(rng, gauss);
-  pickCheckerboard(Odd, gauss_o, gauss);
-
-  action.ImportGauge(latt);
-
-  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
-  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
-  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
-  assert(params.mu == 0.0);
-
-  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
-  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
-
-  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
-  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 50000);
-
-  std::vector<RealD> eval(params.n_use);
-  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
-  int Nconv;
-  IRL.calc(eval, evec, gauss_o, Nconv);
-
-  std::cout << "Eigenvalues:" << std::endl;
-  for(int i=0;i<params.n_want;i++){
-    std::cout << i << " " << eval[i] << std::endl;
-  }
-}
-
-
-//Check the quality of the RHMC approx
-//action_or_md toggles checking the action (0), MD (1) or both (2) setups
-template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
-void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
-	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
-	       int inv_pow, const std::string &quark_descr, int action_or_md){
-  assert(action_or_md == 0 || action_or_md == 1 || action_or_md == 2);
-  
-  FermionFieldD gauss_o(rbGrid);
-  FermionFieldD gauss(Grid);
-  gaussian(rng, gauss);
-  pickCheckerboard(Odd, gauss_o, gauss);
-
-  numOp.ImportGauge(latt);
-  denOp.ImportGauge(latt);
-
-  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
-  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
-  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
-
-  PowerMethod<FermionFieldD> power_method;
-  RealD lambda_max;
-
-  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " numerator" << std::endl;
-
-  lambda_max = power_method(MdagM,gauss_o);
-  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
-
-  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " denominator" << std::endl;
-  lambda_max = power_method(VdagV,gauss_o);
-  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
-
-  if(action_or_md == 0 || action_or_md == 2){
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 50000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 50000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 50000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 50000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-  }
-
-  std::cout << "-------------------------------------------------------------------------------" << std::endl;
-
-  if(action_or_md == 1 || action_or_md == 2){
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 50000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 50000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 50000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 50000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-  }
-}
-
-
-template<typename FermionImplPolicy>
-void checkEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
-	       GridCartesian* FGrid, GridParallelRNG &rng, const LatticeGaugeFieldD &latt){
-  std::cout << GridLogMessage << "Starting EOFA action/bounds check" << std::endl;
-  typename FermionImplPolicy::FermionField eta(FGrid);
-  RealD scale = std::sqrt(0.5);
-  gaussian(rng,eta); eta = eta * scale;
-
-  //Use the inbuilt check
-  EOFA.refresh(latt, eta);
-  EOFA.S(latt);
-  std::cout << GridLogMessage << "Finished EOFA upper action/bounds check" << std::endl;
-}
-
-
-template<typename FermionImplPolicy>
-class EOFAlinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
-  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
-  LatticeGaugeFieldD &U;
-public:
-  EOFAlinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
-
-  typedef typename FermionImplPolicy::FermionField Field;
-  void OpDiag (const Field &in, Field &out){ assert(0); }
-  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
-  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
-
-  void Op     (const Field &in, Field &out){ assert(0); }
-  void AdjOp  (const Field &in, Field &out){ assert(0); }
-  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
-  void HermOp(const Field &in, Field &out){ EOFA.Meofa(U, in, out); }
-};
-
-template<typename FermionImplPolicy>
-void upperBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
-		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
-  std::cout << GridLogMessage << "Starting EOFA upper bound compute" << std::endl;
-  EOFAlinop<FermionImplPolicy> linop(EOFA, latt);
-  typename FermionImplPolicy::FermionField eta(FGrid);
-  gaussian(rng,eta);
-  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
-  auto lambda_max = power_method(linop,eta);
-  std::cout << GridLogMessage << "Upper bound of EOFA operator " << lambda_max << std::endl;
-}
-
-//Applications of M^{-1} cost the same as M for EOFA!
-template<typename FermionImplPolicy>
-class EOFAinvLinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
-  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
-  LatticeGaugeFieldD &U;
-public:
-  EOFAinvLinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
-
-  typedef typename FermionImplPolicy::FermionField Field;
-  void OpDiag (const Field &in, Field &out){ assert(0); }
-  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
-  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
-
-  void Op     (const Field &in, Field &out){ assert(0); }
-  void AdjOp  (const Field &in, Field &out){ assert(0); }
-  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
-  void HermOp(const Field &in, Field &out){ EOFA.MeofaInv(U, in, out); }
-};
-
-template<typename FermionImplPolicy>
-void lowerBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
-		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
-  std::cout << GridLogMessage << "Starting EOFA lower bound compute using power method on M^{-1}. Inverse of highest eigenvalue is the lowest eigenvalue of M" << std::endl;
-  EOFAinvLinop<FermionImplPolicy> linop(EOFA, latt);
-  typename FermionImplPolicy::FermionField eta(FGrid);
-  gaussian(rng,eta);
-  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
-  auto lambda_max = power_method(linop,eta);
-  std::cout << GridLogMessage << "Lower bound of EOFA operator " << 1./lambda_max << std::endl;
-}
-
-
-NAMESPACE_BEGIN(Grid);
-
-  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
-  class MixedPrecisionConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
-  public:
-    typedef typename FermionOperatorD::FermionField FieldD;
-    typedef typename FermionOperatorF::FermionField FieldF;
-
-    using OperatorFunction<FieldD>::operator();
-
-    RealD   Tolerance;
-    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
-    Integer MaxInnerIterations;
-    Integer MaxOuterIterations;
-    GridBase* SinglePrecGrid4; //Grid for single-precision fields
-    GridBase* SinglePrecGrid5; //Grid for single-precision fields
-    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
-
-    FermionOperatorF &FermOpF;
-    FermionOperatorD &FermOpD;;
-    SchurOperatorF &LinOpF;
-    SchurOperatorD &LinOpD;
-
-    Integer TotalInnerIterations; //Number of inner CG iterations
-    Integer TotalOuterIterations; //Number of restarts
-    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
-
-    MixedPrecisionConjugateGradientOperatorFunction(RealD tol, 
-						    Integer maxinnerit, 
-						    Integer maxouterit, 
-						    GridBase* _sp_grid4, 
-						    GridBase* _sp_grid5, 
-						    FermionOperatorF &_FermOpF,
-						    FermionOperatorD &_FermOpD,
-						    SchurOperatorF   &_LinOpF,
-						    SchurOperatorD   &_LinOpD): 
-      LinOpF(_LinOpF),
-      LinOpD(_LinOpD),
-      FermOpF(_FermOpF),
-      FermOpD(_FermOpD),
-      Tolerance(tol), 
-      InnerTolerance(tol), 
-      MaxInnerIterations(maxinnerit), 
-      MaxOuterIterations(maxouterit), 
-      SinglePrecGrid4(_sp_grid4),
-      SinglePrecGrid5(_sp_grid5),
-      OuterLoopNormMult(100.) 
-    { 
-    };
-
-    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
-
-      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() "<<std::endl;
-
-      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
-      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
-
-      precisionChange(FermOpF.Umu, FermOpD.Umu);
-
-      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
-      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Make a mixed precision conjugate gradient
-      ////////////////////////////////////////////////////////////////////////////////////
-      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
-      MPCG.InnerTolerance = InnerTolerance;
-      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
-      MPCG(src,psi);
-    }
-  };
-
-
-
-  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
-  class MixedPrecisionReliableUpdateConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
-  public:
-    typedef typename FermionOperatorD::FermionField FieldD;
-    typedef typename FermionOperatorF::FermionField FieldF;
-
-    using OperatorFunction<FieldD>::operator();
-
-    RealD Tolerance;
-    Integer MaxIterations;
-
-    RealD Delta; //reliable update parameter
-
-    GridBase* SinglePrecGrid4; //Grid for single-precision fields
-    GridBase* SinglePrecGrid5; //Grid for single-precision fields
-
-    FermionOperatorF &FermOpF;
-    FermionOperatorD &FermOpD;;
-    SchurOperatorF &LinOpF;
-    SchurOperatorD &LinOpD;
-    
-    MixedPrecisionReliableUpdateConjugateGradientOperatorFunction(RealD tol, 
-								  RealD delta,
-								  Integer maxit, 
-								  GridBase* _sp_grid4, 
-								  GridBase* _sp_grid5, 
-								  FermionOperatorF &_FermOpF,
-								  FermionOperatorD &_FermOpD,
-								  SchurOperatorF   &_LinOpF,
-								  SchurOperatorD   &_LinOpD): 
-      LinOpF(_LinOpF),
-      LinOpD(_LinOpD),
-      FermOpF(_FermOpF),
-      FermOpD(_FermOpD),
-      Tolerance(tol), 
-      Delta(delta),
-      MaxIterations(maxit), 
-      SinglePrecGrid4(_sp_grid4),
-      SinglePrecGrid5(_sp_grid5)
-    { 
-    };
-
-    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
-
-      std::cout << GridLogMessage << " Mixed precision reliable CG update wrapper operator() "<<std::endl;
-
-      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
-      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
-
-      precisionChange(FermOpF.Umu, FermOpD.Umu);
-
-      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
-      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Make a mixed precision conjugate gradient
-      ////////////////////////////////////////////////////////////////////////////////////
-
-      ConjugateGradientReliableUpdate<FieldD,FieldF> MPCG(Tolerance,MaxIterations,Delta,SinglePrecGrid5,LinOpF,LinOpD);
-      std::cout << GridLogMessage << "Calling mixed precision reliable update Conjugate Gradient" <<std::endl;
-      MPCG(src,psi);
-    }
-  };
-
-
-
-NAMESPACE_END(Grid);
-
-
-
-
-
-int main(int argc, char **argv) {
-  Grid_init(&argc, &argv);
-  int threads = GridThread::GetThreads();
-  // here make a routine to print all the relevant information on the run
-  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
-
-  std::string param_file = "params.xml";
-  bool file_load_check = false;
-
-  std::string serial_seeds = "1 2 3 4 5";
-  std::string parallel_seeds = "6 7 8 9 10";
-
-  int i=1;
-  while(i < argc){
-    std::string sarg(argv[i]);
-    if(sarg == "--param_file"){
-      assert(i!=argc-1);
-      param_file = argv[i+1];
-      i+=2;
-    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
-      file_load_check = true;
-      i++;
-    }else if(sarg == "--set_seeds"){ //set the rng seeds. Expects two vector args, e.g.  --set_seeds 1.2.3.4 5.6.7.8
-      assert(i < argc-2);
-      std::vector<int> tmp;
-      GridCmdOptionIntVector(argv[i+1],tmp);
-      {
-	std::stringstream ss;
-	for(int j=0;j<tmp.size()-1;j++) ss << tmp[j] << " ";
-	ss << tmp.back();
-	serial_seeds = ss.str();
-      }
-      GridCmdOptionIntVector(argv[i+2],tmp);
-      {
-	std::stringstream ss;
-	for(int j=0;j<tmp.size()-1;j++) ss << tmp[j] << " ";
-	ss << tmp.back();
-	parallel_seeds = ss.str();
-      }
-      i+=3;
-      std::cout << GridLogMessage << "Set serial seeds to " << serial_seeds << std::endl;
-      std::cout << GridLogMessage << "Set parallel seeds to " << parallel_seeds << std::endl;
-      
-    }else{
-      i++;
-    }
-  }
-
-  
-  //Read the user parameters
-  EvolParameters user_params;
-  
-  if(fileExists(param_file)){
-    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
-    Grid::XmlReader rd(param_file);
-    read(rd, "Params", user_params);
-  }else if(!GlobalSharedMemory::WorldRank){
-    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
-    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
-    {
-      Grid::XmlWriter wr(param_file + ".templ");
-      write(wr, "Params", user_params);
-    }
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-  //Check the parameters
-  if(user_params.GparityDirs.size() != Nd-1){
-    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
-    exit(1);
-  }
-  for(int i=0;i<Nd-1;i++)
-    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
-      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
-      exit(1);
-    }
-
-
-  typedef GparityMobiusEOFAFermionD EOFAactionD;
-  typedef GparityMobiusFermionD FermionActionD;
-  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
-  typedef typename FermionActionD::FermionField FermionFieldD;
-
-  typedef GparityMobiusEOFAFermionF EOFAactionF;
-  typedef GparityMobiusFermionF FermionActionF;
-  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
-  typedef typename FermionActionF::FermionField FermionFieldF;
-
-  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
-  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
-
-  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
-  IntegratorParameters MD;
-  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
-  MD.name    = std::string("MinimumNorm2");
-
-  // typedef ConjugateHMCRunnerD<ForceGradient> HMCWrapper;
-  // MD.name    = std::string("ForceGradient");
-  
-  MD.MDsteps = user_params.Steps;
-  MD.trajL   = user_params.TrajectoryLength;
-
-  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
-  
-  HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = user_params.StartTrajectory;
-  HMCparams.Trajectories     = user_params.Trajectories;
-  HMCparams.NoMetropolisUntil= 0;
-  HMCparams.StartingType     = user_params.StartingType;
-  HMCparams.MetropolisTest = user_params.MetropolisTest;
-  HMCparams.MD = MD;
-  HMCWrapper TheHMC(HMCparams);
-
-  // Grid from the command line arguments --grid and --mpi
-  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
-
-  CheckpointerParameters CPparams;
-  CPparams.config_prefix = "ckpoint_lat";
-  CPparams.rng_prefix    = "ckpoint_rng";
-  CPparams.saveInterval  = user_params.SaveInterval;
-  CPparams.format        = "IEEE64BIG";
-  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
-
-  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
-  RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = serial_seeds;
-  RNGpar.parallel_seeds = parallel_seeds;
-  TheHMC.Resources.SetRNGSeeds(RNGpar);
-
-  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
-  TheHMC.Resources.AddObservable<PlaqObs>();
-  //////////////////////////////////////////////
-  //aiming for ainv=1.723 GeV
-  //                                  me         bob
-  //Estimated  a(ml+mres) [40ID] = 0.001305    0.00131
-  //           a(mh+mres) [40ID] = 0.035910    0.03529
-  //Estimate Ls=12, b+c=2  mres~0.0011
-
-  //1/24/2022 initial mres measurement gives mres=0.001,  adjusted light quark mass to 0.0003 from 0.0001
-  
-  const int Ls      = 12;
-  Real beta         = 1.848;
-  Real light_mass   = 0.0003;
-  Real strange_mass = 0.0342;
-  Real pv_mass      = 1.0;
-  RealD M5  = 1.8;
-  RealD mobius_scale = 2.; //b+c
-
-  RealD mob_bmc = 1.0;
-  RealD mob_b = (mobius_scale + mob_bmc)/2.;
-  RealD mob_c = (mobius_scale - mob_bmc)/2.;
-
-  std::cout << GridLogMessage
-	    << "Ensemble parameters:" << std::endl
-	    << "Ls=" << Ls << std::endl
-	    << "beta=" << beta << std::endl
-	    << "light_mass=" << light_mass << std::endl
-	    << "strange_mass=" << strange_mass << std::endl
-	    << "mobius_scale=" << mobius_scale << std::endl;
-  
-  //Setup the Grids
-  auto UGridD   = TheHMC.Resources.GetCartesian();
-  auto UrbGridD = TheHMC.Resources.GetRBCartesian();
-  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridD);
-  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridD);
-
-  GridCartesian* UGridF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
-  GridRedBlackCartesian* UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
-  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridF);
-  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridF);
-
-  ConjugateIwasakiGaugeActionD GaugeAction(beta);
-
-  // temporarily need a gauge field
-  LatticeGaugeFieldD Ud(UGridD);
-  LatticeGaugeFieldF Uf(UGridF);
- 
-  //Setup the BCs
-  FermionActionD::ImplParams Params;
-  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
-  Params.twists[Nd-1] = 1; //APBC in time direction
-
-  std::vector<int> dirs4(Nd);
-  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
-  dirs4[Nd-1] = 0; //periodic gauge BC in time
-
-  GaugeImplPolicy::setDirections(dirs4); //gauge BC
-
-  //Run optional gauge field checksum checker and exit
-  if(file_load_check){
-    TheHMC.initializeGaugeFieldAndRNGs(Ud);
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-
-  ////////////////////////////////////
-  // Collect actions
-  ////////////////////////////////////
-  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
-  ActionLevel<HMCWrapper::Field> Level2(4); //DSDR
-  ActionLevel<HMCWrapper::Field> Level3(2); //gauge
-
-
-  /////////////////////////////////////////////////////////////
-  // Light EOFA action
-  // have to be careful with the parameters, cf. Test_dwf_gpforce_eofa.cc
-  /////////////////////////////////////////////////////////////
-  typedef SchurDiagMooeeOperator<EOFAactionD,FermionFieldD> EOFAschuropD;
-  typedef SchurDiagMooeeOperator<EOFAactionF,FermionFieldF> EOFAschuropF;
-  typedef ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction<FermionImplPolicyD, FermionImplPolicyF> EOFAmixPrecPFaction;
-  typedef MixedPrecisionConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_mxCG;
-  typedef MixedPrecisionReliableUpdateConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_relupCG;
-
-
-  std::vector<RealD> eofa_light_masses = { light_mass ,  0.004,   0.016,   0.064,   0.256    };
-  std::vector<RealD> eofa_pv_masses =    { 0.004       , 0.016,   0.064,   0.256,   1.0      };
-  int n_light_hsb = 5;
-  assert(user_params.eofa_l.size() == n_light_hsb);
-  
-  EOFAmixPrecPFaction* EOFA_pfactions[n_light_hsb];
-
-  for(int i=0;i<n_light_hsb;i++){
-    RealD iml = eofa_light_masses[i];
-    RealD ipv = eofa_pv_masses[i];
-
-    EOFAactionD* LopD = new EOFAactionD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, iml, iml, ipv, 0.0, -1, M5, mob_b, mob_c, Params);
-    EOFAactionF* LopF = new EOFAactionF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, iml, iml, ipv, 0.0, -1, M5, mob_b, mob_c, Params);
-    EOFAactionD* RopD = new EOFAactionD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, ipv, iml, ipv, -1.0, 1, M5, mob_b, mob_c, Params);
-    EOFAactionF* RopF = new EOFAactionF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, ipv, iml, ipv, -1.0, 1, M5, mob_b, mob_c, Params);
-
-    EOFAschuropD* linopL_D = new EOFAschuropD(*LopD);
-    EOFAschuropD* linopR_D = new EOFAschuropD(*RopD);
-    
-    EOFAschuropF* linopL_F = new EOFAschuropF(*LopF);
-    EOFAschuropF* linopR_F = new EOFAschuropF(*RopF);
-
-#if 1
-    //Note reusing user_params.eofa_l.action(|md)_mixcg_inner_tolerance  as Delta for now
-    EOFA_relupCG* ActionMCG_L = new EOFA_relupCG(user_params.eofa_l[i].action_tolerance, user_params.eofa_l[i].action_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
-    EOFA_relupCG* ActionMCG_R = new EOFA_relupCG(user_params.eofa_l[i].action_tolerance, user_params.eofa_l[i].action_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
-
-    EOFA_relupCG* DerivMCG_L = new EOFA_relupCG(user_params.eofa_l[i].md_tolerance, user_params.eofa_l[i].md_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
-    EOFA_relupCG* DerivMCG_R = new EOFA_relupCG(user_params.eofa_l[i].md_tolerance, user_params.eofa_l[i].md_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
-
-#else
-    EOFA_mxCG* ActionMCG_L = new EOFA_mxCG(user_params.eofa_l[i].action_tolerance, 50000, 1000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
-    ActionMCG_L->InnerTolerance = user_params.eofa_l[i].action_mixcg_inner_tolerance;
-    
-    EOFA_mxCG* ActionMCG_R = new EOFA_mxCG(user_params.eofa_l[i].action_tolerance, 50000, 1000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
-    ActionMCG_R->InnerTolerance = user_params.eofa_l[i].action_mixcg_inner_tolerance;
-    
-    EOFA_mxCG* DerivMCG_L = new EOFA_mxCG(user_params.eofa_l[i].md_tolerance, 50000, 1000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
-    DerivMCG_L->InnerTolerance = user_params.eofa_l[i].md_mixcg_inner_tolerance;
-    
-    EOFA_mxCG* DerivMCG_R = new EOFA_mxCG(user_params.eofa_l[i].md_tolerance, 50000, 1000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
-    DerivMCG_R->InnerTolerance = user_params.eofa_l[i].md_mixcg_inner_tolerance;
-    
-    std::cout << GridLogMessage << "Set EOFA action solver action tolerance outer=" << ActionMCG_L->Tolerance << " inner=" << ActionMCG_L->InnerTolerance << std::endl;
-    std::cout << GridLogMessage << "Set EOFA MD solver tolerance outer=" << DerivMCG_L->Tolerance << " inner=" << DerivMCG_L->InnerTolerance << std::endl;
-#endif
-
-    EOFAmixPrecPFaction* EOFA = new EOFAmixPrecPFaction(*LopF, *RopF,
-							*LopD, *RopD, 
-							*ActionMCG_L, *ActionMCG_R, 
-							*ActionMCG_L, *ActionMCG_R, 
-							*DerivMCG_L, *DerivMCG_R, 
-							user_params.eofa_l[i].rat_params, true);
-    EOFA_pfactions[i] = EOFA;
-    Level1.push_back(EOFA);
-  }
-
-  ////////////////////////////////////
-  // Strange action
-  ////////////////////////////////////
-  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD,strange_mass,M5,mob_b,mob_c,Params);
-  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD, pv_mass,M5,mob_b,mob_c,Params);
-
-  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF,strange_mass,M5,mob_b,mob_c,Params);
-  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF, pv_mass,M5,mob_b,mob_c,Params);
-
-  RationalActionParams rat_act_params_s;
-  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
-  rat_act_params_s.precision= 60;
-  rat_act_params_s.MaxIter  = 50000;
-  user_params.rat_quo_s.Export(rat_act_params_s);
-  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_s.BoundsCheckFreq << " trajectories (avg)" << std::endl;
-
-  //MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
-  DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
-  Level1.push_back(&Quotient_s);  
-
-  ///////////////////////////////////
-  // DSDR action
-  ///////////////////////////////////
-  RealD dsdr_mass=-1.8;   
-  //Use same DSDR twists as https://arxiv.org/pdf/1208.4412.pdf
-  RealD dsdr_epsilon_f = 0.02; //numerator (in determinant)
-  RealD dsdr_epsilon_b = 0.5; 
-  GparityWilsonTMFermionD Numerator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_f, Params);
-  GparityWilsonTMFermionF Numerator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_f, Params);
-
-  GparityWilsonTMFermionD Denominator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_b, Params);
-  GparityWilsonTMFermionF Denominator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_b, Params);
- 
-  RationalActionParams rat_act_params_DSDR;
-  rat_act_params_DSDR.inv_pow  = 2; // (M^dag M)^{1/2}
-  rat_act_params_DSDR.precision= 60;
-  rat_act_params_DSDR.MaxIter  = 50000;
-  user_params.rat_quo_DSDR.Export(rat_act_params_DSDR);
-  std::cout << GridLogMessage << "DSDR quark bounds check every " << rat_act_params_DSDR.BoundsCheckFreq << " trajectories (avg)" << std::endl;
-
-  DoublePrecRHMC Quotient_DSDR(Denominator_DSDR_D, Numerator_DSDR_D, rat_act_params_DSDR);
-  Level2.push_back(&Quotient_DSDR);
-
-  /////////////////////////////////////////////////////////////
-  // Gauge action
-  /////////////////////////////////////////////////////////////
-  Level3.push_back(&GaugeAction);
-
-  TheHMC.TheAction.push_back(Level1);
-  TheHMC.TheAction.push_back(Level2);
-  TheHMC.TheAction.push_back(Level3);
-  std::cout << GridLogMessage << " Action complete "<< std::endl;
-
-
-  //Action tuning
-  bool 
-    tune_rhmc_s=false, eigenrange_s=false, 
-    tune_rhmc_DSDR=false, eigenrange_DSDR=false, 
-    check_eofa=false, 
-    upper_bound_eofa=false, lower_bound_eofa(false);
-
-  std::string lanc_params_s;
-  std::string lanc_params_DSDR;
-  int tune_rhmc_s_action_or_md;
-  int tune_rhmc_DSDR_action_or_md;
-  int eofa_which_hsb;
-
-  for(int i=1;i<argc;i++){
-    std::string sarg(argv[i]);
-    if(sarg == "--tune_rhmc_s"){
-      assert(i < argc-1);
-      tune_rhmc_s=true;
-      tune_rhmc_s_action_or_md = std::stoi(argv[i+1]);
-    }
-    else if(sarg == "--eigenrange_s"){
-      assert(i < argc-1);
-      eigenrange_s=true;
-      lanc_params_s = argv[i+1];
-    }
-    else if(sarg == "--tune_rhmc_DSDR"){
-      assert(i < argc-1);
-      tune_rhmc_DSDR=true;
-      tune_rhmc_DSDR_action_or_md = std::stoi(argv[i+1]);
-    }
-    else if(sarg == "--eigenrange_DSDR"){
-      assert(i < argc-1);
-      eigenrange_DSDR=true;
-      lanc_params_DSDR = argv[i+1];
-    }
-    else if(sarg == "--check_eofa"){
-      assert(i < argc-1);
-      check_eofa = true;
-      eofa_which_hsb = std::stoi(argv[i+1]); //-1 indicates all hasenbusch
-      assert(eofa_which_hsb == -1 || (eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb) );
-    }
-    else if(sarg == "--upper_bound_eofa"){
-      assert(i < argc-1);
-      upper_bound_eofa = true;
-      eofa_which_hsb = std::stoi(argv[i+1]);
-      assert(eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb);
-    }
-    else if(sarg == "--lower_bound_eofa"){
-      assert(i < argc-1);
-      lower_bound_eofa = true;      
-      eofa_which_hsb = std::stoi(argv[i+1]);
-      assert(eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb);
-    }
-  }
-  if(tune_rhmc_s || eigenrange_s || tune_rhmc_DSDR || eigenrange_DSDR ||check_eofa || upper_bound_eofa || lower_bound_eofa) {
-    std::cout << GridLogMessage << "Running checks" << std::endl;
-    TheHMC.initializeGaugeFieldAndRNGs(Ud);
-
-    //std::cout << GridLogMessage << "EOFA action solver action tolerance outer=" << ActionMCG_L.Tolerance << " inner=" << ActionMCG_L.InnerTolerance << std::endl;
-    //std::cout << GridLogMessage << "EOFA MD solver tolerance outer=" << DerivMCG_L.Tolerance << " inner=" << DerivMCG_L.InnerTolerance << std::endl;
-
-    if(check_eofa){
-      if(eofa_which_hsb >= 0){
-	std::cout << GridLogMessage << "Starting checking EOFA Hasenbusch " << eofa_which_hsb << std::endl;
-	checkEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
-	std::cout << GridLogMessage << "Finished checking EOFA Hasenbusch " << eofa_which_hsb << std::endl;
-      }else{
-	for(int i=0;i<n_light_hsb;i++){
-	  std::cout << GridLogMessage << "Starting checking EOFA Hasenbusch " << i << std::endl;
-	  checkEOFA(*EOFA_pfactions[i], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
-	  std::cout << GridLogMessage << "Finished checking EOFA Hasenbusch " << i << std::endl;
-	}
-      }
-    }	  
-    if(upper_bound_eofa) upperBoundEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
-    if(lower_bound_eofa) lowerBoundEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
-    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
-    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange",  tune_rhmc_s_action_or_md);
-    if(eigenrange_DSDR) computeEigenvalues<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField>(lanc_params_DSDR, UGridD, UrbGridD, Ud, Numerator_DSDR_D, TheHMC.Resources.GetParallelRNG());
-    if(tune_rhmc_DSDR) checkRHMC<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField, decltype(Quotient_DSDR)>(UGridD, UrbGridD, Ud, Numerator_DSDR_D, Denominator_DSDR_D, Quotient_DSDR, TheHMC.Resources.GetParallelRNG(), 2, "DSDR", tune_rhmc_DSDR_action_or_md);
-
-
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-
-  //Run the HMC
-  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
-  TheHMC.Run();
-
-  std::cout << GridLogMessage << " Done" << std::endl;
-  Grid_finalize();
-  return 0;
-} // main

HMC/Mobius2p1fIDSDRGparityEOFA_48ID.cc

@@ -1,873 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./HMC/Mobius2p1fIDSDRGparityEOFA.cc
-
-Copyright (C) 2015-2016
-
-Author: Christopher Kelly <ckelly@bnl.gov>
-Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
-
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/Grid.h>
-
-using namespace Grid;
-
-//Production binary for the 40ID G-parity ensemble
-
-struct RatQuoParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
-				  double, bnd_lo,
-				  double, bnd_hi,
-				  Integer, action_degree,
-				  double, action_tolerance,
-				  Integer, md_degree,
-				  double, md_tolerance,
-				  Integer, reliable_update_freq,
-				  Integer, bnd_check_freq);
-  RatQuoParameters() { 
-    bnd_lo = 1e-2;
-    bnd_hi = 30;
-    action_degree = 10;
-    action_tolerance = 1e-10;
-    md_degree = 10;
-    md_tolerance = 1e-8;
-    bnd_check_freq = 20;
-    reliable_update_freq = 50;
-  }
-
-  void Export(RationalActionParams &into) const{
-    into.lo = bnd_lo;
-    into.hi = bnd_hi;
-    into.action_degree = action_degree;
-    into.action_tolerance = action_tolerance;
-    into.md_degree = md_degree;
-    into.md_tolerance = md_tolerance;
-    into.BoundsCheckFreq = bnd_check_freq;
-  }
-};
-
-struct EOFAparameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(EOFAparameters,
-				  OneFlavourRationalParams, rat_params,
-				  double, action_tolerance,
-				  double, action_mixcg_inner_tolerance,
-				  double, md_tolerance,
-				  double, md_mixcg_inner_tolerance);
-
-  EOFAparameters() { 
-    action_mixcg_inner_tolerance = 1e-8;
-    action_tolerance = 1e-10;
-    md_tolerance = 1e-8;
-    md_mixcg_inner_tolerance = 1e-8;
-
-    rat_params.lo = 1.0;
-    rat_params.hi = 25.0;
-    rat_params.MaxIter  = 10000;
-    rat_params.tolerance= 1.0e-9;
-    rat_params.degree   = 14;
-    rat_params.precision= 50;
-  }
-};
-
-struct EvolParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
-                                  Integer, StartTrajectory,
-                                  Integer, Trajectories,
-				  Integer, SaveInterval,
-				  Integer, Steps,
-				  RealD, TrajectoryLength,
-                                  bool, MetropolisTest,
-				  std::string, StartingType,
-				  std::vector<Integer>, GparityDirs,
-				  std::vector<EOFAparameters>, eofa_l,
-				  RatQuoParameters, rat_quo_s,
-				  RatQuoParameters, rat_quo_DSDR);
-
-  EvolParameters() {
-    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
-    MetropolisTest    = false;
-    StartTrajectory   = 0;
-    Trajectories      = 50;
-    SaveInterval = 5;
-    StartingType      = "ColdStart";
-    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
-    Steps = 5;
-    TrajectoryLength = 1.0;
-  }
-};
-
-bool fileExists(const std::string &fn){
-  std::ifstream f(fn);
-  return f.good();
-}
-
-
-
-
-struct LanczosParameters: Serializable {
-  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
-				  double, alpha,
-				  double, beta,
-				  double, mu,
-				  int, ord,
-				  int, n_stop,
-				  int, n_want,
-				  int, n_use,
-				  double, tolerance);
-
-  LanczosParameters() {
-    alpha = 35;
-    beta = 5;
-    mu = 0;
-    ord = 100;
-    n_stop = 10;
-    n_want = 10;
-    n_use = 15;
-    tolerance = 1e-6;
-  }
-};
-
-
-
-template<typename FermionActionD, typename FermionFieldD>
-void computeEigenvalues(std::string param_file,
-			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
-			FermionActionD &action, GridParallelRNG &rng){
-  
-  LanczosParameters params;
-  if(fileExists(param_file)){
-    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
-    Grid::XmlReader rd(param_file);
-    read(rd, "LanczosParameters", params);
-  }else if(!GlobalSharedMemory::WorldRank){
-    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
-    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
-    Grid::XmlWriter wr(param_file + ".templ");
-    write(wr, "LanczosParameters", params);
-  }
-
-  FermionFieldD gauss_o(rbGrid);
-  FermionFieldD gauss(Grid);
-  gaussian(rng, gauss);
-  pickCheckerboard(Odd, gauss_o, gauss);
-
-  action.ImportGauge(latt);
-
-  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
-  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
-  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
-  assert(params.mu == 0.0);
-
-  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
-  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
-
-  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
-  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
-
-  std::vector<RealD> eval(params.n_use);
-  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
-  int Nconv;
-  IRL.calc(eval, evec, gauss_o, Nconv);
-
-  std::cout << "Eigenvalues:" << std::endl;
-  for(int i=0;i<params.n_want;i++){
-    std::cout << i << " " << eval[i] << std::endl;
-  }
-}
-
-
-//Check the quality of the RHMC approx
-//action_or_md toggles checking the action (0), MD (1) or both (2) setups
-template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
-void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
-	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
-	       int inv_pow, const std::string &quark_descr, int action_or_md){
-  assert(action_or_md == 0 || action_or_md == 1 || action_or_md == 2);
-  
-  FermionFieldD gauss_o(rbGrid);
-  FermionFieldD gauss(Grid);
-  gaussian(rng, gauss);
-  pickCheckerboard(Odd, gauss_o, gauss);
-
-  numOp.ImportGauge(latt);
-  denOp.ImportGauge(latt);
-
-  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
-  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
-  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
-
-  PowerMethod<FermionFieldD> power_method;
-  RealD lambda_max;
-
-  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " numerator" << std::endl;
-
-  lambda_max = power_method(MdagM,gauss_o);
-  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
-
-  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " denominator" << std::endl;
-  lambda_max = power_method(VdagV,gauss_o);
-  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
-
-  if(action_or_md == 0 || action_or_md == 2){
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
-    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-  }
-
-  std::cout << "-------------------------------------------------------------------------------" << std::endl;
-
-  if(action_or_md == 1 || action_or_md == 2){
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
-
-    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
-    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
-  }
-}
-
-
-template<typename FermionImplPolicy>
-void checkEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
-	       GridCartesian* FGrid, GridParallelRNG &rng, const LatticeGaugeFieldD &latt){
-  std::cout << GridLogMessage << "Starting EOFA action/bounds check" << std::endl;
-  typename FermionImplPolicy::FermionField eta(FGrid);
-  RealD scale = std::sqrt(0.5);
-  gaussian(rng,eta); eta = eta * scale;
-
-  //Use the inbuilt check
-  EOFA.refresh(latt, eta);
-  EOFA.S(latt);
-  std::cout << GridLogMessage << "Finished EOFA upper action/bounds check" << std::endl;
-}
-
-
-template<typename FermionImplPolicy>
-class EOFAlinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
-  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
-  LatticeGaugeFieldD &U;
-public:
-  EOFAlinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
-
-  typedef typename FermionImplPolicy::FermionField Field;
-  void OpDiag (const Field &in, Field &out){ assert(0); }
-  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
-  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
-
-  void Op     (const Field &in, Field &out){ assert(0); }
-  void AdjOp  (const Field &in, Field &out){ assert(0); }
-  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
-  void HermOp(const Field &in, Field &out){ EOFA.Meofa(U, in, out); }
-};
-
-template<typename FermionImplPolicy>
-void upperBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
-		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
-  std::cout << GridLogMessage << "Starting EOFA upper bound compute" << std::endl;
-  EOFAlinop<FermionImplPolicy> linop(EOFA, latt);
-  typename FermionImplPolicy::FermionField eta(FGrid);
-  gaussian(rng,eta);
-  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
-  auto lambda_max = power_method(linop,eta);
-  std::cout << GridLogMessage << "Upper bound of EOFA operator " << lambda_max << std::endl;
-}
-
-//Applications of M^{-1} cost the same as M for EOFA!
-template<typename FermionImplPolicy>
-class EOFAinvLinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
-  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
-  LatticeGaugeFieldD &U;
-public:
-  EOFAinvLinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
-
-  typedef typename FermionImplPolicy::FermionField Field;
-  void OpDiag (const Field &in, Field &out){ assert(0); }
-  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
-  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
-
-  void Op     (const Field &in, Field &out){ assert(0); }
-  void AdjOp  (const Field &in, Field &out){ assert(0); }
-  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
-  void HermOp(const Field &in, Field &out){ EOFA.MeofaInv(U, in, out); }
-};
-
-template<typename FermionImplPolicy>
-void lowerBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
-		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
-  std::cout << GridLogMessage << "Starting EOFA lower bound compute using power method on M^{-1}. Inverse of highest eigenvalue is the lowest eigenvalue of M" << std::endl;
-  EOFAinvLinop<FermionImplPolicy> linop(EOFA, latt);
-  typename FermionImplPolicy::FermionField eta(FGrid);
-  gaussian(rng,eta);
-  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
-  auto lambda_max = power_method(linop,eta);
-  std::cout << GridLogMessage << "Lower bound of EOFA operator " << 1./lambda_max << std::endl;
-}
-
-
-NAMESPACE_BEGIN(Grid);
-
-  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
-  class MixedPrecisionConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
-  public:
-    typedef typename FermionOperatorD::FermionField FieldD;
-    typedef typename FermionOperatorF::FermionField FieldF;
-
-    using OperatorFunction<FieldD>::operator();
-
-    RealD   Tolerance;
-    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
-    Integer MaxInnerIterations;
-    Integer MaxOuterIterations;
-    GridBase* SinglePrecGrid4; //Grid for single-precision fields
-    GridBase* SinglePrecGrid5; //Grid for single-precision fields
-    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
-
-    FermionOperatorF &FermOpF;
-    FermionOperatorD &FermOpD;;
-    SchurOperatorF &LinOpF;
-    SchurOperatorD &LinOpD;
-
-    Integer TotalInnerIterations; //Number of inner CG iterations
-    Integer TotalOuterIterations; //Number of restarts
-    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
-
-    MixedPrecisionConjugateGradientOperatorFunction(RealD tol, 
-						    Integer maxinnerit, 
-						    Integer maxouterit, 
-						    GridBase* _sp_grid4, 
-						    GridBase* _sp_grid5, 
-						    FermionOperatorF &_FermOpF,
-						    FermionOperatorD &_FermOpD,
-						    SchurOperatorF   &_LinOpF,
-						    SchurOperatorD   &_LinOpD): 
-      LinOpF(_LinOpF),
-      LinOpD(_LinOpD),
-      FermOpF(_FermOpF),
-      FermOpD(_FermOpD),
-      Tolerance(tol), 
-      InnerTolerance(tol), 
-      MaxInnerIterations(maxinnerit), 
-      MaxOuterIterations(maxouterit), 
-      SinglePrecGrid4(_sp_grid4),
-      SinglePrecGrid5(_sp_grid5),
-      OuterLoopNormMult(100.) 
-    { 
-    };
-
-    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
-
-      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() "<<std::endl;
-
-      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
-      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
-
-      precisionChange(FermOpF.Umu, FermOpD.Umu);
-
-      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
-      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Make a mixed precision conjugate gradient
-      ////////////////////////////////////////////////////////////////////////////////////
-      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
-      MPCG.InnerTolerance = InnerTolerance;
-      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
-      MPCG(src,psi);
-    }
-  };
-
-
-  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
-  class MixedPrecisionReliableUpdateConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
-  public:
-    typedef typename FermionOperatorD::FermionField FieldD;
-    typedef typename FermionOperatorF::FermionField FieldF;
-
-    using OperatorFunction<FieldD>::operator();
-
-    RealD Tolerance;
-    Integer MaxIterations;
-
-    RealD Delta; //reliable update parameter
-
-    GridBase* SinglePrecGrid4; //Grid for single-precision fields
-    GridBase* SinglePrecGrid5; //Grid for single-precision fields
-
-    FermionOperatorF &FermOpF;
-    FermionOperatorD &FermOpD;;
-    SchurOperatorF &LinOpF;
-    SchurOperatorD &LinOpD;
-    
-    MixedPrecisionReliableUpdateConjugateGradientOperatorFunction(RealD tol, 
-								  RealD delta,
-								  Integer maxit, 
-								  GridBase* _sp_grid4, 
-								  GridBase* _sp_grid5, 
-								  FermionOperatorF &_FermOpF,
-								  FermionOperatorD &_FermOpD,
-								  SchurOperatorF   &_LinOpF,
-								  SchurOperatorD   &_LinOpD): 
-      LinOpF(_LinOpF),
-      LinOpD(_LinOpD),
-      FermOpF(_FermOpF),
-      FermOpD(_FermOpD),
-      Tolerance(tol), 
-      Delta(delta),
-      MaxIterations(maxit), 
-      SinglePrecGrid4(_sp_grid4),
-      SinglePrecGrid5(_sp_grid5)
-    { 
-    };
-
-    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
-
-      std::cout << GridLogMessage << " Mixed precision reliable CG update wrapper operator() "<<std::endl;
-
-      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
-      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
-
-      precisionChange(FermOpF.Umu, FermOpD.Umu);
-
-      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
-      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Make a mixed precision conjugate gradient
-      ////////////////////////////////////////////////////////////////////////////////////
-
-      ConjugateGradientReliableUpdate<FieldD,FieldF> MPCG(Tolerance,MaxIterations,Delta,SinglePrecGrid5,LinOpF,LinOpD);
-      std::cout << GridLogMessage << "Calling mixed precision reliable update Conjugate Gradient" <<std::endl;
-      MPCG(src,psi);
-    }
-  };
-
-
-
-NAMESPACE_END(Grid);
-
-
-
-
-
-int main(int argc, char **argv) {
-  Grid_init(&argc, &argv);
-  int threads = GridThread::GetThreads();
-  // here make a routine to print all the relevant information on the run
-  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
-
-  std::string param_file = "params.xml";
-  bool file_load_check = false;
-  for(int i=1;i<argc;i++){
-    std::string sarg(argv[i]);
-    if(sarg == "--param_file"){
-      assert(i!=argc-1);
-      param_file = argv[i+1];
-    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
-      file_load_check = true;
-    }
-  }
-
-  //Read the user parameters
-  EvolParameters user_params;
-  
-  if(fileExists(param_file)){
-    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
-    Grid::XmlReader rd(param_file);
-    read(rd, "Params", user_params);
-  }else if(!GlobalSharedMemory::WorldRank){
-    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
-    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
-    {
-      Grid::XmlWriter wr(param_file + ".templ");
-      write(wr, "Params", user_params);
-    }
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-  //Check the parameters
-  if(user_params.GparityDirs.size() != Nd-1){
-    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
-    exit(1);
-  }
-  for(int i=0;i<Nd-1;i++)
-    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
-      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
-      exit(1);
-    }
-
-
-  typedef GparityMobiusEOFAFermionD EOFAactionD;
-  typedef GparityMobiusFermionD FermionActionD;
-  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
-  typedef typename FermionActionD::FermionField FermionFieldD;
-
-  typedef GparityMobiusEOFAFermionF EOFAactionF;
-  typedef GparityMobiusFermionF FermionActionF;
-  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
-  typedef typename FermionActionF::FermionField FermionFieldF;
-
-  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
-  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
-
-  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
-  IntegratorParameters MD;
-  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
-  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
-  MD.name    = std::string("MinimumNorm2");
-  MD.MDsteps = user_params.Steps;
-  MD.trajL   = user_params.TrajectoryLength;
-
-  HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = user_params.StartTrajectory;
-  HMCparams.Trajectories     = user_params.Trajectories;
-  HMCparams.NoMetropolisUntil= 0;
-  HMCparams.StartingType     = user_params.StartingType;
-  HMCparams.MetropolisTest = user_params.MetropolisTest;
-  HMCparams.MD = MD;
-  HMCWrapper TheHMC(HMCparams);
-
-  // Grid from the command line arguments --grid and --mpi
-  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
-
-  CheckpointerParameters CPparams;
-  CPparams.config_prefix = "ckpoint_lat";
-  CPparams.rng_prefix    = "ckpoint_rng";
-  CPparams.saveInterval  = user_params.SaveInterval;
-  CPparams.format        = "IEEE64BIG";
-  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
-
-  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
-  RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = "1 2 3 4 5";
-  RNGpar.parallel_seeds = "6 7 8 9 10";
-  TheHMC.Resources.SetRNGSeeds(RNGpar);
-
-  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
-  TheHMC.Resources.AddObservable<PlaqObs>();
-  //////////////////////////////////////////////
-
-  //aiming for ainv=2.068             me          Bob
-  //Estimated  a(ml+mres) [48ID] = 0.001048    0.00104 
-  //           a(mh+mres) [48ID] = 0.028847    0.02805
-  //Estimate Ls=12, b+c=2  mres~0.0003
-
-  const int Ls      = 12;
-  Real beta         = 1.946;
-  Real light_mass   = 0.00074;   //0.00104 - mres_approx;
-  Real strange_mass = 0.02775;    //0.02805 - mres_approx
-  Real pv_mass      = 1.0;
-  RealD M5  = 1.8;
-  RealD mobius_scale = 2.; //b+c
-
-  RealD mob_bmc = 1.0;
-  RealD mob_b = (mobius_scale + mob_bmc)/2.;
-  RealD mob_c = (mobius_scale - mob_bmc)/2.;
-
-  //Setup the Grids
-  auto UGridD   = TheHMC.Resources.GetCartesian();
-  auto UrbGridD = TheHMC.Resources.GetRBCartesian();
-  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridD);
-  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridD);
-
-  GridCartesian* UGridF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
-  GridRedBlackCartesian* UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
-  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridF);
-  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridF);
-
-  ConjugateIwasakiGaugeActionD GaugeAction(beta);
-
-  // temporarily need a gauge field
-  LatticeGaugeFieldD Ud(UGridD);
-  LatticeGaugeFieldF Uf(UGridF);
- 
-  //Setup the BCs
-  FermionActionD::ImplParams Params;
-  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
-  Params.twists[Nd-1] = 1; //APBC in time direction
-
-  std::vector<int> dirs4(Nd);
-  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
-  dirs4[Nd-1] = 0; //periodic gauge BC in time
-
-  GaugeImplPolicy::setDirections(dirs4); //gauge BC
-
-  //Run optional gauge field checksum checker and exit
-  if(file_load_check){
-    TheHMC.initializeGaugeFieldAndRNGs(Ud);
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-
-  ////////////////////////////////////
-  // Collect actions
-  ////////////////////////////////////
-  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
-  ActionLevel<HMCWrapper::Field> Level2(4); //DSDR
-  ActionLevel<HMCWrapper::Field> Level3(2); //gauge
-
-
-  /////////////////////////////////////////////////////////////
-  // Light EOFA action
-  // have to be careful with the parameters, cf. Test_dwf_gpforce_eofa.cc
-  /////////////////////////////////////////////////////////////
-  typedef SchurDiagMooeeOperator<EOFAactionD,FermionFieldD> EOFAschuropD;
-  typedef SchurDiagMooeeOperator<EOFAactionF,FermionFieldF> EOFAschuropF;
-  typedef ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction<FermionImplPolicyD, FermionImplPolicyF> EOFAmixPrecPFaction;
-  typedef MixedPrecisionConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_mxCG;
-  typedef MixedPrecisionReliableUpdateConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_relupCG;
-  
-  std::vector<RealD> eofa_light_masses = { light_mass ,  0.004,   0.016,   0.064,   0.256    };
-  std::vector<RealD> eofa_pv_masses =    { 0.004       , 0.016,   0.064,   0.256,   1.0      };
-  int n_light_hsb = 5;
-  assert(user_params.eofa_l.size() == n_light_hsb);
-  
-  EOFAmixPrecPFaction* EOFA_pfactions[n_light_hsb];
-
-  for(int i=0;i<n_light_hsb;i++){
-    RealD iml = eofa_light_masses[i];
-    RealD ipv = eofa_pv_masses[i];
-
-    EOFAactionD* LopD = new EOFAactionD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, iml, iml, ipv, 0.0, -1, M5, mob_b, mob_c, Params);
-    EOFAactionF* LopF = new EOFAactionF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, iml, iml, ipv, 0.0, -1, M5, mob_b, mob_c, Params);
-    EOFAactionD* RopD = new EOFAactionD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, ipv, iml, ipv, -1.0, 1, M5, mob_b, mob_c, Params);
-    EOFAactionF* RopF = new EOFAactionF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, ipv, iml, ipv, -1.0, 1, M5, mob_b, mob_c, Params);
-
-    EOFAschuropD* linopL_D = new EOFAschuropD(*LopD);
-    EOFAschuropD* linopR_D = new EOFAschuropD(*RopD);
-    
-    EOFAschuropF* linopL_F = new EOFAschuropF(*LopF);
-    EOFAschuropF* linopR_F = new EOFAschuropF(*RopF);
-
-#if 1
-    //Note reusing user_params.eofa_l.action(|md)_mixcg_inner_tolerance  as Delta for now
-    EOFA_relupCG* ActionMCG_L = new EOFA_relupCG(user_params.eofa_l[i].action_tolerance, user_params.eofa_l[i].action_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
-    EOFA_relupCG* ActionMCG_R = new EOFA_relupCG(user_params.eofa_l[i].action_tolerance, user_params.eofa_l[i].action_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
-
-    EOFA_relupCG* DerivMCG_L = new EOFA_relupCG(user_params.eofa_l[i].md_tolerance, user_params.eofa_l[i].md_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
-    EOFA_relupCG* DerivMCG_R = new EOFA_relupCG(user_params.eofa_l[i].md_tolerance, user_params.eofa_l[i].md_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
-
-#else
-    
-    EOFA_mxCG* ActionMCG_L = new EOFA_mxCG(user_params.eofa_l[i].action_tolerance, 10000, 1000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
-    ActionMCG_L->InnerTolerance = user_params.eofa_l[i].action_mixcg_inner_tolerance;
-    
-    EOFA_mxCG* ActionMCG_R = new EOFA_mxCG(user_params.eofa_l[i].action_tolerance, 10000, 1000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
-    ActionMCG_R->InnerTolerance = user_params.eofa_l[i].action_mixcg_inner_tolerance;
-    
-    EOFA_mxCG* DerivMCG_L = new EOFA_mxCG(user_params.eofa_l[i].md_tolerance, 10000, 1000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
-    DerivMCG_L->InnerTolerance = user_params.eofa_l[i].md_mixcg_inner_tolerance;
-    
-    EOFA_mxCG* DerivMCG_R = new EOFA_mxCG(user_params.eofa_l[i].md_tolerance, 10000, 1000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
-    DerivMCG_R->InnerTolerance = user_params.eofa_l[i].md_mixcg_inner_tolerance;
-    
-    std::cout << GridLogMessage << "Set EOFA action solver action tolerance outer=" << ActionMCG_L->Tolerance << " inner=" << ActionMCG_L->InnerTolerance << std::endl;
-    std::cout << GridLogMessage << "Set EOFA MD solver tolerance outer=" << DerivMCG_L->Tolerance << " inner=" << DerivMCG_L->InnerTolerance << std::endl;
-#endif
-
-    
-    EOFAmixPrecPFaction* EOFA = new EOFAmixPrecPFaction(*LopF, *RopF,
-							*LopD, *RopD, 
-							*ActionMCG_L, *ActionMCG_R, 
-							*ActionMCG_L, *ActionMCG_R, 
-							*DerivMCG_L, *DerivMCG_R, 
-							user_params.eofa_l[i].rat_params, true);
-    EOFA_pfactions[i] = EOFA;
-    Level1.push_back(EOFA);
-  }
-
-  ////////////////////////////////////
-  // Strange action
-  ////////////////////////////////////
-  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD,strange_mass,M5,mob_b,mob_c,Params);
-  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD, pv_mass,M5,mob_b,mob_c,Params);
-
-  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF,strange_mass,M5,mob_b,mob_c,Params);
-  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF, pv_mass,M5,mob_b,mob_c,Params);
-
-  RationalActionParams rat_act_params_s;
-  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
-  rat_act_params_s.precision= 60;
-  rat_act_params_s.MaxIter  = 10000;
-  user_params.rat_quo_s.Export(rat_act_params_s);
-  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_s.BoundsCheckFreq << " trajectories (avg)" << std::endl;
-
-  //MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
-  DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
-  Level1.push_back(&Quotient_s);  
-
-  ///////////////////////////////////
-  // DSDR action
-  ///////////////////////////////////
-  RealD dsdr_mass=-1.8;   
-  //Use same DSDR twists as https://arxiv.org/pdf/1208.4412.pdf
-  RealD dsdr_epsilon_f = 0.02; //numerator (in determinant)
-  RealD dsdr_epsilon_b = 0.5; 
-  GparityWilsonTMFermionD Numerator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_f, Params);
-  GparityWilsonTMFermionF Numerator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_f, Params);
-
-  GparityWilsonTMFermionD Denominator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_b, Params);
-  GparityWilsonTMFermionF Denominator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_b, Params);
- 
-  RationalActionParams rat_act_params_DSDR;
-  rat_act_params_DSDR.inv_pow  = 2; // (M^dag M)^{1/2}
-  rat_act_params_DSDR.precision= 60;
-  rat_act_params_DSDR.MaxIter  = 10000;
-  user_params.rat_quo_DSDR.Export(rat_act_params_DSDR);
-  std::cout << GridLogMessage << "DSDR quark bounds check every " << rat_act_params_DSDR.BoundsCheckFreq << " trajectories (avg)" << std::endl;
-
-  DoublePrecRHMC Quotient_DSDR(Denominator_DSDR_D, Numerator_DSDR_D, rat_act_params_DSDR);
-  Level2.push_back(&Quotient_DSDR);
-
-  /////////////////////////////////////////////////////////////
-  // Gauge action
-  /////////////////////////////////////////////////////////////
-  Level3.push_back(&GaugeAction);
-
-  TheHMC.TheAction.push_back(Level1);
-  TheHMC.TheAction.push_back(Level2);
-  TheHMC.TheAction.push_back(Level3);
-  std::cout << GridLogMessage << " Action complete "<< std::endl;
-
-
-  //Action tuning
-  bool 
-    tune_rhmc_s=false, eigenrange_s=false, 
-    tune_rhmc_DSDR=false, eigenrange_DSDR=false, 
-    check_eofa=false, 
-    upper_bound_eofa=false, lower_bound_eofa(false);
-
-  std::string lanc_params_s;
-  std::string lanc_params_DSDR;
-  int tune_rhmc_s_action_or_md;
-  int tune_rhmc_DSDR_action_or_md;
-  int eofa_which_hsb;
-
-  for(int i=1;i<argc;i++){
-    std::string sarg(argv[i]);
-    if(sarg == "--tune_rhmc_s"){
-      assert(i < argc-1);
-      tune_rhmc_s=true;
-      tune_rhmc_s_action_or_md = std::stoi(argv[i+1]);
-    }
-    else if(sarg == "--eigenrange_s"){
-      assert(i < argc-1);
-      eigenrange_s=true;
-      lanc_params_s = argv[i+1];
-    }
-    else if(sarg == "--tune_rhmc_DSDR"){
-      assert(i < argc-1);
-      tune_rhmc_DSDR=true;
-      tune_rhmc_DSDR_action_or_md = std::stoi(argv[i+1]);
-    }
-    else if(sarg == "--eigenrange_DSDR"){
-      assert(i < argc-1);
-      eigenrange_DSDR=true;
-      lanc_params_DSDR = argv[i+1];
-    }
-    else if(sarg == "--check_eofa"){
-      assert(i < argc-1);
-      check_eofa = true;
-      eofa_which_hsb = std::stoi(argv[i+1]); //-1 indicates all hasenbusch
-      assert(eofa_which_hsb == -1 || (eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb) );
-    }
-    else if(sarg == "--upper_bound_eofa"){
-      assert(i < argc-1);
-      upper_bound_eofa = true;
-      eofa_which_hsb = std::stoi(argv[i+1]);
-      assert(eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb);
-    }
-    else if(sarg == "--lower_bound_eofa"){
-      assert(i < argc-1);
-      lower_bound_eofa = true;      
-      eofa_which_hsb = std::stoi(argv[i+1]);
-      assert(eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb);
-    }
-  }
-  if(tune_rhmc_s || eigenrange_s || tune_rhmc_DSDR || eigenrange_DSDR ||check_eofa || upper_bound_eofa || lower_bound_eofa) {
-    std::cout << GridLogMessage << "Running checks" << std::endl;
-    TheHMC.initializeGaugeFieldAndRNGs(Ud);
-
-    //std::cout << GridLogMessage << "EOFA action solver action tolerance outer=" << ActionMCG_L.Tolerance << " inner=" << ActionMCG_L.InnerTolerance << std::endl;
-    //std::cout << GridLogMessage << "EOFA MD solver tolerance outer=" << DerivMCG_L.Tolerance << " inner=" << DerivMCG_L.InnerTolerance << std::endl;
-
-
-    if(check_eofa){
-      if(eofa_which_hsb >= 0){
-	std::cout << GridLogMessage << "Starting checking EOFA Hasenbusch " << eofa_which_hsb << std::endl;
-	checkEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
-	std::cout << GridLogMessage << "Finished checking EOFA Hasenbusch " << eofa_which_hsb << std::endl;
-      }else{
-	for(int i=0;i<n_light_hsb;i++){
-	  std::cout << GridLogMessage << "Starting checking EOFA Hasenbusch " << i << std::endl;
-	  checkEOFA(*EOFA_pfactions[i], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
-	  std::cout << GridLogMessage << "Finished checking EOFA Hasenbusch " << i << std::endl;
-	}
-      }
-    }	  
-    if(upper_bound_eofa) upperBoundEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
-    if(lower_bound_eofa) lowerBoundEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
-    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
-    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange",  tune_rhmc_s_action_or_md);
-    if(eigenrange_DSDR) computeEigenvalues<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField>(lanc_params_DSDR, UGridD, UrbGridD, Ud, Numerator_DSDR_D, TheHMC.Resources.GetParallelRNG());
-    if(tune_rhmc_DSDR) checkRHMC<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField, decltype(Quotient_DSDR)>(UGridD, UrbGridD, Ud, Numerator_DSDR_D, Denominator_DSDR_D, Quotient_DSDR, TheHMC.Resources.GetParallelRNG(), 2, "DSDR", tune_rhmc_DSDR_action_or_md);
-
-
-    std::cout << GridLogMessage << " Done" << std::endl;
-    Grid_finalize();
-    return 0;
-  }
-
-
-  //Run the HMC
-  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
-  TheHMC.Run();
-
-  std::cout << GridLogMessage << " Done" << std::endl;
-  Grid_finalize();
-  return 0;
-} // main

HMC/Mobius2p1f_DD_RHMC.cc

@@ -0,0 +1,265 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./tests/Test_hmc_EODWFRatio.cc
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+Author: Guido Cossu <guido.cossu@ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FermionImplPolicy;
+  typedef MobiusFermionR FermionAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+  typedef Grid::XmlReader       Serialiser;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
+  //  MD.name    = std::string("Leap Frog");
+  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
+  //  MD.name    = std::string("Force Gradient");
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps =  4;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = 17;
+  HMCparams.Trajectories     = 200;
+  HMCparams.NoMetropolisUntil=  0;
+  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  //  HMCparams.StartingType     =std::string("ColdStart");
+  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_DDHMC_lat";
+  CPparams.rng_prefix    = "ckpoint_DDHMC_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  RealD M5  = 1.8;
+  RealD b   = 1.0;
+  RealD c   = 0.0;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.04;
+  Real pv_mass      = 1.0;
+  std::vector<Real> hasenbusch({ light_mass, 0.04, 0.25, 0.4, 0.7 , pv_mass });
+
+  // FIXME:
+  // Same in MC and MD
+  // Need to mix precision too
+  OneFlavourRationalParams SFRp;
+  SFRp.lo       = 4.0e-3;
+  SFRp.hi       = 30.0;
+  SFRp.MaxIter  = 10000;
+  SFRp.tolerance= 1.0e-8;
+  SFRp.mdtolerance= 1.0e-6;
+  SFRp.degree   = 16;
+  SFRp.precision= 50;
+  SFRp.BoundsCheckFreq=5;
+
+  OneFlavourRationalParams OFRp;
+  OFRp.lo       = 1.0e-4;
+  OFRp.hi       = 30.0;
+  OFRp.MaxIter  = 10000;
+  OFRp.tolerance= 1.0e-8;
+  OFRp.mdtolerance= 1.0e-6;
+  OFRp.degree   = 16;
+  OFRp.precision= 50;
+  OFRp.BoundsCheckFreq=5;
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+
+  ////////////////////////////////////////////////////////////////
+  // Domain decomposed
+  ////////////////////////////////////////////////////////////////
+  Coordinate latt4  = GridPtr->GlobalDimensions();
+  Coordinate mpi    = GridPtr->ProcessorGrid();
+  Coordinate shm;
+
+  GlobalSharedMemory::GetShmDims(mpi,shm);
+  
+  Coordinate CommDim(Nd);
+  for(int d=0;d<Nd;d++) CommDim[d]= (mpi[d]/shm[d])>1 ? 1 : 0;
+
+  Coordinate Dirichlet(Nd+1,0);
+  Dirichlet[1] = CommDim[0]*latt4[0]/mpi[0] * shm[0];
+  Dirichlet[2] = CommDim[1]*latt4[1]/mpi[1] * shm[1];
+  Dirichlet[3] = CommDim[2]*latt4[2]/mpi[2] * shm[2];
+  Dirichlet[4] = CommDim[3]*latt4[3]/mpi[3] * shm[3];
+
+  Coordinate Block4(Nd);
+  Block4[0] = Dirichlet[1];
+  Block4[1] = Dirichlet[2];
+  Block4[2] = Dirichlet[3];
+  Block4[3] = Dirichlet[4];
+  int Width=3;
+  TheHMC.Resources.SetMomentumFilter(new DDHMCFilter<WilsonImplR::Field>(Block4,Width));
+
+  //////////////////////////
+  // Fermion Grid
+  //////////////////////////
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+
+  double StoppingCondition = 1e-8;
+  double MaxCGIterations = 30000;
+  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(4);
+  ActionLevel<HMCWrapper::Field> Level3(6);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionAction StrangeOp (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,strange_mass,M5,b,c, Params);
+  FermionAction StrangePauliVillarsOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,pv_mass,  M5,b,c, Params);
+
+  FermionAction StrangeOpDir (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,strange_mass,M5,b,c, Params);
+  FermionAction StrangePauliVillarsOpDir(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,pv_mass,  M5,b,c, Params);
+  StrangeOpDir.DirichletBlock(Dirichlet);  
+  StrangePauliVillarsOpDir.DirichletBlock(Dirichlet);  
+  
+  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> StrangePseudoFermionBdy(StrangeOpDir,StrangeOp,SFRp);
+  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> StrangePseudoFermionLocal(StrangePauliVillarsOpDir,StrangeOpDir,SFRp);
+  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> StrangePseudoFermionPVBdy(StrangePauliVillarsOp,StrangePauliVillarsOpDir,SFRp);
+  Level1.push_back(&StrangePseudoFermionBdy);
+  Level2.push_back(&StrangePseudoFermionLocal);
+  Level1.push_back(&StrangePseudoFermionPVBdy);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+  std::vector<int> dirichlet_den;
+  std::vector<int> dirichlet_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);  dirichlet_den.push_back(0);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]); dirichlet_den.push_back(1);
+  }
+
+  for(int h=0;h<n_hasenbusch;h++){
+    light_num.push_back(hasenbusch[h]); dirichlet_num.push_back(1);
+  }
+  light_num.push_back(pv_mass);  dirichlet_num.push_back(0);
+
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
+  std::vector<OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> *> Bdys;
+  
+  for(int h=0;h<n_hasenbusch+1;h++){
+    std::cout << GridLogMessage
+	      << " 2f quotient Action ";
+    std::cout << "det D("<<light_den[h]<<")";
+    if ( dirichlet_den[h] ) std::cout << "^dirichlet    ";
+    std::cout << "/ det D("<<light_num[h]<<")";
+    if ( dirichlet_num[h] ) std::cout << "^dirichlet    ";
+    std::cout << std::endl;
+    
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+    if(h!=0) {
+      Quotients.push_back   (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
+    } else {
+      Bdys.push_back( new OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],OFRp));
+      Bdys.push_back( new OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],OFRp));
+    }
+    if ( dirichlet_den[h]==1) Denominators[h]->DirichletBlock(Dirichlet);
+    if ( dirichlet_num[h]==1) Numerators[h]->DirichletBlock(Dirichlet);
+  }
+
+  int nquo=Quotients.size();
+  Level1.push_back(Bdys[0]);
+  Level1.push_back(Bdys[1]);
+  for(int h=0;h<nquo-1;h++){
+    Level2.push_back(Quotients[h]);
+  }
+  Level1.push_back(Quotients[nquo-1]); // PV dirichlet fix on coarse timestep
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level3.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  TheHMC.TheAction.push_back(Level3);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+  /////////////////////////////////////////////////////////////
+
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.ReadCommandLine(argc,argv);  // params on CML or from param file
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

benchmarks/Benchmark_comms.cc

@@ -217,9 +217,9 @@ int main (int argc, char ** argv)
 	    dbytes+=
 	      Grid.StencilSendToRecvFromBegin(requests,
 					      (void *)&xbuf[mu][0],
-					      xmit_to_rank,
+					      xmit_to_rank,1,
 					      (void *)&rbuf[mu][0],
-					      recv_from_rank,
+					      recv_from_rank,1,
 					      bytes,mu);
 	
 	    comm_proc = mpi_layout[mu]-1;
@@ -228,9 +228,9 @@ int main (int argc, char ** argv)
 	    dbytes+=
 	      Grid.StencilSendToRecvFromBegin(requests,
 					      (void *)&xbuf[mu+4][0],
-					      xmit_to_rank,
+					      xmit_to_rank,1,
 					      (void *)&rbuf[mu+4][0],
-					      recv_from_rank,
+					      recv_from_rank,1,
 					      bytes,mu+4);
 	  
 	  }
@@ -309,9 +309,9 @@ int main (int argc, char ** argv)
 	    dbytes+=
 	      Grid.StencilSendToRecvFromBegin(requests,
 					      (void *)&xbuf[mu][0],
-					      xmit_to_rank,
+					      xmit_to_rank,1,
 					      (void *)&rbuf[mu][0],
-					      recv_from_rank,
+					      recv_from_rank,1,
 					      bytes,mu);
 	    Grid.StencilSendToRecvFromComplete(requests,mu);
 	    requests.resize(0);
@@ -322,9 +322,9 @@ int main (int argc, char ** argv)
 	    dbytes+=
 	      Grid.StencilSendToRecvFromBegin(requests,
 					      (void *)&xbuf[mu+4][0],
-					      xmit_to_rank,
+					      xmit_to_rank,1,
 					      (void *)&rbuf[mu+4][0],
-					      recv_from_rank,
+					      recv_from_rank,1,
 					      bytes,mu+4);
 	    Grid.StencilSendToRecvFromComplete(requests,mu+4);
 	    requests.resize(0);
@@ -411,8 +411,8 @@ int main (int argc, char ** argv)
 	      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,tid);
+	    tbytes= Grid.StencilSendToRecvFrom((void *)&xbuf[dir][0], xmit_to_rank,1,
+					       (void *)&rbuf[dir][0], recv_from_rank,1, bytes,tid);
 
 	    thread_critical { dbytes+=tbytes; }
 	  }

benchmarks/Benchmark_dwf_fp32.cc

@@ -32,18 +32,18 @@
 using namespace std;
 using namespace Grid;
 
-template<class d>
-struct scal {
-  d internal;
+////////////////////////
+/// Move to domains ////
+////////////////////////
+
+Gamma::Algebra Gmu [] = {
+			 Gamma::Algebra::GammaX,
+			 Gamma::Algebra::GammaY,
+			 Gamma::Algebra::GammaZ,
+			 Gamma::Algebra::GammaT
 };
 
-  Gamma::Algebra Gmu [] = {
-    Gamma::Algebra::GammaX,
-    Gamma::Algebra::GammaY,
-    Gamma::Algebra::GammaZ,
-    Gamma::Algebra::GammaT
-  };
-
+void Benchmark(int Ls, Coordinate Dirichlet);
 
 int main (int argc, char ** argv)
 {
@@ -52,24 +52,82 @@ int main (int argc, char ** argv)
 
   int threads = GridThread::GetThreads();
 
-  Coordinate latt4 = GridDefaultLatt();
   int Ls=16;
-  for(int i=0;i<argc;i++)
+  for(int i=0;i<argc;i++) {
     if(std::string(argv[i]) == "-Ls"){
       std::stringstream ss(argv[i+1]); ss >> Ls;
     }
+  }
 
+  //////////////////
+  // With comms
+  //////////////////
+  Coordinate Dirichlet(Nd+1,0);
+
+  std::cout << "\n\n\n\n\n\n" <<std::endl;
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+  std::cout << GridLogMessage<< " Testing with full communication " <<std::endl;
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+  
+  Benchmark(Ls,Dirichlet);
+
+  //////////////////
+  // Domain decomposed
+  //////////////////
+  Coordinate latt4  = GridDefaultLatt();
+  Coordinate mpi    = GridDefaultMpi();
+  Coordinate CommDim(Nd);
+  Coordinate shm;
+  GlobalSharedMemory::GetShmDims(mpi,shm);
+
+
+  //////////////////////
+  // Node level
+  //////////////////////
+  std::cout << "\n\n\n\n\n\n" <<std::endl;
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+  std::cout << GridLogMessage<< " Testing without internode communication " <<std::endl;
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+
+  for(int d=0;d<Nd;d++) CommDim[d]= (mpi[d]/shm[d])>1 ? 1 : 0;
+  Dirichlet[0] = 0;
+  Dirichlet[1] = CommDim[0]*latt4[0]/mpi[0] * shm[0];
+  Dirichlet[2] = CommDim[1]*latt4[1]/mpi[1] * shm[1];
+  Dirichlet[3] = CommDim[2]*latt4[2]/mpi[2] * shm[2];
+  Dirichlet[4] = CommDim[3]*latt4[3]/mpi[3] * shm[3];
+
+  Benchmark(Ls,Dirichlet);
+
+  std::cout << "\n\n\n\n\n\n" <<std::endl;
+
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+  std::cout << GridLogMessage<< " Testing without intranode communication " <<std::endl;
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+
+  for(int d=0;d<Nd;d++) CommDim[d]= mpi[d]>1 ? 1 : 0;
+  Dirichlet[0] = 0;
+  Dirichlet[1] = CommDim[0]*latt4[0]/mpi[0];
+  Dirichlet[2] = CommDim[1]*latt4[1]/mpi[1];
+  Dirichlet[3] = CommDim[2]*latt4[2]/mpi[2];
+  Dirichlet[4] = CommDim[3]*latt4[3]/mpi[3];
+  
+  Benchmark(Ls,Dirichlet);
+
+  Grid_finalize();
+  exit(0);
+}
+void Benchmark(int Ls, Coordinate Dirichlet)
+{
+  Coordinate latt4 = GridDefaultLatt();
   GridLogLayout();
 
   long unsigned int single_site_flops = 8*Nc*(7+16*Nc);
 
-
   GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplexF::Nsimd()),GridDefaultMpi());
   GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
   GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
   GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
 
-  std::cout << GridLogMessage << "Making s innermost grids"<<std::endl;
   GridCartesian         * sUGrid   = SpaceTimeGrid::makeFourDimDWFGrid(GridDefaultLatt(),GridDefaultMpi());
   GridRedBlackCartesian * sUrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(sUGrid);
   GridCartesian         * sFGrid   = SpaceTimeGrid::makeFiveDimDWFGrid(Ls,UGrid);
@@ -80,9 +138,9 @@ int main (int argc, char ** argv)
 
   std::cout << GridLogMessage << "Initialising 4d RNG" << std::endl;
   GridParallelRNG          RNG4(UGrid);  RNG4.SeedUniqueString(std::string("The 4D RNG"));
+
   std::cout << GridLogMessage << "Initialising 5d RNG" << std::endl;
   GridParallelRNG          RNG5(FGrid);  RNG5.SeedUniqueString(std::string("The 5D RNG"));
-  std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
 
   LatticeFermionF src   (FGrid); random(RNG5,src);
 #if 0
@@ -100,7 +158,6 @@ int main (int argc, char ** argv)
   src = src*N2;
 #endif
 
-
   LatticeFermionF result(FGrid); result=Zero();
   LatticeFermionF    ref(FGrid);    ref=Zero();
   LatticeFermionF    tmp(FGrid);
@@ -108,29 +165,31 @@ int main (int argc, char ** argv)
 
   std::cout << GridLogMessage << "Drawing gauge field" << std::endl;
   LatticeGaugeFieldF Umu(UGrid);
+  LatticeGaugeFieldF UmuCopy(UGrid);
   SU<Nc>::HotConfiguration(RNG4,Umu);
+  UmuCopy=Umu;
   std::cout << GridLogMessage << "Random gauge initialised " << std::endl;
-#if 0
-  Umu=1.0;
-  for(int mu=0;mu<Nd;mu++){
-    LatticeColourMatrixF ttmp(UGrid);
-    ttmp = PeekIndex<LorentzIndex>(Umu,mu);
-    //    if (mu !=2 ) ttmp = 0;
-    //    ttmp = ttmp* pow(10.0,mu);
-    PokeIndex<LorentzIndex>(Umu,ttmp,mu);
-  }
-  std::cout << GridLogMessage << "Forced to diagonal " << std::endl;
-#endif
 
+  ////////////////////////////////////
+  // Apply BCs
+  ////////////////////////////////////
+  Coordinate Block(4);
+  for(int d=0;d<4;d++)  Block[d]= Dirichlet[d+1];
+
+  std::cout << GridLogMessage << "Applying BCs for Dirichlet Block5 " << Dirichlet << std::endl;
+  std::cout << GridLogMessage << "Applying BCs for Dirichlet Block4 " << Block << std::endl;
+
+  DirichletFilter<LatticeGaugeFieldF> Filter(Block);
+  Filter.applyFilter(Umu);
+  
   ////////////////////////////////////
   // Naive wilson implementation
   ////////////////////////////////////
-  // replicate across fifth dimension
-  //  LatticeGaugeFieldF Umu5d(FGrid);
   std::vector<LatticeColourMatrixF> U(4,UGrid);
   for(int mu=0;mu<Nd;mu++){
     U[mu] = PeekIndex<LorentzIndex>(Umu,mu);
   }
+
   std::cout << GridLogMessage << "Setting up Cshift based reference " << std::endl;
 
   if (1)
@@ -191,11 +250,13 @@ int main (int argc, char ** argv)
   std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
 
   DomainWallFermionF Dw(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+  Dw.DirichletBlock(Dirichlet);
+  Dw.ImportGauge(Umu);
+  
   int ncall =300;
 
   if (1) {
     FGrid->Barrier();
-    Dw.ZeroCounters();
     Dw.Dhop(src,result,0);
     std::cout<<GridLogMessage<<"Called warmup"<<std::endl;
     double t0=usecond();
@@ -220,29 +281,20 @@ int main (int argc, char ** argv)
     double data_mem = (volume * (2*Nd+1)*Nd*Nc + (volume/Ls) *2*Nd*Nc*Nc) * simdwidth / nsimd * ncall / (1024.*1024.*1024.);
 
     std::cout<<GridLogMessage << "Called Dw "<<ncall<<" times in "<<t1-t0<<" us"<<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;
     std::cout<<GridLogMessage << "mflop/s per rank =  "<< flops/(t1-t0)/NP<<std::endl;
     std::cout<<GridLogMessage << "mflop/s per node =  "<< flops/(t1-t0)/NN<<std::endl;
-    std::cout<<GridLogMessage << "RF  GiB/s (base 2) =   "<< 1000000. * data_rf/((t1-t0))<<std::endl;
-    std::cout<<GridLogMessage << "mem GiB/s (base 2) =   "<< 1000000. * data_mem/((t1-t0))<<std::endl;
+    //    std::cout<<GridLogMessage << "RF  GiB/s (base 2) =   "<< 1000000. * data_rf/((t1-t0))<<std::endl;
+    //    std::cout<<GridLogMessage << "mem GiB/s (base 2) =   "<< 1000000. * data_mem/((t1-t0))<<std::endl;
     err = ref-result;
     std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<<std::endl;
-    //exit(0);
 
     if(( norm2(err)>1.0e-4) ) {
-      /*
-      std::cout << "RESULT\n " << result<<std::endl;
-      std::cout << "REF   \n " << ref   <<std::endl;
-      std::cout << "ERR   \n " << err   <<std::endl;
-      */
       std::cout<<GridLogMessage << "WRONG RESULT" << std::endl;
       FGrid->Barrier();
       exit(-1);
     }
     assert (norm2(err)< 1.0e-4 );
-    Dw.Report();
   }
 
   if (1)
@@ -286,21 +338,20 @@ int main (int argc, char ** argv)
     }
     ref = -0.5*ref;
   }
-  //  dump=1;
-  Dw.Dhop(src,result,1);
+
+  Dw.Dhop(src,result,DaggerYes);
+
+  std::cout << GridLogMessage << "----------------------------------------------------------------" << std::endl;
   std::cout << GridLogMessage << "Compare to naive wilson implementation Dag to verify correctness" << std::endl;
+  std::cout << GridLogMessage << "----------------------------------------------------------------" << std::endl;
+
   std::cout<<GridLogMessage << "Called DwDag"<<std::endl;
   std::cout<<GridLogMessage << "norm dag result "<< norm2(result)<<std::endl;
   std::cout<<GridLogMessage << "norm dag ref    "<< norm2(ref)<<std::endl;
   err = ref-result;
   std::cout<<GridLogMessage << "norm dag diff   "<< norm2(err)<<std::endl;
-  if((norm2(err)>1.0e-4)){
-/*
-	std::cout<< "DAG RESULT\n "  <<ref     << std::endl;
-	std::cout<< "DAG sRESULT\n " <<result  << std::endl;
-	std::cout<< "DAG ERR   \n "  << err    <<std::endl;
-*/
-  }
+  assert((norm2(err)<1.0e-4));
+  
   LatticeFermionF src_e (FrbGrid);
   LatticeFermionF src_o (FrbGrid);
   LatticeFermionF r_e   (FrbGrid);
@@ -330,7 +381,6 @@ int main (int argc, char ** argv)
   if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
   std::cout << GridLogMessage<< "*********************************************************" <<std::endl;
   {
-    Dw.ZeroCounters();
     FGrid->Barrier();
     Dw.DhopEO(src_o,r_e,DaggerNo);
     double t0=usecond();
@@ -352,7 +402,6 @@ int main (int argc, char ** argv)
     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;
     std::cout<<GridLogMessage << "Deo mflop/s per node   "<< flops/(t1-t0)/NN<<std::endl;
-    Dw.Report();
   }
   Dw.DhopEO(src_o,r_e,DaggerNo);
   Dw.DhopOE(src_e,r_o,DaggerNo);
@@ -367,13 +416,7 @@ int main (int argc, char ** argv)
 
   err = r_eo-result;
   std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<<std::endl;
-  if((norm2(err)>1.0e-4)){
-    /*
-	std::cout<< "Deo RESULT\n " <<r_eo << std::endl;
-	std::cout<< "Deo REF\n " <<result  << std::endl;
-	std::cout<< "Deo ERR   \n " << err <<std::endl;
-    */
-  }
+  assert(norm2(err)<1.0e-4);
 
   pickCheckerboard(Even,src_e,err);
   pickCheckerboard(Odd,src_o,err);
@@ -382,6 +425,4 @@ int main (int argc, char ** argv)
 
   assert(norm2(src_e)<1.0e-4);
   assert(norm2(src_o)<1.0e-4);
-  Grid_finalize();
-  exit(0);
 }

examples/Example_Laplacian.cc

@@ -324,7 +324,7 @@ int main(int argc, char ** argv)
 
   U_GT = U;
   // Make a random xform to teh gauge field
-  SU<Nc>::RandomGaugeTransform(RNG,U_GT,g); // Unit gauge
+  SU<Nc>::RandomGaugeTransform<PeriodicGimplR>(RNG,U_GT,g); // Unit gauge
 
   Field in_GT(&Grid); 
   Field out_GT(&Grid);

scripts/hmc.sh

@@ -1,27 +1,19 @@
 #!/bin/bash
 
 LOG=$1
-SWEEPS=`grep dH.= $LOG | wc -l`
-SWEEPS=`expr $SWEEPS - 100`
+SWEEPS=`grep dH $LOG | wc -l`
+SWEEPS=`expr $SWEEPS - 80`
 echo
 echo $SWEEPS thermalised sweeps
 echo
-plaq=`grep Plaq $LOG | tail -n $SWEEPS | awk '{ S=S+$12} END { print S/NR} ' `
-plaqe=`grep Plaq $LOG | tail -n $SWEEPS | awk '{ S=S+$12 ; SS=SS+$12*$12 } END { print sqrt( (SS/NR - S*S/NR/NR)/NR) } ' `
+plaq=`grep Plaq $LOG | tail -n $SWEEPS | awk '{ S=S+$10} END { print S/NR} ' `
+plaqe=`grep Plaq $LOG | tail -n $SWEEPS | awk '{ S=S+$10 ; SS=SS+$10*$10 } END { print sqrt( (SS/NR - S*S/NR/NR)/NR) } ' `
 echo "Plaquette: $plaq (${plaqe})"
 echo
 
-grep  Plaq $LOG | tail -n $SWEEPS | awk '{ S=S+$12/20; if(NR%20==0){ print NR/20, " ", S; S=0;} } '  > plaq.binned
-
-plaq=`cat plaq.binned  | awk '{ S=S+$2} END { print S/NR} ' `
-plaqe=`cat plaq.binned | awk '{ S=S+$2 ; SS=SS+$2*$2 } END { print sqrt( (SS/NR - S*S/NR/NR)/NR) } ' `
-echo "Binned Plaquette: $plaq (${plaqe})"
-echo
-
-dHv=`grep dH.= $LOG | tail -n $SWEEPS | awk '{ S=S+$16 ; SS=SS+$16*$16 } END { print sqrt(SS/NR) } ' `
-edH=`grep dH.= $LOG | tail -n $SWEEPS | awk '{ S=S+exp(-$16)} END { print S/NR} '`
-dedH=`grep dH.= $LOG | tail -n $SWEEPS | awk '{ S=S+exp(-$16); SS=SS+exp(-$16)*exp(-$16)} END { print sqrt( (SS/NR - S*S/NR/NR)/NR) } '`
-echo "<e-dH>: $edH (${dedH})"
+dHv=`grep dH $LOG | tail -n $SWEEPS | awk '{ S=S+$10 ; SS=SS+$10*$10 } END { print sqrt(SS/NR) } ' `
+edH=`grep dH $LOG | tail -n $SWEEPS | awk '{ S=S+exp(-$10)} END { print S/NR} '`
+echo "<e-dH>: $edH"
 echo "<rms dH>: $dHv"
 
 TRAJ=`grep Acc $LOG | wc -l`
@@ -30,13 +22,12 @@ PACC=`expr  100 \* ${ACC} / ${TRAJ} `
 echo
 echo "Acceptance $PACC %  $ACC / $TRAJ "
 
-grep Plaq $LOG | awk '{ print $12 }' | uniq > plaq.dat
-grep dH.= $LOG | awk '{ print $16 }' > dH.dat
-echo set yrange [0.58:0.60] > plot.gnu
+grep Plaq $LOG | awk '{ print $10 }' | uniq > plaq.dat
+grep dH $LOG | awk '{ print $10 }' > dH.dat
+echo set yrange [-0.2:1.0] > plot.gnu
 echo set terminal 'pdf' >> plot.gnu
-echo "f(x) =0.588" >> plot.gnu
 echo "set output 'plaq.${LOG}.pdf'" >> plot.gnu
-echo "plot 'plaq.dat' w l, f(x) " >> plot.gnu
+echo "plot 'plaq.dat' w l, 'dH.dat' w l " >> plot.gnu
 echo
 gnuplot plot.gnu >& gnu.errs
 open plaq.${LOG}.pdf

systems/Crusher/comms.slurm

@@ -0,0 +1,26 @@
+#!/bin/bash
+# Begin LSF Directives
+#SBATCH -A LGT104
+#SBATCH -t 01:00:00
+##SBATCH -U openmpThu
+#SBATCH -p ecp
+#SBATCH -J comms
+#SBATCH -o comms.%J
+#SBATCH -e comms.%J
+#SBATCH -N 1
+#SBATCH -n 2
+
+DIR=.
+module list
+export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
+export MPICH_GPU_SUPPORT_ENABLED=1
+#export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
+#export MPICH_SMP_SINGLE_COPY_MODE=CMA
+export MPICH_SMP_SINGLE_COPY_MODE=NONE
+export OMP_NUM_THREADS=8
+
+AT=8
+echo MPICH_SMP_SINGLE_COPY_MODE $MPICH_SMP_SINGLE_COPY_MODE
+PARAMS=" --accelerator-threads ${AT} --grid 64.64.32.32 --mpi 2.1.1.1 "
+srun -n2 --label -c$OMP_NUM_THREADS --gpus-per-task=1 ./mpiwrapper.sh ./benchmarks/Benchmark_comms_host_device $PARAMS
+

systems/Crusher/config-command

@@ -5,6 +5,8 @@
 --enable-gen-simd-width=64 \
 --enable-simd=GPU \
 --disable-fermion-reps \
+--with-gmp=$OLCF_GMP_ROOT \
+--with-mpfr=/opt/cray/pe/gcc/mpfr/3.1.4/ \
 --disable-gparity \
 CXX=hipcc MPICXX=mpicxx \
 CXXFLAGS="-fPIC -I/opt/rocm-4.5.0/include/ -std=c++14 -I${MPICH_DIR}/include " \

systems/Crusher/dwf.slurm

@@ -3,28 +3,28 @@
 #SBATCH -A LGT104
 #SBATCH -t 01:00:00
 ##SBATCH -U openmpThu
-##SBATCH -p ecp
 #SBATCH -J DWF
 #SBATCH -o DWF.%J
 #SBATCH -e DWF.%J
 #SBATCH -N 1
-#SBATCH -n 1
-#SBATCH --exclusive  
+#SBATCH -n 8
+#SBATCH --exclusive
+#SBATCH --gpu-bind=map_gpu:0,1,2,3,7,6,5,4
 
 DIR=.
 module list
-#export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
+export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
 export MPICH_GPU_SUPPORT_ENABLED=1
-export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
-#export MPICH_SMP_SINGLE_COPY_MODE=NONE
+#export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
+export MPICH_SMP_SINGLE_COPY_MODE=NONE
 #export MPICH_SMP_SINGLE_COPY_MODE=CMA
 export OMP_NUM_THREADS=1
 
-AT=8
 echo MPICH_SMP_SINGLE_COPY_MODE $MPICH_SMP_SINGLE_COPY_MODE
 
-PARAMS=" --accelerator-threads ${AT} --grid 24.24.24.24 --shm-mpi 0 --mpi 1.1.1.1"
-
-srun --gpus-per-task 1 -n1 ./benchmarks/Benchmark_dwf_fp32 $PARAMS
+PARAMS=" --accelerator-threads 16 --grid 32.32.32.256 --mpi 1.1.1.8 --comms-overlap --shm 2048 --shm-mpi 0"
+echo $PARAMS
+srun --gpus-per-task 1 -n8  ./benchmarks/Benchmark_dwf_fp32 $PARAMS
+
 
 

systems/Crusher/dwf8.slurm

@@ -6,22 +6,43 @@
 #SBATCH -J DWF
 #SBATCH -o DWF.%J
 #SBATCH -e DWF.%J
-#SBATCH -N 1
-#SBATCH -n 8
+#SBATCH -N 8
+#SBATCH -n 64
 #SBATCH --exclusive
+#SBATCH --gpu-bind=map_gpu:0,1,2,3,7,6,5,4
 
 DIR=.
 module list
+export MPICH_OFI_NIC_POLICY=GPU
 export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
 export MPICH_GPU_SUPPORT_ENABLED=1
-export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
-#export MPICH_SMP_SINGLE_COPY_MODE=NONE
+#export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
 #export MPICH_SMP_SINGLE_COPY_MODE=CMA
+export MPICH_SMP_SINGLE_COPY_MODE=NONE
 export OMP_NUM_THREADS=1
 
 echo MPICH_SMP_SINGLE_COPY_MODE $MPICH_SMP_SINGLE_COPY_MODE
-PARAMS=" --accelerator-threads 8 --grid 32.64.64.64 --mpi 1.2.2.2 --comms-overlap --shm 2048 --shm-mpi 0"
 
-srun --gpus-per-task 1 -n8 ./mpiwrapper.sh ./benchmarks/Benchmark_dwf_fp32 $PARAMS
+PARAMS=" --accelerator-threads 16 --grid 64.64.64.256 --mpi 2.2.2.8 --comms-overlap --shm 2048 --shm-mpi 0"
+echo $PARAMS
+#srun --gpus-per-task 1 -N8 -n64  ./benchmarks/Benchmark_dwf_fp32 $PARAMS > dwf.64.64.64.256.8node
+
+
+PARAMS=" --accelerator-threads 16 --grid 64.64.64.32 --mpi 4.4.4.1 --comms-overlap --shm 2048 --shm-mpi 1"
+echo $PARAMS
+srun --gpus-per-task 1 -N8 -n64  ./benchmarks/Benchmark_dwf_fp32 $PARAMS > dwf.64.64.64.32.8node
+
+PARAMS=" --accelerator-threads 16 --grid 64.64.64.32 --mpi 4.4.4.1 --comms-overlap --shm 2048 --shm-mpi 0"
+echo $PARAMS
+#srun --gpus-per-task 1 -N8 -n64  ./benchmarks/Benchmark_dwf_fp32 $PARAMS > dwf.64.64.64.32.8node.shm0
+
+PARAMS=" --accelerator-threads 16 --grid 64.64.64.32 --mpi 2.2.2.8 --comms-overlap --shm 2048 --shm-mpi 1"
+echo $PARAMS
+#srun --gpus-per-task 1 -N8 -n64  ./benchmarks/Benchmark_ITT $PARAMS > itt.8node
+
+PARAMS=" --accelerator-threads 16 --grid 64.64.64.32 --mpi 2.2.2.8 --comms-overlap --shm 2048 --shm-mpi 0"
+echo $PARAMS
+#srun --gpus-per-task 1 -N8 -n64  ./benchmarks/Benchmark_ITT $PARAMS > itt.8node_shm0
+
 
 

systems/Crusher/mpiwrapper.sh

@@ -1,10 +1,11 @@
 #!/bin/bash
 
 lrank=$SLURM_LOCALID
+lgpu=(0 1 2 3 7 6 5 4)
 
-export ROCR_VISIBLE_DEVICES=$SLURM_LOCALID
+export ROCR_VISIBLE_DEVICES=${lgpu[$lrank]}
 
-echo "`hostname` - $lrank device=$ROCR_VISIBLE_DEVICES binding=$BINDING"
+echo "`hostname` - $lrank device=$ROCR_VISIBLE_DEVICES "
 
 $*
 

systems/Crusher/sourceme.sh

@@ -3,3 +3,4 @@ module load rocm/4.5.0
 module load gmp
 module load cray-fftw
 module load craype-accel-amd-gfx90a
+export LD_LIBRARY_PATH=/opt/gcc/mpfr/3.1.4/lib:$LD_LIBRARY_PATH

systems/Spock/config-command

@@ -6,6 +6,8 @@
 --enable-simd=GPU \
 --disable-fermion-reps \
 --disable-gparity \
+--with-gmp=$OLCF_GMP_ROOT \
+--with-mpfr=/opt/cray/pe/gcc/mpfr/3.1.4/ \
 CXX=hipcc MPICXX=mpicxx \
 CXXFLAGS="-fPIC -I/opt/rocm-4.3.0/include/ -std=c++14 -I${MPICH_DIR}/include " \
 --prefix=/ccs/home/chulwoo/Grid \

systems/Spock/dwf8.slurm

@@ -1,8 +1,7 @@
 #!/bin/bash
 # Begin LSF Directives
 #SBATCH -A LGT104
-#SBATCH -t 01:00:00
-##SBATCH -U openmpThu
+#SBATCH -t 3:00:00
 #SBATCH -p ecp
 #SBATCH -J DWF
 #SBATCH -o DWF.%J
@@ -14,13 +13,12 @@ DIR=.
 module list
 export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
 export MPICH_GPU_SUPPORT_ENABLED=1
-#export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
-export MPICH_SMP_SINGLE_COPY_MODE=NONE
-#export MPICH_SMP_SINGLE_COPY_MODE=CMA
+export MPICH_SMP_SINGLE_COPY_MODE=CMA
+
 export OMP_NUM_THREADS=8
 
 AT=8
 echo MPICH_SMP_SINGLE_COPY_MODE $MPICH_SMP_SINGLE_COPY_MODE
-PARAMS=" --accelerator-threads ${AT} --grid 32.64.64.64 --mpi 1.2.2.2 --comms-overlap --shm 2048 --shm-mpi 0"
-srun -n8 --label -c$OMP_NUM_THREADS --gpus-per-task=1 ./mpiwrapper.sh ./benchmarks/Benchmark_dwf_fp32 $PARAMS
+PARAMS=" --accelerator-threads ${AT} --grid 16.16.16.48 --mpi 1.2.2.2 --comms-overlap --shm 2048 --shm-mpi 0"
+srun -N2 -n8 --label -c$OMP_NUM_THREADS --gpus-per-task=1 ./mpiwrapper.sh ./HMC/Mobius2p1f_DD_RHMC $PARAMS
 

systems/Spock/sourceme.sh

@@ -1,5 +1,9 @@
+module load emacs
 module load PrgEnv-gnu
-module load rocm/4.3.0
+module load rocm/4.5.0
 module load gmp
 module load cray-fftw
 module load craype-accel-amd-gfx908
+export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
+export MPICH_GPU_SUPPORT_ENABLED=1
+export LD_LIBRARY_PATH=/opt/cray/pe/gcc/mpfr/3.1.4/lib/:$LD_LIBRARY_PATH

systems/Tursa/dwf.4node.perf

@@ -1,25 +1,25 @@
-tu-c0r0n00 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n00 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n09 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n00 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n06 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n06 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n09 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n09 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n03 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n06 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n09 - 3 device=3 binding=--interleave=6,7
-tu-c0r0n00 - 3 device=3 binding=--interleave=6,7
-tu-c0r0n03 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n03 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n06 - 3 device=3 binding=--interleave=6,7
-tu-c0r0n03 - 3 device=3 binding=--interleave=6,7
+tu-c0r3n00 - 0 device=0 binding=--interleave=0,1
+tu-c0r3n00 - 1 device=1 binding=--interleave=2,3
+tu-c0r3n00 - 2 device=2 binding=--interleave=4,5
+tu-c0r3n00 - 3 device=3 binding=--interleave=6,7
+tu-c0r3n06 - 1 device=1 binding=--interleave=2,3
+tu-c0r3n06 - 3 device=3 binding=--interleave=6,7
+tu-c0r3n06 - 0 device=0 binding=--interleave=0,1
+tu-c0r3n06 - 2 device=2 binding=--interleave=4,5
+tu-c0r3n03 - 1 device=1 binding=--interleave=2,3
+tu-c0r3n03 - 2 device=2 binding=--interleave=4,5
+tu-c0r3n03 - 0 device=0 binding=--interleave=0,1
+tu-c0r3n03 - 3 device=3 binding=--interleave=6,7
+tu-c0r3n09 - 0 device=0 binding=--interleave=0,1
+tu-c0r3n09 - 1 device=1 binding=--interleave=2,3
+tu-c0r3n09 - 2 device=2 binding=--interleave=4,5
+tu-c0r3n09 - 3 device=3 binding=--interleave=6,7
 OPENMPI detected
 AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
 AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
 OPENMPI detected
 AcceleratorCudaInit[0]: ========================
 AcceleratorCudaInit[0]: Device Number    : 0
@@ -33,11 +33,41 @@ AcceleratorCudaInit[0]:   pciBusID: 3
 AcceleratorCudaInit[0]:   pciDeviceID: 0 
 AcceleratorCudaInit[0]: maxGridSize (2147483647,65535,65535)
 AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
 AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
 OPENMPI detected
+AcceleratorCudaInit: using default device 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
+AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
+OPENMPI detected
+AcceleratorCudaInit: using default device 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
+AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
+OPENMPI detected
+AcceleratorCudaInit: using default device 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
+AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
+OPENMPI detected
+OPENMPI detected
+AcceleratorCudaInit: using default device 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
+AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
+OPENMPI detected
+AcceleratorCudaInit: using default device 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
+AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
 AcceleratorCudaInit[0]: ========================
 AcceleratorCudaInit[0]: Device Number    : 0
 AcceleratorCudaInit[0]: ========================
@@ -50,43 +80,25 @@ AcceleratorCudaInit[0]:   pciBusID: 3
 AcceleratorCudaInit[0]:   pciDeviceID: 0 
 AcceleratorCudaInit[0]: maxGridSize (2147483647,65535,65535)
 AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
 AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
+local rank 1 device 0 bus id: 0000:44:00.0
 AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
+local rank 0 device 0 bus id: 0000:03:00.0
 AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
 AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
 AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
 AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
 AcceleratorCudaInit: ================================================
+local rank 0 device 0 bus id: 0000:03:00.0
+AcceleratorCudaInit: ================================================
+AcceleratorCudaInit: ================================================
+local rank 2 device 0 bus id: 0000:84:00.0
 SharedMemoryMpi:  World communicator of size 16
 SharedMemoryMpi:  Node  communicator of size 4
-0SharedMemoryMpi:  SharedMemoryMPI.cc acceleratorAllocDevice 2147483648bytes at 0x7fcd80000000 for comms buffers 
+0SharedMemoryMpi:  SharedMemoryMPI.cc acceleratorAllocDevice 2147483648bytes at 0x153960000000 for comms buffers 
 Setting up IPC
 
 __|__|__|__|__|__|__|__|__|__|__|__|__|__|__
@@ -116,7 +128,7 @@ 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.
-Current Grid git commit hash=9d2238148c56e3fbadfa95dcabf2b83d4bde14cd: (HEAD -> develop) uncommited changes
+Current Grid git commit hash=da06d15f73184ceb15d66d4e7e702b02fed7b940: (HEAD -> feature/dirichlet, develop) uncommited changes
 
 Grid : Message : ================================================ 
 Grid : Message : MPI is initialised and logging filters activated 
@@ -124,122 +136,102 @@ Grid : Message : ================================================
 Grid : Message : Requested 2147483648 byte stencil comms buffers 
 Grid : Message : MemoryManager Cache 34004218675 bytes 
 Grid : Message : MemoryManager::Init() setting up
-Grid : Message : MemoryManager::Init() cache pool for recent allocations: SMALL 32 LARGE 8
+Grid : Message : MemoryManager::Init() cache pool for recent allocations: SMALL 8 LARGE 2
 Grid : Message : MemoryManager::Init() Non unified: Caching accelerator data in dedicated memory
 Grid : Message : MemoryManager::Init() Using cudaMalloc
-Grid : Message : 1.198523 s : Grid Layout
-Grid : Message : 1.198530 s : 	Global lattice size  : 64 64 64 64 
-Grid : Message : 1.198534 s : 	OpenMP threads       : 4
-Grid : Message : 1.198535 s : 	MPI tasks            : 2 2 2 2 
-Grid : Message : 1.397615 s : Making s innermost grids
-Grid : Message : 1.441828 s : Initialising 4d RNG
-Grid : Message : 1.547973 s : Intialising parallel RNG with unique string 'The 4D RNG'
-Grid : Message : 1.547998 s : Seed SHA256: 49db4542db694e3b1a74bf2592a8c1b83bfebbe18401693c2609a4c3af1
-Grid : Message : 1.954777 s : Initialising 5d RNG
-Grid : Message : 3.633825 s : Intialising parallel RNG with unique string 'The 5D RNG'
-Grid : Message : 3.633869 s : Seed SHA256: b6316f2fac44ce14111f93e0296389330b077bfd0a7b359f781c58589f8a
-Grid : Message : 12.162710 s : Initialised RNGs
-Grid : Message : 15.882520 s : Drawing gauge field
-Grid : Message : 15.816362 s : Random gauge initialised 
-Grid : Message : 17.279671 s : Setting up Cshift based reference 
-Grid : Message : 26.331426 s : *****************************************************************
-Grid : Message : 26.331452 s : * Kernel options --dslash-generic, --dslash-unroll, --dslash-asm
-Grid : Message : 26.331454 s : *****************************************************************
-Grid : Message : 26.331456 s : *****************************************************************
-Grid : Message : 26.331458 s : * Benchmarking DomainWallFermionR::Dhop                  
-Grid : Message : 26.331459 s : * Vectorising space-time by 8
-Grid : Message : 26.331463 s : * VComplexF size is 64 B
-Grid : Message : 26.331465 s : * SINGLE precision 
-Grid : Message : 26.331467 s : * Using Overlapped Comms/Compute
-Grid : Message : 26.331468 s : * Using GENERIC Nc WilsonKernels
-Grid : Message : 26.331469 s : *****************************************************************
-Grid : Message : 28.413717 s : Called warmup
-Grid : Message : 56.418423 s : Called Dw 3000 times in 2.80047e+07 us
-Grid : Message : 56.418476 s : mflop/s =   3.79581e+07
-Grid : Message : 56.418479 s : mflop/s per rank =  2.37238e+06
-Grid : Message : 56.418481 s : mflop/s per node =  9.48953e+06
-Grid : Message : 56.418483 s : RF  GiB/s (base 2) =   77130
-Grid : Message : 56.418485 s : mem GiB/s (base 2) =   48206.3
-Grid : Message : 56.422076 s : norm diff   1.03481e-13
-Grid : Message : 56.456894 s : #### Dhop calls report 
-Grid : Message : 56.456899 s : WilsonFermion5D Number of DhopEO Calls   : 6002
-Grid : Message : 56.456903 s : WilsonFermion5D TotalTime   /Calls        : 4710.93 us
-Grid : Message : 56.456905 s : WilsonFermion5D CommTime    /Calls        : 3196.15 us
-Grid : Message : 56.456908 s : WilsonFermion5D FaceTime    /Calls        : 494.392 us
-Grid : Message : 56.456910 s : WilsonFermion5D ComputeTime1/Calls        : 44.4107 us
-Grid : Message : 56.456912 s : WilsonFermion5D ComputeTime2/Calls        : 1037.75 us
-Grid : Message : 56.456921 s : Average mflops/s per call                : 3.55691e+09
-Grid : Message : 56.456925 s : Average mflops/s per call per rank       : 2.22307e+08
-Grid : Message : 56.456928 s : Average mflops/s per call per node       : 8.89228e+08
-Grid : Message : 56.456930 s : Average mflops/s per call (full)         : 3.82915e+07
-Grid : Message : 56.456933 s : Average mflops/s per call per rank (full): 2.39322e+06
-Grid : Message : 56.456952 s : Average mflops/s per call per node (full): 9.57287e+06
-Grid : Message : 56.456954 s : WilsonFermion5D Stencil
-Grid : Message : 56.457016 s :  Stencil calls 3001
-Grid : Message : 56.457022 s :  Stencil halogtime 0
-Grid : Message : 56.457024 s :  Stencil gathertime 55.9154
-Grid : Message : 56.457026 s :  Stencil gathermtime 20.1073
-Grid : Message : 56.457028 s :  Stencil mergetime 18.5585
-Grid : Message : 56.457030 s :  Stencil decompresstime 0.0639787
-Grid : Message : 56.457032 s :  Stencil comms_bytes 4.02653e+08
-Grid : Message : 56.457034 s :  Stencil commtime 6379.93
-Grid : Message : 56.457036 s :  Stencil 63.1124 GB/s per rank
-Grid : Message : 56.457038 s :  Stencil 252.45 GB/s per node
-Grid : Message : 56.457040 s : WilsonFermion5D StencilEven
-Grid : Message : 56.457048 s : WilsonFermion5D StencilOdd
-Grid : Message : 56.457062 s : WilsonFermion5D Stencil     Reporti()
-Grid : Message : 56.457065 s : WilsonFermion5D StencilEven Reporti()
-Grid : Message : 56.457066 s : WilsonFermion5D StencilOdd  Reporti()
-Grid : Message : 79.259261 s : Compare to naive wilson implementation Dag to verify correctness
-Grid : Message : 79.259287 s : Called DwDag
-Grid : Message : 79.259288 s : norm dag result 12.0421
-Grid : Message : 79.271740 s : norm dag ref    12.0421
-Grid : Message : 79.287759 s : norm dag diff   7.63236e-14
-Grid : Message : 79.328100 s : Calling Deo and Doe and //assert Deo+Doe == Dunprec
-Grid : Message : 79.955951 s : src_e0.499997
-Grid : Message : 80.633620 s : src_o0.500003
-Grid : Message : 80.164163 s : *********************************************************
-Grid : Message : 80.164168 s : * Benchmarking DomainWallFermionF::DhopEO                
-Grid : Message : 80.164170 s : * Vectorising space-time by 8
-Grid : Message : 80.164172 s : * SINGLE precision 
-Grid : Message : 80.164174 s : * Using Overlapped Comms/Compute
-Grid : Message : 80.164177 s : * Using GENERIC Nc WilsonKernels
-Grid : Message : 80.164178 s : *********************************************************
-Grid : Message : 93.797635 s : Deo mflop/s =   3.93231e+07
-Grid : Message : 93.797670 s : Deo mflop/s per rank   2.45769e+06
-Grid : Message : 93.797672 s : Deo mflop/s per node   9.83077e+06
-Grid : Message : 93.797674 s : #### Dhop calls report 
-Grid : Message : 93.797675 s : WilsonFermion5D Number of DhopEO Calls   : 3001
-Grid : Message : 93.797677 s : WilsonFermion5D TotalTime   /Calls        : 4542.83 us
-Grid : Message : 93.797679 s : WilsonFermion5D CommTime    /Calls        : 2978.97 us
-Grid : Message : 93.797681 s : WilsonFermion5D FaceTime    /Calls        : 602.287 us
-Grid : Message : 93.797683 s : WilsonFermion5D ComputeTime1/Calls        : 67.1416 us
-Grid : Message : 93.797685 s : WilsonFermion5D ComputeTime2/Calls        : 1004.07 us
-Grid : Message : 93.797713 s : Average mflops/s per call                : 3.30731e+09
-Grid : Message : 93.797717 s : Average mflops/s per call per rank       : 2.06707e+08
-Grid : Message : 93.797719 s : Average mflops/s per call per node       : 8.26827e+08
-Grid : Message : 93.797721 s : Average mflops/s per call (full)         : 3.97084e+07
-Grid : Message : 93.797727 s : Average mflops/s per call per rank (full): 2.48178e+06
-Grid : Message : 93.797732 s : Average mflops/s per call per node (full): 9.92711e+06
-Grid : Message : 93.797735 s : WilsonFermion5D Stencil
-Grid : Message : 93.797746 s : WilsonFermion5D StencilEven
-Grid : Message : 93.797758 s : WilsonFermion5D StencilOdd
-Grid : Message : 93.797769 s :  Stencil calls 3001
-Grid : Message : 93.797773 s :  Stencil halogtime 0
-Grid : Message : 93.797776 s :  Stencil gathertime 56.7458
-Grid : Message : 93.797780 s :  Stencil gathermtime 22.6504
-Grid : Message : 93.797782 s :  Stencil mergetime 21.1913
-Grid : Message : 93.797786 s :  Stencil decompresstime 0.0556481
-Grid : Message : 93.797788 s :  Stencil comms_bytes 2.01327e+08
-Grid : Message : 93.797791 s :  Stencil commtime 2989.33
-Grid : Message : 93.797795 s :  Stencil 67.3484 GB/s per rank
-Grid : Message : 93.797798 s :  Stencil 269.394 GB/s per node
-Grid : Message : 93.797801 s : WilsonFermion5D Stencil     Reporti()
-Grid : Message : 93.797803 s : WilsonFermion5D StencilEven Reporti()
-Grid : Message : 93.797805 s : WilsonFermion5D StencilOdd  Reporti()
-Grid : Message : 93.873429 s : r_e6.02111
-Grid : Message : 93.879931 s : r_o6.02102
-Grid : Message : 93.885912 s : res12.0421
-Grid : Message : 94.876555 s : norm diff   0
-Grid : Message : 95.485643 s : norm diff even  0
-Grid : Message : 95.581236 s : norm diff odd   0
+Grid : Message : 1.875883 s : Grid Layout
+Grid : Message : 1.875893 s : 	Global lattice size  : 64 64 64 64 
+Grid : Message : 1.875897 s : 	OpenMP threads       : 4
+Grid : Message : 1.875898 s : 	MPI tasks            : 2 2 2 2 
+Grid : Message : 1.993571 s : Initialising 4d RNG
+Grid : Message : 2.881990 s : Intialising parallel RNG with unique string 'The 4D RNG'
+Grid : Message : 2.882370 s : Seed SHA256: 49db4542db694e3b1a74bf2592a8c1b83bfebbe18401693c2609a4c3af1
+Grid : Message : 2.495044 s : Initialising 5d RNG
+Grid : Message : 4.120900 s : Intialising parallel RNG with unique string 'The 5D RNG'
+Grid : Message : 4.121350 s : Seed SHA256: b6316f2fac44ce14111f93e0296389330b077bfd0a7b359f781c58589f8a
+Grid : Message : 15.268010 s : Drawing gauge field
+Grid : Message : 16.234025 s : Random gauge initialised 
+Grid : Message : 16.234057 s : Applying BCs 
+Grid : Message : 16.365565 s : Setting up Cshift based reference 
+Grid : Message : 44.512418 s : *****************************************************************
+Grid : Message : 44.512448 s : * Kernel options --dslash-generic, --dslash-unroll, --dslash-asm
+Grid : Message : 44.512450 s : *****************************************************************
+Grid : Message : 44.512451 s : *****************************************************************
+Grid : Message : 44.512452 s : * Benchmarking DomainWallFermionR::Dhop                  
+Grid : Message : 44.512453 s : * Vectorising space-time by 8
+Grid : Message : 44.512454 s : * VComplexF size is 64 B
+Grid : Message : 44.512456 s : * SINGLE precision 
+Grid : Message : 44.512459 s : * Using Overlapped Comms/Compute
+Grid : Message : 44.512460 s : * Using GENERIC Nc WilsonKernels
+Grid : Message : 44.512461 s : *****************************************************************
+Grid : Message : 46.389070 s : Called warmup
+Grid : Message : 49.211265 s : Called Dw 300 times in 2.82203e+06 us
+Grid : Message : 49.211295 s : mflop/s =   3.76681e+07
+Grid : Message : 49.211297 s : mflop/s per rank =  2.35425e+06
+Grid : Message : 49.211299 s : mflop/s per node =  9.41702e+06
+Grid : Message : 49.211301 s : RF  GiB/s (base 2) =   76540.6
+Grid : Message : 49.211308 s : mem GiB/s (base 2) =   47837.9
+Grid : Message : 49.214868 s : norm diff   1.06409e-13
+Grid : Message : 92.647781 s : Compare to naive wilson implementation Dag to verify correctness
+Grid : Message : 92.647816 s : Called DwDag
+Grid : Message : 92.647817 s : norm dag result 12.0421
+Grid : Message : 92.801806 s : norm dag ref    12.0421
+Grid : Message : 92.817724 s : norm dag diff   7.21921e-14
+Grid : Message : 92.858973 s : Calling Deo and Doe and //assert Deo+Doe == Dunprec
+Grid : Message : 93.210378 s : src_e0.499997
+Grid : Message : 93.583286 s : src_o0.500003
+Grid : Message : 93.682468 s : *********************************************************
+Grid : Message : 93.682471 s : * Benchmarking DomainWallFermionF::DhopEO                
+Grid : Message : 93.682472 s : * Vectorising space-time by 8
+Grid : Message : 93.682473 s : * SINGLE precision 
+Grid : Message : 93.682475 s : * Using Overlapped Comms/Compute
+Grid : Message : 93.682476 s : * Using GENERIC Nc WilsonKernels
+Grid : Message : 93.682477 s : *********************************************************
+Grid : Message : 95.162342 s : Deo mflop/s =   3.92487e+07
+Grid : Message : 95.162387 s : Deo mflop/s per rank   2.45305e+06
+Grid : Message : 95.162389 s : Deo mflop/s per node   9.81219e+06
+Grid : Message : 95.232801 s : r_e6.02111
+Grid : Message : 95.240061 s : r_o6.02102
+Grid : Message : 95.245975 s : res12.0421
+Grid : Message : 95.833402 s : norm diff   0
+Grid : Message : 96.573829 s : norm diff even  0
+Grid : Message : 96.868272 s : norm diff odd   0
+ Dirichlet block [0 64 64 32 32]
+Grid : Message : 97.756909 s : Grid Layout
+Grid : Message : 97.756911 s : 	Global lattice size  : 64 64 64 64 
+Grid : Message : 97.756921 s : 	OpenMP threads       : 4
+Grid : Message : 97.756922 s : 	MPI tasks            : 2 2 2 2 
+Grid : Message : 97.897085 s : Initialising 4d RNG
+Grid : Message : 97.965061 s : Intialising parallel RNG with unique string 'The 4D RNG'
+Grid : Message : 97.965097 s : Seed SHA256: 49db4542db694e3b1a74bf2592a8c1b83bfebbe18401693c2609a4c3af1
+Grid : Message : 98.367431 s : Initialising 5d RNG
+Grid : Message : 99.752745 s : Intialising parallel RNG with unique string 'The 5D RNG'
+Grid : Message : 99.752790 s : Seed SHA256: b6316f2fac44ce14111f93e0296389330b077bfd0a7b359f781c58589f8a
+Grid : Message : 111.290148 s : Drawing gauge field
+Grid : Message : 112.349289 s : Random gauge initialised 
+Grid : Message : 112.349320 s : Applying BCs 
+Grid : Message : 113.948740 s : Setting up Cshift based reference 
+Grid : Message : 140.320415 s : *****************************************************************
+Grid : Message : 140.320443 s : * Kernel options --dslash-generic, --dslash-unroll, --dslash-asm
+Grid : Message : 140.320444 s : *****************************************************************
+Grid : Message : 140.320445 s : *****************************************************************
+Grid : Message : 140.320446 s : * Benchmarking DomainWallFermionR::Dhop                  
+Grid : Message : 140.320447 s : * Vectorising space-time by 8
+Grid : Message : 140.320448 s : * VComplexF size is 64 B
+Grid : Message : 140.320450 s : * SINGLE precision 
+Grid : Message : 140.320451 s : * Using Overlapped Comms/Compute
+Grid : Message : 140.320452 s : * Using GENERIC Nc WilsonKernels
+Grid : Message : 140.320453 s : *****************************************************************
+Grid : Message : 142.296150 s : Called warmup
+Grid : Message : 144.397678 s : Called Dw 300 times in 2.36719e+06 us
+Grid : Message : 144.397700 s : mflop/s =   4.49058e+07
+Grid : Message : 144.397702 s : mflop/s per rank =  2.80661e+06
+Grid : Message : 144.397704 s : mflop/s per node =  1.12265e+07
+Grid : Message : 144.397706 s : RF  GiB/s (base 2) =   91247.6
+Grid : Message : 144.397708 s : mem GiB/s (base 2) =   57029.7
+Grid : Message : 144.401269 s : norm diff   9.78944e-14
+Grid : Message : 186.885460 s : Compare to naive wilson implementation Dag to verify correctness
+Grid : Message : 186.885492 s : Called DwDag
+Grid : Message : 186.885493 s : norm dag result 10.4157
+Grid : Message : 186.897154 s : norm dag ref    11.2266
+Grid : Message : 186.912538 s : norm dag diff   0.484633

systems/Tursa/dwf4.slurm

@@ -1,14 +1,13 @@
 #!/bin/bash
 #SBATCH -J dslash
-#SBATCH -A tc002
-#SBATCH -t 2:20:00
-#SBATCH --nodelist=tu-c0r0n[00,03,06,09]
+#SBATCH -A dp207
 #SBATCH --exclusive
 #SBATCH --nodes=4
 #SBATCH --ntasks=16
+#SBATCH --qos=standard
 #SBATCH --ntasks-per-node=4
 #SBATCH --cpus-per-task=8
-#SBATCH --time=12:00:00
+#SBATCH --time=0:05:00
 #SBATCH --partition=gpu
 #SBATCH --gres=gpu:4
 #SBATCH --output=%x.%j.out

systems/mac-arm/config-command-mpi

@@ -0,0 +1 @@
+CXX=mpicxx-openmpi-mp CXXFLAGS=-I/opt/local/include/ LDFLAGS=-L/opt/local/lib/ ../../configure --enable-simd=GEN --enable-debug --enable-comms=mpi

tests/IO/Test_field_array_io.cc

@@ -1,184 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./tests/IO/Test_field_array_io.cc
-
-    Copyright (C) 2015
-
-Author: Christopher Kelly <ckelly@bnl.gov>
-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 */
-#include <Grid/Grid.h>
-
-using namespace std;
-using namespace Grid;
-
-//This test demonstrates and checks a single-file write of an arbitrary array of fields
-
-uint64_t writeHeader(const uint32_t size, const uint32_t checksum, const std::string &format, const std::string &file){
-  std::ofstream fout(file,std::ios::out|std::ios::in);
-  fout.seekp(0,std::ios::beg);
-  fout << std::setw(10) << size << std::endl;
-  fout << std::hex << std::setw(10) << checksum << std::endl;
-  fout << format << std::endl;
-  return fout.tellp();
-}
- 
-uint64_t readHeader(uint32_t &size, uint32_t &checksum, std::string &format, const std::string &file){
-  std::ifstream fin(file);
-  std::string line;
-  getline(fin,line);
-  {
-    std::stringstream ss; ss <<line ; ss >> size;
-  }
-  getline(fin,line);
-  {
-    std::stringstream ss; ss <<line ; ss >> std::hex >> checksum;
-  }
-  getline(fin,format);
-  removeWhitespace(format);
-      
-  return fin.tellg();
-}
- 
-template<typename FieldType>
-void writeFieldArray(const std::string &file, const std::vector<FieldType> &data){
-  typedef typename FieldType::vector_object vobj;
-  typedef typename FieldType::scalar_object sobj;
-  GridBase* grid = data[0].Grid(); //assume all fields have the same Grid
-  BinarySimpleMunger<sobj, sobj> munge; //straight copy
-
-  //We need a 2-pass header write, first to establish the size, the second pass writes the checksum
-  std::string format = getFormatString<typename FieldType::vector_object>();
-
-  uint64_t offset; //leave 64 bits for header
-  if ( grid->IsBoss() ) { 
-    NerscIO::truncate(file);
-    offset = writeHeader(data.size(), 0, format, file);
-  }
-  grid->Broadcast(0,(void *)&offset,sizeof(offset)); //use as a barrier
-
-  std::cout << "Data offset write " << offset << std::endl;
-  std::cout << "Data size write " << data.size() << std::endl;
-  uint64_t field_size = uint64_t(grid->gSites()) * sizeof(sobj);
-  std::cout << "Field size = " << field_size << " B" << std::endl;
-
-  uint32_t checksum = 0;
-  for(int i=0;i<data.size();i++){
-    std::cout << "Data field write " << i << " offset " << offset << std::endl;
-    uint32_t nersc_csum,scidac_csuma,scidac_csumb;
-    BinaryIO::writeLatticeObject<vobj,sobj>(const_cast<FieldType &>(data[i]),file,munge,offset,format,
-					    nersc_csum,scidac_csuma,scidac_csumb);
-    offset += field_size;
-    checksum ^= nersc_csum + 0x9e3779b9 + (checksum<<6) + (checksum>>2);
-  }
-  std::cout << "Write checksum " << checksum << std::endl;
-
-  if ( grid->IsBoss() ) { 
-    writeHeader(data.size(), checksum, format, file);
-  }
-}
-
-
-template<typename FieldType>
-void readFieldArray(std::vector<FieldType> &data, const std::string &file){
-  typedef typename FieldType::vector_object vobj;
-  typedef typename FieldType::scalar_object sobj;
-  assert(data.size() > 0);
-  GridBase* grid = data[0].Grid(); //assume all fields have the same Grid
-  BinarySimpleUnmunger<sobj, sobj> munge; //straight copy
-  
-  uint32_t hdr_checksum, hdr_size;
-  std::string format;
-  uint64_t offset = readHeader(hdr_size, hdr_checksum, format, file);
-  
-  std::cout << "Data offset read " << offset << std::endl;  
-  std::cout << "Data size read " << hdr_size << std::endl;
-  assert(data.size() == hdr_size);
-
-  uint64_t field_size = uint64_t(grid->gSites()) * sizeof(sobj);
-
-  uint32_t checksum = 0;
-
-  for(int i=0;i<data.size();i++){
-    std::cout << "Data field read " << i << " offset " << offset << std::endl;
-    uint32_t nersc_csum,scidac_csuma,scidac_csumb;
-    BinaryIO::readLatticeObject<vobj,sobj>(data[i],file,munge,offset,format,
-					   nersc_csum,scidac_csuma,scidac_csumb);
-    offset += field_size;
-    checksum ^= nersc_csum + 0x9e3779b9 + (checksum<<6) + (checksum>>2);
-  }
-
-  std::cout << "Header checksum " << hdr_checksum << std::endl;    
-  std::cout << "Read checksum " << checksum << std::endl;
-    
-
-  assert( hdr_checksum == checksum );
-}
-
-
-
-
-int main (int argc, char ** argv)
-{
-  Grid_init(&argc,&argv);
-
-  Coordinate latt   = GridDefaultLatt();
-  Coordinate simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
-  Coordinate mpi_layout  = GridDefaultMpi();
-
-  const int Ls=8;
-
-  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(latt, simd_layout, mpi_layout);
-  GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
-  GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
-  GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
-
-  std::vector<int> seeds4({1,2,3,4});
-  std::vector<int> seeds5({5,6,7,8});
-  GridParallelRNG RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
-  GridParallelRNG RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
-
-  typedef DomainWallFermionD::FermionField FermionField;
-
-  int nfield = 20;
-  std::vector<FermionField> data(nfield, FGrid);
-
-  for(int i=0;i<data.size();i++)
-    gaussian(RNG5, data[i]);
-  
-  std::string file = "test_field_array_io.0";
-  writeFieldArray(file, data);
-
-  std::vector<FermionField> data_r(nfield, FGrid);
-  readFieldArray(data_r, file);
-  
-  for(int i=0;i<nfield;i++){
-    FermionField diff = data_r[i] - data[i];
-    RealD norm_diff = norm2(diff);
-    std::cout << "Norm2 of difference between stored and loaded data index " << i << " : " << norm_diff << std::endl;
-  }
-  
-  std::cout << "Done" << std::endl;
-
-  Grid_finalize();
-}

tests/core/Test_fft.cc

@@ -299,12 +299,12 @@ int main (int argc, char ** argv)
     SpinColourVectorD ferm; gaussian(sRNG,ferm);
     pokeSite(ferm,src,point);
 
-    const int Ls=64;
+    const int Ls=32;
     GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,&GRID);
     GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,&GRID);
 
-    RealD mass=1.0;
-    RealD M5  =0.99;
+    RealD mass=0.01;
+    RealD M5  =0.8;
     DomainWallFermionD Ddwf(Umu,*FGrid,*FrbGrid,GRID,RBGRID,mass,M5);
 
     // Momentum space prop
@@ -353,12 +353,6 @@ int main (int argc, char ** argv)
     std::cout << " Taking difference" <<std::endl;
     std::cout << "Ddwf result4 "<<norm2(result4)<<std::endl;
     std::cout << "Ddwf ref     "<<norm2(ref)<<std::endl;
-    auto twopoint = localInnerProduct(result4,result4);
-    std::vector<TComplex> pion_prop;
-    sliceSum(twopoint,pion_prop,Nd-1);
-    for(int t=0;t<pion_prop.size();t++){
-      std::cout << "Pion_prop["<<t<<"]="<<pion_prop[t]<<std::endl;
-    }
     
     diff = ref - result4;
     std::cout << "result - ref     "<<norm2(diff)<<std::endl;
@@ -389,7 +383,7 @@ int main (int argc, char ** argv)
     GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,&GRID);
     GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,&GRID);
 
-    RealD mass=1.0;
+    RealD mass=0.01;
     RealD M5  =0.8;
 
     OverlapWilsonCayleyTanhFermionD Dov(Umu,*FGrid,*FrbGrid,GRID,RBGRID,mass,M5,1.0);

tests/core/Test_fft_gfix.cc

@@ -200,6 +200,8 @@ int main (int argc, char ** argv)
       gimpl = argv[i+1];
       if(gimpl != "periodic" && gimpl != "conjugate")
 	assert(0 && "Invalid gimpl");
+      if(gimpl == "conjugate")
+	alpha = 0.025; //default alpha too large for CCBC
     }else if(sarg == "--no-fft-gfix"){
       std::cout << "Not doing the Fourier accelerated gauge fixing tests" << std::endl;
       do_fft_gfix = false;

tests/core/Test_precision_change.cc

@@ -1,114 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./tests/core/Test_precision_change.cc
-
-    Copyright (C) 2015
-
-Author: Christopher Kelly <ckelly@bnl.gov>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END LEGAL */
-#include <Grid/Grid.h>
-
-using namespace Grid;
-
-
-int main (int argc, char ** argv){
-  Grid_init(&argc, &argv);
-  int Ls = 16;
-  std::cout << GridLogMessage << "Lattice dimensions: " << GridDefaultLatt() << " and Ls=" << Ls << std::endl;
-  GridCartesian* UGrid_d = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexD::Nsimd()), GridDefaultMpi());
-  GridCartesian* FGrid_d = SpaceTimeGrid::makeFiveDimGrid(Ls, UGrid_d);
-  GridRedBlackCartesian* FrbGrid_d = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGrid_d);
-
-  GridCartesian* UGrid_f = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
-  GridCartesian* FGrid_f = SpaceTimeGrid::makeFiveDimGrid(Ls, UGrid_f);
-  GridRedBlackCartesian* FrbGrid_f = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGrid_f);
-
-
-  std::vector<int> seeds4({1, 2, 3, 4});
-  std::vector<int> seeds5({5, 6, 7, 8});
-  GridParallelRNG RNG5(FGrid_d);
-  RNG5.SeedFixedIntegers(seeds5);
-  GridParallelRNG RNG4(UGrid_d);
-  RNG4.SeedFixedIntegers(seeds4);
-
-  //Gauge fields
-  LatticeGaugeFieldD Umu_d(UGrid_d);
-  LatticeGaugeFieldF Umu_f(UGrid_f);
-  LatticeGaugeFieldD Umu_d_r(UGrid_d);
-  LatticeGaugeFieldD Utmp_d(UGrid_d);
-
-  for(int i=0;i<5;i++){
-    random(RNG4, Umu_d);
-
-    precisionChange(Umu_f, Umu_d);
-    std::cout << GridLogMessage << "Norm of double-prec and single-prec gauge fields (should be ~equal): " << norm2(Umu_d) << " " << norm2(Umu_f) << std::endl;
-    precisionChange(Umu_d_r, Umu_f);
-    RealD normdiff = axpy_norm(Utmp_d, -1.0, Umu_d_r, Umu_d);
-    std::cout << GridLogMessage << "Norm of difference of back-converted double-prec gauge fields (should be ~0) = " << normdiff << std::endl;
-  }
-
-  //Fermion fields
-  LatticeFermionD psi_d(FGrid_d);
-  LatticeFermionF psi_f(FGrid_f);
-  LatticeFermionD psi_d_r(FGrid_d);
-  LatticeFermionD psi_tmp_d(FGrid_d);
-
-  for(int i=0;i<5;i++){
-    random(RNG5, psi_d);
-
-    precisionChange(psi_f, psi_d);
-    std::cout << GridLogMessage << "Norm of double-prec and single-prec fermion fields (should be ~equal): " << norm2(psi_d) << " " << norm2(psi_f) << std::endl;
-    precisionChange(psi_d_r, psi_f);
-    RealD normdiff = axpy_norm(psi_tmp_d, -1.0, psi_d_r, psi_d);
-    std::cout << GridLogMessage << "Norm of difference of back-converted double-prec fermion fields (should be ~0)= " << normdiff << std::endl;
-  }
-
-  //Checkerboarded fermion fields
-  LatticeFermionD psi_cb_d(FrbGrid_d);
-  LatticeFermionF psi_cb_f(FrbGrid_f);
-  LatticeFermionD psi_cb_d_r(FrbGrid_d);
-  LatticeFermionD psi_cb_tmp_d(FrbGrid_d);
-
-  for(int i=0;i<5;i++){
-    random(RNG5, psi_d);
-    pickCheckerboard(Odd, psi_cb_d, psi_d);
-     
-    precisionChange(psi_cb_f, psi_cb_d);
-    std::cout << GridLogMessage << "Norm of odd-cb double-prec and single-prec fermion fields (should be ~equal): " << norm2(psi_cb_d) << " " << norm2(psi_cb_f) << std::endl;
-    precisionChange(psi_cb_d_r, psi_cb_f);
-    RealD normdiff = axpy_norm(psi_cb_tmp_d, -1.0, psi_cb_d_r, psi_cb_d);
-    std::cout << GridLogMessage << "Norm of difference of back-converted odd-cb double-prec fermion fields (should be ~0)= " << normdiff << std::endl;
-
-
-    pickCheckerboard(Even, psi_cb_d, psi_d);
-     
-    precisionChange(psi_cb_f, psi_cb_d);
-    std::cout << GridLogMessage << "Norm of even-cb double-prec and single-prec fermion fields (should be ~equal): " << norm2(psi_cb_d) << " " << norm2(psi_cb_f) << std::endl;
-    precisionChange(psi_cb_d_r, psi_cb_f);
-    normdiff = axpy_norm(psi_cb_tmp_d, -1.0, psi_cb_d_r, psi_cb_d);
-    std::cout << GridLogMessage << "Norm of difference of back-converted even-cb double-prec fermion fields (should be ~0)= " << normdiff << std::endl;
-  }
-
-
-
-  Grid_finalize();
-}

tests/forces/Test_gpdwf_force.cc

@@ -93,28 +93,16 @@ int main (int argc, char ** argv)
   ////////////////////////////////////
   // Modify the gauge field a little 
   ////////////////////////////////////
-  RealD dt = 0.01;
+  RealD dt = 0.0001;
 
-  LatticeColourMatrix zz(UGrid); zz=Zero();
   LatticeColourMatrix mommu(UGrid); 
   LatticeColourMatrix forcemu(UGrid); 
   LatticeGaugeField mom(UGrid); 
   LatticeGaugeField Uprime(UGrid); 
 
-  const int Lnu=latt_size[nu];
-  Lattice<iScalar<vInteger> > coor(UGrid);
-  LatticeCoordinate(coor,nu);
   for(int mu=0;mu<Nd;mu++){
 
-    // Traceless antihermitian momentum; gaussian in lie alg
-    SU<Nc>::GaussianFundamentalLieAlgebraMatrix(RNG4, mommu);
-    if(0){
-      if(mu==nu){
-	mommu=where(coor==Lnu-1,mommu,zz);
-      } else {
-	mommu=Zero();
-      }
-    }
+    SU<Nc>::GaussianFundamentalLieAlgebraMatrix(RNG4, mommu); // Traceless antihermitian momentum; gaussian in lie alg
 
     PokeIndex<LorentzIndex>(mom,mommu,mu);
 
@@ -139,12 +127,6 @@ int main (int argc, char ** argv)
 
   ComplexD Sprime    = innerProduct(MphiPrime   ,MphiPrime);
 
-
-  LatticeComplex lip(FGrid); lip=localInnerProduct(Mphi,Mphi);
-  LatticeComplex lipp(FGrid); lipp=localInnerProduct(MphiPrime,MphiPrime);
-  LatticeComplex dip(FGrid); dip = lipp - lip;
-  std::cout << " dip "<<dip<<std::endl;
-  
   //////////////////////////////////////////////
   // Use derivative to estimate dS
   //////////////////////////////////////////////

tests/forces/Test_gpwilson_force.cc

@@ -91,28 +91,17 @@ int main (int argc, char ** argv)
   RealD dt = 0.01;
 
   LatticeColourMatrix mommu(UGrid); 
-  LatticeColourMatrix zz(UGrid);
   LatticeColourMatrix forcemu(UGrid); 
   LatticeGaugeField mom(UGrid); 
   LatticeGaugeField Uprime(UGrid); 
 
-  
-  Lattice<iScalar<vInteger> > coor(UGrid);
-  LatticeCoordinate(coor,nu);
-  zz=Zero();
   for(int mu=0;mu<Nd;mu++){
 
     // Traceless antihermitian momentum; gaussian in lie alg
-    SU<Nc>::GaussianFundamentalLieAlgebraMatrix(RNG4, mommu);
-    if(0){
-      if(mu==nu){
-	mommu=where(coor==Lnu-1,mommu,zz);
-      } else {
-	mommu=Zero();
-      }
-    }
+    SU<Nc>::GaussianFundamentalLieAlgebraMatrix(RNG4, mommu); 
+
     PokeIndex<LorentzIndex>(mom,mommu,mu);
-    
+
     // fourth order exponential approx
     autoView( mom_v, mom, CpuRead);
     autoView( U_v , U, CpuRead);
@@ -145,10 +134,6 @@ int main (int argc, char ** argv)
     mommu=Ta(mommu)*2.0;
     PokeIndex<LorentzIndex>(UdSdU,mommu,mu);
   }
-  LatticeComplex lip(UGrid); lip=localInnerProduct(Mphi,Mphi);
-  LatticeComplex lipp(UGrid); lipp=localInnerProduct(MphiPrime,MphiPrime);
-  LatticeComplex dip(UGrid); dip = lipp - lip;
-  std::cout << " dip "<<dip<<std::endl;
 
   LatticeComplex dS(UGrid); dS = Zero();
   for(int mu=0;mu<Nd;mu++){
@@ -158,14 +143,12 @@ int main (int argc, char ** argv)
     // Update PF action density
     dS = dS+trace(mommu*forcemu)*dt;
   }
-  std::cout << "mommu"<<mommu<<std::endl;
-  std::cout << "dS" << dS<<std::endl;
-  
+
   ComplexD dSpred    = sum(dS);
 
   std::cout << GridLogMessage << " S      "<<S<<std::endl;
   std::cout << GridLogMessage << " Sprime "<<Sprime<<std::endl;
-  std::cout << GridLogMessage << "Delta S "<<Sprime-S<<std::endl;
+  std::cout << GridLogMessage << "dS      "<<Sprime-S<<std::endl;
   std::cout << GridLogMessage << "predict dS    "<< dSpred <<std::endl;
 
   assert( fabs(real(Sprime-S-dSpred)) < 2.0 ) ;

tests/forces/Test_mobius_gparity_eofa_mixed.cc

@@ -99,33 +99,6 @@ NAMESPACE_BEGIN(Grid);
       SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
       assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
 
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Must snarf a single precision copy of the gauge field in Linop_d argument
-      ////////////////////////////////////////////////////////////////////////////////////
-      //typedef typename FermionOperatorF::GaugeField GaugeFieldF;
-      //typedef typename FermionOperatorF::GaugeLinkField GaugeLinkFieldF;
-      //typedef typename FermionOperatorD::GaugeField GaugeFieldD;
-      //typedef typename FermionOperatorD::GaugeLinkField GaugeLinkFieldD;
-
-      //GridBase * GridPtrF = SinglePrecGrid4;
-      //GridBase * GridPtrD = FermOpD.Umu.Grid();
-      //GaugeFieldF     U_f  (GridPtrF);
-      //GaugeLinkFieldF Umu_f(GridPtrF);
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Moving this to a Clone method of fermion operator would allow to duplicate the 
-      // physics parameters and decrease gauge field copies
-      ////////////////////////////////////////////////////////////////////////////////////
-
-      //typedef typename std::decay<decltype(PeekIndex<LorentzIndex>(FermOpD.Umu, 0))>::type DoubleS
-
-      //GaugeLinkFieldD Umu_d(GridPtrD);
-      //for(int mu=0;mu<Nd*2;mu++){ 
-      //Umu_d = PeekIndex<LorentzIndex>(FermOpD.Umu, mu);
-      //precisionChange(Umu_f,Umu_d);
-      //PokeIndex<LorentzIndex>(FermOpF.Umu, Umu_f, mu);
-      //}
-
       precisionChange(FermOpF.Umu, FermOpD.Umu);
 
       pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);

tests/hmc/Test_rhmc_EOWilsonRatioPowQuarter.cc

@@ -1,139 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./tests/Test_rhmc_EOWilsonRatio.cc
-
-    Copyright (C) 2015
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END LEGAL */
-#include <Grid/Grid.h>
-
-//This test is for the Wilson action with the determinant det( M^dag M)^1/4
-//testing the generic RHMC 
-
-int main(int argc, char **argv) {
-  using namespace Grid;
-   ;
-
-  Grid_init(&argc, &argv);
-  int threads = GridThread::GetThreads();
-  // here make a routine to print all the relevant information on the run
-  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
-
-   // Typedefs to simplify notation
-  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;  // Uses the default minimum norm
-  typedef WilsonImplR FermionImplPolicy;
-  typedef WilsonFermionR FermionAction;
-  typedef typename FermionAction::FermionField FermionField;
-
-
-  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
-  HMCWrapper TheHMC;
-
-  // Grid from the command line
-  TheHMC.Resources.AddFourDimGrid("gauge");
-
-  // Checkpointer definition
-  CheckpointerParameters CPparams;  
-  CPparams.config_prefix = "ckpoint_lat";
-  CPparams.rng_prefix = "ckpoint_rng";
-  CPparams.saveInterval = 5;
-  CPparams.format = "IEEE64BIG";
-  
-  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
-
-  RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = "1 2 3 4 5";
-  RNGpar.parallel_seeds = "6 7 8 9 10";
-  TheHMC.Resources.SetRNGSeeds(RNGpar);
-
-  // Construct observables
-  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
-  TheHMC.Resources.AddObservable<PlaqObs>();
-  //////////////////////////////////////////////
-
-  /////////////////////////////////////////////////////////////
-  // Collect actions, here use more encapsulation
-  // need wrappers of the fermionic classes 
-  // that have a complex construction
-  // standard
-  RealD beta = 5.6 ;
-  WilsonGaugeActionR Waction(beta);
-    
-  auto GridPtr = TheHMC.Resources.GetCartesian();
-  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
-
-  // temporarily need a gauge field
-  LatticeGaugeField U(GridPtr);
-
-  Real mass = -0.77;
-  Real pv   = 0.0;
-
-  // Can we define an overloaded operator that does not need U and initialises
-  // it with zeroes?
-  FermionAction DenOp(U, *GridPtr, *GridRBPtr, mass);
-  FermionAction NumOp(U, *GridPtr, *GridRBPtr, pv);
-
-
-  // 1/2+1/2 flavour
-  // RationalActionParams(int _inv_pow = 2,
-  // 		       RealD _lo      = 0.0, 
-  // 		       RealD _hi      = 1.0, 
-  // 		       int _maxit     = 1000,
-  // 		       RealD tol      = 1.0e-8, 
-  // 		       int _degree    = 10,
-  // 		       int _precision = 64,
-  // 		       int _BoundsCheckFreq=20)
-
-
-  int inv_pow = 4;
-  RationalActionParams Params(inv_pow,1.0e-2,64.0,1000,1.0e-6,14,64,1);
-
-  GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> RHMC(NumOp,DenOp,Params);
-
-    // Collect actions
-  ActionLevel<HMCWrapper::Field> Level1(1);
-  Level1.push_back(&RHMC);
-
-  ActionLevel<HMCWrapper::Field> Level2(4);
-  Level2.push_back(&Waction);
-
-  TheHMC.TheAction.push_back(Level1);
-  TheHMC.TheAction.push_back(Level2);
-  /////////////////////////////////////////////////////////////
-
-  // HMC parameters are serialisable 
-  TheHMC.Parameters.MD.MDsteps = 20;
-  TheHMC.Parameters.MD.trajL   = 1.0;
-
-  TheHMC.ReadCommandLine(argc, argv); // these can be parameters from file
-  TheHMC.Run();
-
-  Grid_finalize();
-
-} // main
-
-
-
-
-

tests/hmc/Test_rhmc_EOWilsonRatio_doubleVsMixedPrec.cc

@@ -1,119 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./tests/Test_rhmc_EOWilsonRatio_doubleVsMixedPrec.cc
-
-    Copyright (C) 2015
-
-Author: Christopher Kelly <ckelly@bnl.gov>
-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 */
-#include <Grid/Grid.h>
-
-//This test ensures the mixed precision RHMC gives the same result as the regular double precision
-int main(int argc, char **argv) {
-  using namespace Grid;
-
-  Grid_init(&argc, &argv);
-  int threads = GridThread::GetThreads();
-  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
-
-  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;  // Uses the default minimum norm
-
-  typedef WilsonImplD FermionImplPolicyD;
-  typedef WilsonFermionD FermionActionD;
-  typedef typename FermionActionD::FermionField FermionFieldD;
-
-  typedef WilsonImplF FermionImplPolicyF;
-  typedef WilsonFermionF FermionActionF;
-  typedef typename FermionActionF::FermionField FermionFieldF;
-
-  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
-  HMCWrapper TheHMC;
-  TheHMC.Resources.AddFourDimGrid("gauge");
-
-  RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = "1 2 3 4 5";
-  RNGpar.parallel_seeds = "6 7 8 9 10";
-  TheHMC.Resources.SetRNGSeeds(RNGpar);
-
-  auto GridPtrD = TheHMC.Resources.GetCartesian();
-  auto GridRBPtrD = TheHMC.Resources.GetRBCartesian();
-
-  GridCartesian* GridPtrF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
-  GridRedBlackCartesian* GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
-
-  // temporarily need a gauge field
-  LatticeGaugeFieldD Ud(GridPtrD);
-  LatticeGaugeFieldF Uf(GridPtrF);
-
-  Real mass = -0.77;
-  Real pv   = 0.0;
-
-  FermionActionD DenOpD(Ud, *GridPtrD, *GridRBPtrD, mass);
-  FermionActionD NumOpD(Ud, *GridPtrD, *GridRBPtrD, pv);
-
-  FermionActionF DenOpF(Uf, *GridPtrF, *GridRBPtrF, mass);
-  FermionActionF NumOpF(Uf, *GridPtrF, *GridRBPtrF, pv);
-
-  TheHMC.Resources.AddRNGs();
-  PeriodicGimplR::HotConfiguration(TheHMC.Resources.GetParallelRNG(), Ud);
-
-  std::string seed_string = "the_seed";
-
-  //Setup the pseudofermion actions
-  RationalActionParams GenParams;
-  GenParams.inv_pow = 2;
-  GenParams.lo = 1e-2;
-  GenParams.hi = 64.0;
-  GenParams.MaxIter = 1000;
-  GenParams.action_tolerance = GenParams.md_tolerance = 1e-6;
-  GenParams.action_degree = GenParams.md_degree = 6;
-  GenParams.precision = 64;
-  GenParams.BoundsCheckFreq = 20;
-
-  GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> GenD(NumOpD,DenOpD,GenParams);
-  GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD, FermionImplPolicyF> GenFD(NumOpD, DenOpD, 
-													NumOpF, DenOpF, 
-													GenParams, 50);
-  TheHMC.Resources.GetParallelRNG().SeedUniqueString(seed_string);
-  GenD.refresh(Ud, TheHMC.Resources.GetSerialRNG(), TheHMC.Resources.GetParallelRNG());    
-  RealD Sd = GenD.S(Ud);
-  LatticeGaugeField derivD(Ud);
-  GenD.deriv(Ud,derivD);   
-
-  TheHMC.Resources.GetParallelRNG().SeedUniqueString(seed_string);
-  GenFD.refresh(Ud, TheHMC.Resources.GetSerialRNG(), TheHMC.Resources.GetParallelRNG());    
-  RealD Sfd = GenFD.S(Ud);
-  LatticeGaugeField derivFD(Ud);
-  GenFD.deriv(Ud,derivFD);   
-
-  //Compare
-  std::cout << "Action : " << Sd << " " << Sfd << " reldiff " << (Sd - Sfd)/Sd << std::endl;
-  
-  LatticeGaugeField diff(Ud);
-  axpy(diff, -1.0, derivD, derivFD);
-  std::cout << "Norm of difference in deriv " << sqrt(norm2(diff)) << std::endl;
-
-  Grid_finalize();
-  return 0;
-}
-

tests/hmc/Test_rhmc_EOWilsonRatio_genericVsOneFlavor.cc

@@ -1,122 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./tests/Test_rhmc_EOWilsonRatio_genericVsOneFlavor.cc
-
-    Copyright (C) 2015
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Christopher Kelly <ckelly@bnl.gov>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END LEGAL */
-#include <Grid/Grid.h>
-
-//This test ensures that the OneFlavourEvenOddRatioRationalPseudoFermionAction and GeneralEvenOddRatioRationalPseudoFermionAction action (with parameters set appropriately0
-//give the same results
-
-int main(int argc, char **argv) {
-  using namespace Grid;
-
-  Grid_init(&argc, &argv);
-  int threads = GridThread::GetThreads();
-  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
-
-  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;  // Uses the default minimum norm
-  typedef WilsonImplR FermionImplPolicy;
-  typedef WilsonFermionR FermionAction;
-  typedef typename FermionAction::FermionField FermionField;
-
-  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
-  HMCWrapper TheHMC;
-  TheHMC.Resources.AddFourDimGrid("gauge");
-
-
-  // // Checkpointer definition
-  // CheckpointerParameters CPparams;  
-  // CPparams.config_prefix = "ckpoint_lat";
-  // CPparams.rng_prefix = "ckpoint_rng";
-  // CPparams.saveInterval = 5;
-  // CPparams.format = "IEEE64BIG";
-  
-  // TheHMC.Resources.LoadNerscCheckpointer(CPparams);
-
-  RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = "1 2 3 4 5";
-  RNGpar.parallel_seeds = "6 7 8 9 10";
-  TheHMC.Resources.SetRNGSeeds(RNGpar);
-
-  auto GridPtr = TheHMC.Resources.GetCartesian();
-  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
-
-  // temporarily need a gauge field
-  LatticeGaugeField U(GridPtr);
-
-  Real mass = -0.77;
-  Real pv   = 0.0;
-
-  FermionAction DenOp(U, *GridPtr, *GridRBPtr, mass);
-  FermionAction NumOp(U, *GridPtr, *GridRBPtr, pv);
-
-  TheHMC.Resources.AddRNGs();
-  PeriodicGimplR::HotConfiguration(TheHMC.Resources.GetParallelRNG(), U);
-
-  std::string seed_string = "the_seed";
-
-  //1f action
-  OneFlavourRationalParams OneFParams(1.0e-2,64.0,1000,1.0e-6,6); 
-
-  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> OneF(NumOp,DenOp,OneFParams);
-  TheHMC.Resources.GetParallelRNG().SeedUniqueString(seed_string);
-  OneF.refresh(U, TheHMC.Resources.GetParallelRNG());    
-  RealD OneFS = OneF.S(U);
-  LatticeGaugeField OneFderiv(U);
-  OneF.deriv(U,OneFderiv);    
-  
-  //general action
-  RationalActionParams GenParams;
-  GenParams.inv_pow = 2;
-  GenParams.lo = OneFParams.lo;
-  GenParams.hi = OneFParams.hi;
-  GenParams.MaxIter = OneFParams.MaxIter;
-  GenParams.action_tolerance = GenParams.md_tolerance = OneFParams.tolerance;
-  GenParams.action_degree = GenParams.md_degree = OneFParams.degree;
-  GenParams.precision = OneFParams.precision;
-  GenParams.BoundsCheckFreq = OneFParams.BoundsCheckFreq;
-
-  GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> Gen(NumOp,DenOp,GenParams);
-  TheHMC.Resources.GetParallelRNG().SeedUniqueString(seed_string);
-  Gen.refresh(U, TheHMC.Resources.GetParallelRNG());    
-  RealD GenS = Gen.S(U);
-  LatticeGaugeField Genderiv(U);
-  Gen.deriv(U,Genderiv);   
-
-
-  //Compare
-  std::cout << "Action : " << OneFS << " " << GenS << " reldiff " << (OneFS - GenS)/OneFS << std::endl;
-  
-  LatticeGaugeField diff(U);
-  axpy(diff, -1.0, Genderiv, OneFderiv);
-  std::cout << "Norm of difference in deriv " << sqrt(norm2(diff)) << std::endl;
-
-  Grid_finalize();
-  return 0;
-}
-

tests/lanczos/Test_compressed_lanczos_gparity.cc

@@ -1,425 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./tests/Test_compressed_lanczos_gparity.cc
-
-    Copyright (C) 2017
-
-Author: Christopher Kelly <ckelly@bnl.gov>
-Author: Leans heavily on Christoph Lehner's code
-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 */
-/*
- *  Reimplement the badly named "multigrid" lanczos as compressed Lanczos using the features 
- *  in Grid that were intended to be used to support blocked Aggregates, from
- */
-#include <Grid/Grid.h>
-#include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
-#include <Grid/algorithms/iterative/LocalCoherenceLanczos.h>
-
-using namespace std;
-using namespace Grid;
-
-// template<class VectorInt>
-// void GridCmdOptionIntVector(const std::string &str, VectorInt & vec)
-// {
-//   vec.resize(0);
-//   std::stringstream ss(str);
-//   int i;
-//   while (ss >> i){
-//     vec.push_back(i);
-//     if(std::ispunct(ss.peek()))
-//       ss.ignore();
-//   }
-//   return;
-// }
-
-
-//For the CPS configurations we have to manually seed the RNG and deal with an incorrect factor of 2 in the plaquette metadata
-void readConfiguration(LatticeGaugeFieldD &U,
-		       const std::string &config,
-		       bool is_cps_cfg = false){
-
-  if(is_cps_cfg) NerscIO::exitOnReadPlaquetteMismatch() = false;
-
-  typedef GaugeStatistics<ConjugateGimplD> GaugeStats;
-     
-  FieldMetaData header;
-  NerscIO::readConfiguration<GaugeStats>(U, header, config);
-
-  if(is_cps_cfg) NerscIO::exitOnReadPlaquetteMismatch() = true;
-}
-
-//Lanczos parameters in CPS conventions
-struct CPSLanczosParams : Serializable {
-public:
-  GRID_SERIALIZABLE_CLASS_MEMBERS(CPSLanczosParams,
-				  RealD, alpha,
-				  RealD, beta,
-				  int, ch_ord,
-				  int, N_use,
-				  int, N_get,
-				  int, N_true_get,
-				  RealD, stop_rsd,
-				  int, maxits);
-
-  //Translations
-  ChebyParams getChebyParams() const{
-    ChebyParams out;
-    out.alpha = beta*beta; //aka lo
-    out.beta = alpha*alpha; //aka hi
-    out.Npoly = ch_ord+1;
-    return out;
-  }
-  int Nstop() const{ return N_true_get; }
-  int Nm() const{ return N_use; }
-  int Nk() const{ return N_get; }
-};
-
-//Maybe this class should be in the main library?
-template<class Fobj,class CComplex,int nbasis>
-class LocalCoherenceLanczosScidac : public LocalCoherenceLanczos<Fobj,CComplex,nbasis>
-{ 
-public:
-  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
-  typedef Lattice<CoarseSiteVector>           CoarseField;
-  typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
-  typedef Lattice<Fobj>          FineField;
-
-  LocalCoherenceLanczosScidac(GridBase *FineGrid,GridBase *CoarseGrid,
-			      LinearOperatorBase<FineField> &FineOp,
-			      int checkerboard) 
-    // Base constructor
-    : LocalCoherenceLanczos<Fobj,CComplex,nbasis>(FineGrid,CoarseGrid,FineOp,checkerboard) 
-  {};
-
-  void checkpointFine(std::string evecs_file,std::string evals_file)
-  {
-    assert(this->subspace.size()==nbasis);
-    emptyUserRecord record;
-    Grid::ScidacWriter WR(this->_FineGrid->IsBoss());
-    WR.open(evecs_file);
-    for(int k=0;k<nbasis;k++) {
-      WR.writeScidacFieldRecord(this->subspace[k],record);
-    }
-    WR.close();
-    
-    XmlWriter WRx(evals_file);
-    write(WRx,"evals",this->evals_fine);
-  }
-
-  void checkpointFineRestore(std::string evecs_file,std::string evals_file)
-  {
-    this->evals_fine.resize(nbasis);
-    this->subspace.resize(nbasis,this->_FineGrid);
-    
-    std::cout << GridLogIRL<< "checkpointFineRestore:  Reading evals from "<<evals_file<<std::endl;
-    XmlReader RDx(evals_file);
-    read(RDx,"evals",this->evals_fine);
-    
-    assert(this->evals_fine.size()==nbasis);
-    
-    std::cout << GridLogIRL<< "checkpointFineRestore:  Reading evecs from "<<evecs_file<<std::endl;
-    emptyUserRecord record;
-    Grid::ScidacReader RD ;
-    RD.open(evecs_file);
-    for(int k=0;k<nbasis;k++) {
-      this->subspace[k].Checkerboard()=this->_checkerboard;
-      RD.readScidacFieldRecord(this->subspace[k],record);
-      
-    }
-    RD.close();
-  }
-
-  void checkpointCoarse(std::string evecs_file,std::string evals_file)
-  {
-    int n = this->evec_coarse.size();
-    emptyUserRecord record;
-    Grid::ScidacWriter WR(this->_CoarseGrid->IsBoss());
-    WR.open(evecs_file);
-    for(int k=0;k<n;k++) {
-      WR.writeScidacFieldRecord(this->evec_coarse[k],record);
-    }
-    WR.close();
-    
-    XmlWriter WRx(evals_file);
-    write(WRx,"evals",this->evals_coarse);
-  }
-
-  void checkpointCoarseRestore(std::string evecs_file,std::string evals_file,int nvec)
-  {
-    std::cout << "resizing coarse vecs to " << nvec<< std::endl;
-    this->evals_coarse.resize(nvec);
-    this->evec_coarse.resize(nvec,this->_CoarseGrid);
-    std::cout << GridLogIRL<< "checkpointCoarseRestore:  Reading evals from "<<evals_file<<std::endl;
-    XmlReader RDx(evals_file);
-    read(RDx,"evals",this->evals_coarse);
-
-    assert(this->evals_coarse.size()==nvec);
-    emptyUserRecord record;
-    std::cout << GridLogIRL<< "checkpointCoarseRestore:  Reading evecs from "<<evecs_file<<std::endl;
-    Grid::ScidacReader RD ;
-    RD.open(evecs_file);
-    for(int k=0;k<nvec;k++) {
-      RD.readScidacFieldRecord(this->evec_coarse[k],record);
-    }
-    RD.close();
-  }
-};
-
-
-//Note:  because we rely upon physical properties we must use a "real" gauge configuration
-int main (int argc, char ** argv) {
-  Grid_init(&argc,&argv);
-  GridLogIRL.TimingMode(1);
-
-  std::vector<int> blockSize = {2,2,2,2,2};
-  std::vector<int> GparityDirs = {1,1,1}; //1 for each GP direction
-
-  int Ls = 12;
-  RealD mass = 0.01;
-  RealD M5 = 1.8;
-  bool is_cps_cfg = false;
-
-  CPSLanczosParams fine, coarse;
-
-  fine.alpha = 2;
-  fine.beta = 0.1;
-  fine.ch_ord = 100;
-  fine.N_use = 70;
-  fine.N_get = 60;
-  fine.N_true_get = 60;
-  fine.stop_rsd = 1e-8;
-  fine.maxits = 10000;
-
-  coarse.alpha = 2;
-  coarse.beta = 0.1;
-  coarse.ch_ord = 100;
-  coarse.N_use = 200;
-  coarse.N_get = 190;
-  coarse.N_true_get = 190;
-  coarse.stop_rsd = 1e-8;
-  coarse.maxits = 10000;
-
-  double coarse_relax_tol = 1e5;
-  int smoother_ord = 20;
-  
-  if(argc < 3){
-    std::cout << GridLogMessage << "Usage: <exe> <config> <gparity dirs> <options>" << std::endl;
-    std::cout << GridLogMessage << "<gparity dirs> should have the format a.b.c where a,b,c are 0,1 depending on whether there are G-parity BCs in that direction" << std::endl;
-    std::cout << GridLogMessage << "Options:" << std::endl;
-    std::cout << GridLogMessage << "--Ls <value> : Set Ls (default 12)" << std::endl;
-    std::cout << GridLogMessage << "--mass <value> : Set the mass (default 0.01)" << std::endl;
-    std::cout << GridLogMessage << "--block <value> : Set the block size. Format should be a.b.c.d.e where a-e are the block extents  (default 2.2.2.2.2)" << std::endl;
-    std::cout << GridLogMessage << "--is_cps_cfg : Indicate that the configuration was generated with CPS where until recently the stored plaquette was wrong by a factor of 2" << std::endl;
-    std::cout << GridLogMessage << "--write_irl_templ: Write a template for the parameters file of the Lanczos to \"irl_templ.xml\"" << std::endl;
-    std::cout << GridLogMessage << "--read_irl_fine <filename>: Real the parameters file for the fine Lanczos" << std::endl;
-    std::cout << GridLogMessage << "--read_irl_coarse <filename>: Real the parameters file for the coarse Lanczos" << std::endl;
-    std::cout << GridLogMessage << "--write_fine <filename stub>: Write fine evecs/evals to filename starting with the stub" << std::endl;
-    std::cout << GridLogMessage << "--read_fine <filename stub>: Read fine evecs/evals from filename starting with the stub" << std::endl;
-    std::cout << GridLogMessage << "--write_coarse <filename stub>: Write coarse evecs/evals to filename starting with the stub" << std::endl;
-    std::cout << GridLogMessage << "--read_coarse <filename stub>: Read coarse evecs/evals from filename starting with the stub" << std::endl;
-    std::cout << GridLogMessage << "--smoother_ord :  Set the Chebyshev order of the smoother (default 20)" << std::endl;
-    std::cout << GridLogMessage << "--coarse_relax_tol : Set the relaxation parameter for evaluating the residual of the reconstructed eigenvectors outside of the basis (default 1e5)" << std::endl;
-    Grid_finalize();
-    return 1;
-  }
-  std::string config = argv[1];
-  GridCmdOptionIntVector(argv[2], GparityDirs);
-  assert(GparityDirs.size() == 3);
-
-  bool write_fine = false;
-  std::string write_fine_file;
-
-  bool read_fine = false;
-  std::string read_fine_file;
-
-  bool write_coarse = false;
-  std::string write_coarse_file;
-
-  bool read_coarse = false;
-  std::string read_coarse_file;
- 
-  for(int i=3;i<argc;i++){
-    std::string sarg = argv[i];
-    if(sarg == "--Ls"){
-      Ls = std::stoi(argv[i+1]);
-      std::cout << GridLogMessage << "Set Ls to " << Ls << std::endl;
-    }else if(sarg == "--mass"){
-      std::istringstream ss(argv[i+1]); ss >> mass;
-      std::cout << GridLogMessage << "Set quark mass to " << mass << std::endl;
-    }else if(sarg == "--block"){
-      GridCmdOptionIntVector(argv[i+1], blockSize);
-      assert(blockSize.size() == 5);
-      std::cout << GridLogMessage << "Set block size to ";
-      for(int q=0;q<5;q++) std::cout << blockSize[q] << " ";
-      std::cout << std::endl;      
-    }else if(sarg == "--is_cps_cfg"){
-      is_cps_cfg = true;
-    }else if(sarg == "--write_irl_templ"){
-      XmlWriter writer("irl_templ.xml");
-      write(writer,"Params",fine);
-      Grid_finalize();
-      return 0;
-    }else if(sarg == "--read_irl_fine"){
-      std::cout << GridLogMessage << "Reading fine IRL params from " << argv[i+1] << std::endl;
-      XmlReader reader(argv[i+1]);
-      read(reader, "Params", fine);
-    }else if(sarg == "--read_irl_coarse"){
-      std::cout << GridLogMessage << "Reading coarse IRL params from " << argv[i+1] << std::endl;
-      XmlReader reader(argv[i+1]);
-      read(reader, "Params", coarse);
-    }else if(sarg == "--write_fine"){
-      write_fine = true;
-      write_fine_file = argv[i+1];
-    }else if(sarg == "--read_fine"){
-      read_fine = true;
-      read_fine_file = argv[i+1];
-    }else if(sarg == "--write_coarse"){
-      write_coarse = true;
-      write_coarse_file = argv[i+1];
-    }else if(sarg == "--read_coarse"){
-      read_coarse = true;
-      read_coarse_file = argv[i+1];
-    }else if(sarg == "--smoother_ord"){
-      std::istringstream ss(argv[i+1]); ss >> smoother_ord;
-      std::cout << GridLogMessage << "Set smoother order to " << smoother_ord << std::endl;
-    }else if(sarg == "--coarse_relax_tol"){
-      std::istringstream ss(argv[i+1]); ss >> coarse_relax_tol;
-      std::cout << GridLogMessage << "Set coarse IRL relaxation parameter to " << coarse_relax_tol << std::endl;
-    }      
-  }
-  
-  //Fine grids
-  GridCartesian         * UGrid     = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(),  GridDefaultSimd(Nd,vComplex::Nsimd()),   GridDefaultMpi());
-  GridRedBlackCartesian * UrbGrid   = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
-  GridCartesian         * FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
-  GridRedBlackCartesian * FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
-
-  //Setup G-parity BCs
-  assert(Nd == 4);
-  std::vector<int> dirs4(4);
-  for(int i=0;i<3;i++) dirs4[i] = GparityDirs[i];
-  dirs4[3] = 0; //periodic gauge BC in time
-  
-  std::cout << GridLogMessage << "Gauge BCs: " << dirs4 << std::endl;
-  ConjugateGimplD::setDirections(dirs4); //gauge BC
-
-  GparityWilsonImplD::ImplParams Params;
-  for(int i=0;i<Nd-1;i++) Params.twists[i] = GparityDirs[i]; //G-parity directions
-  Params.twists[Nd-1] = 1; //APBC in time direction
-  std::cout << GridLogMessage << "Fermion BCs: " << Params.twists << std::endl;
-  
-  //Read the gauge field
-  LatticeGaugeField Umu(UGrid);  
-  readConfiguration(Umu, config, is_cps_cfg);
-
-  //Setup the coarse grids  
-  auto fineLatt     = GridDefaultLatt();
-  Coordinate coarseLatt(4);
-  for (int d=0;d<4;d++){
-    coarseLatt[d] = fineLatt[d]/blockSize[d];    assert(coarseLatt[d]*blockSize[d]==fineLatt[d]);
-  }
-
-  std::cout << GridLogMessage<< " 5d coarse lattice is ";
-  for (int i=0;i<4;i++){
-    std::cout << coarseLatt[i]<<"x";
-  } 
-  int cLs = Ls/blockSize[4]; assert(cLs*blockSize[4]==Ls);
-  std::cout << cLs<<std::endl;
-  
-  GridCartesian         * CoarseGrid4    = SpaceTimeGrid::makeFourDimGrid(coarseLatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
-  GridRedBlackCartesian * CoarseGrid4rb  = SpaceTimeGrid::makeFourDimRedBlackGrid(CoarseGrid4);
-  GridCartesian         * CoarseGrid5    = SpaceTimeGrid::makeFiveDimGrid(cLs,CoarseGrid4);
-
-  //Dirac operator
-  GparityDomainWallFermionD action(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mass, M5, Params);
-  typedef GparityDomainWallFermionD::FermionField FermionField;
-  
-  SchurDiagTwoOperator<GparityDomainWallFermionD,FermionField> SchurOp(action);
-
-  typedef GparityWilsonImplD::SiteSpinor SiteSpinor;
-
-  std::cout << GridLogMessage << "Keep " << fine.N_true_get   << " fine   vectors" << std::endl;
-  std::cout << GridLogMessage << "Keep " << coarse.N_true_get << " coarse vectors" << std::endl;
-  assert(coarse.N_true_get >= fine.N_true_get);
-
-  const int nbasis= 60;
-  assert(nbasis<=fine.N_true_get);
-  LocalCoherenceLanczosScidac<SiteSpinor,vTComplex,nbasis> _LocalCoherenceLanczos(FrbGrid,CoarseGrid5,SchurOp,Odd);
-  std::cout << GridLogMessage << "Constructed LocalCoherenceLanczos" << std::endl;
-
-  //Compute and/or read fine evecs
-  if(read_fine){
-    _LocalCoherenceLanczos.checkpointFineRestore(read_fine_file + "_evecs.scidac", read_fine_file + "_evals.xml");
-  }else{
-    std::cout << GridLogMessage << "Performing fine grid IRL" << std::endl;
-    std::cout << GridLogMessage << "Using Chebyshev alpha=" << fine.alpha << " beta=" << fine.beta << " ord=" << fine.ch_ord << std::endl;
-    _LocalCoherenceLanczos.calcFine(fine.getChebyParams(),
-				    fine.Nstop(),fine.Nk(),fine.Nm(),
-				    fine.stop_rsd,fine.maxits,0,0);
-    if(write_fine){
-      std::cout << GridLogIRL<<"Checkpointing Fine evecs"<<std::endl;
-      _LocalCoherenceLanczos.checkpointFine(write_fine_file + "_evecs.scidac", write_fine_file + "_evals.xml");
-    }
-  }
-  
-  //Block orthonormalise (this should be part of calcFine?)
-  std::cout << GridLogIRL<<"Orthogonalising"<<std::endl;
-  _LocalCoherenceLanczos.Orthogonalise();
-  std::cout << GridLogIRL<<"Orthogonaled"<<std::endl;
-
-  ChebyParams smoother = fine.getChebyParams();
-  smoother.Npoly = smoother_ord+1;
-
-  if(read_coarse){
-    _LocalCoherenceLanczos.checkpointCoarseRestore(read_coarse_file + "_evecs.scidac", read_coarse_file + "_evals.xml",coarse.Nstop());
-
-  }else{
-    std::cout << GridLogMessage << "Performing coarse grid IRL" << std::endl;
-    std::cout << GridLogMessage << "Using Chebyshev alpha=" << coarse.alpha << " beta=" << coarse.beta << " ord=" << coarse.ch_ord << std::endl;	
-    _LocalCoherenceLanczos.calcCoarse(coarse.getChebyParams(), smoother, coarse_relax_tol,
-				      coarse.Nstop(), coarse.Nk() ,coarse.Nm(),
-				      coarse.stop_rsd, coarse.maxits, 
-				      0,0);
-
-    if(write_coarse){
-      std::cout << GridLogIRL<<"Checkpointing Coarse evecs"<<std::endl;
-      _LocalCoherenceLanczos.checkpointCoarse(write_coarse_file + "_evecs.scidac", write_coarse_file + "_evals.xml");
-    }
-
-  }
-
-  //Test the eigenvectors
-  FermionField evec(FrbGrid);
-  FermionField tmp(FrbGrid);
-  RealD eval;
-  
-  for(int i=0;i<coarse.N_true_get;i++){    
-    _LocalCoherenceLanczos.getFineEvecEval(evec, eval, i);
-    SchurOp.HermOp(evec, tmp);
-    tmp = tmp - eval*evec;
-    std::cout << GridLogMessage << "Eval " << eval << " resid " << sqrt(norm2(tmp)) << std::endl;
-  }
-
-  Grid_finalize();
-}
-

tests/lanczos/Test_evec_compression.cc

@@ -1,576 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./tests/Test_evec_compression.cc
-
-    Copyright (C) 2017
-
-Author: Christopher Kelly <ckelly@bnl.gov>
-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 */
-/*
- *
- * This test generates eigenvectors using the Lanczos algorithm then attempts to use local coherence compression
- * to express those vectors in terms of a basis formed from a subset. This test is useful for finding the optimal
- * blocking and basis size for performing a Local Coherence Lanczos
- */
-#include <Grid/Grid.h>
-#include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
-#include <Grid/algorithms/iterative/LocalCoherenceLanczos.h>
-
-using namespace std;
-using namespace Grid;
-
-//For the CPS configurations we have to manually seed the RNG and deal with an incorrect factor of 2 in the plaquette metadata
-template<typename Gimpl>
-void readConfiguration(LatticeGaugeFieldD &U,
-		       const std::string &config,
-		       bool is_cps_cfg = false){
-
-  if(is_cps_cfg) NerscIO::exitOnReadPlaquetteMismatch() = false;
-
-  typedef GaugeStatistics<Gimpl> GaugeStats;
-     
-  FieldMetaData header;
-  NerscIO::readConfiguration<GaugeStats>(U, header, config);
-
-  if(is_cps_cfg) NerscIO::exitOnReadPlaquetteMismatch() = true;
-}
-
-//Lanczos parameters in CPS conventions
-struct CPSLanczosParams : Serializable {
-public:
-  GRID_SERIALIZABLE_CLASS_MEMBERS(CPSLanczosParams,
-				  RealD, alpha,
-				  RealD, beta,
-				  int, ch_ord,
-				  int, N_use,
-				  int, N_get,
-				  int, N_true_get,
-				  RealD, stop_rsd,
-				  int, maxits);
-
-  //Translations
-  ChebyParams getChebyParams() const{
-    ChebyParams out;
-    out.alpha = beta*beta; //aka lo
-    out.beta = alpha*alpha; //aka hi
-    out.Npoly = ch_ord+1;
-    return out;
-  }
-  int Nstop() const{ return N_true_get; }
-  int Nm() const{ return N_use; }
-  int Nk() const{ return N_get; }
-};
-
-
-template<class Fobj,class CComplex,int nbasis>
-class LocalCoherenceCompressor{
-public:
-  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
-  typedef Lattice<CComplex>                   CoarseScalar; // used for inner products on fine field
-  typedef Lattice<CoarseSiteVector>           CoarseField;
-  typedef Lattice<Fobj>                       FineField;
-  
-  void compress(std::vector<FineField> &basis,
-		std::vector<CoarseField> &compressed_evecs,
-		const std::vector<FineField> &evecs_in,
-		GridBase *FineGrid,
-		GridBase *CoarseGrid){
-    int nevecs = evecs_in.size();
-    assert(nevecs > nbasis);
-    
-    //Construct the basis
-    basis.resize(nbasis, FineGrid);
-    for(int b=0;b<nbasis;b++) basis[b] = evecs_in[b];
-
-    //Block othornormalize basis
-    CoarseScalar InnerProd(CoarseGrid);
-    std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
-    blockOrthogonalise(InnerProd,basis);
-    std::cout << GridLogMessage <<" Gramm-Schmidt pass 2"<<std::endl;
-    blockOrthogonalise(InnerProd,basis);
-
-    //The coarse grid representation is the field of vectors of block inner products
-    std::cout << GridLogMessage << "Compressing eigevectors" << std::endl;
-    compressed_evecs.resize(nevecs, CoarseGrid);
-    for(int i=0;i<nevecs;i++) blockProject(compressed_evecs[i], evecs_in[i], basis);
-    std::cout << GridLogMessage << "Compression complete" << std::endl;
-  }
-
-  void uncompress(FineField &evec, const int i, const std::vector<FineField> &basis, const std::vector<CoarseField> &compressed_evecs) const{
-    blockPromote(compressed_evecs[i],evec,basis);  
-  }
-
-  //Test uncompressed eigenvectors of Linop.HermOp to precision 'base_tolerance' for i<nbasis and 'base_tolerance*relax' for i>=nbasis
-  //Because the uncompressed evec has a lot of high mode noise (unimportant for deflation) we apply a smoother before testing.
-  //The Chebyshev used by the Lanczos should be sufficient as a smoother
-  bool testCompression(LinearOperatorBase<FineField> &Linop, OperatorFunction<FineField>   &smoother,
-		       const std::vector<FineField> &basis, const std::vector<CoarseField> &compressed_evecs, const std::vector<RealD> &evals,
-		       const RealD base_tolerance, const RealD relax){
-    std::cout << GridLogMessage << "Testing quality of uncompressed evecs (after smoothing)" << std::endl;
-   
-    GridBase* FineGrid = basis[0].Grid();
-    GridBase* CoarseGrid = compressed_evecs[0].Grid();
-
-    bool fail = false;
-    FineField evec(FineGrid), Mevec(FineGrid), evec_sm(FineGrid);
-    for(int i=0;i<compressed_evecs.size();i++){
-      std::cout << GridLogMessage << "Uncompressing evec " << i << std::endl;
-      uncompress(evec, i, basis, compressed_evecs);
-
-      std::cout << GridLogMessage << "Smoothing evec " << i << std::endl;
-      smoother(Linop, evec, evec_sm);
-      
-      std::cout << GridLogMessage << "Computing residual for evec " << i << std::endl;
-      std::cout << GridLogMessage << "Linop" << std::endl;
-      Linop.HermOp(evec_sm, Mevec);
-      std::cout << GridLogMessage << "Linalg" << std::endl;
-      Mevec = Mevec - evals[i]*evec_sm;
-
-      std::cout << GridLogMessage << "Resid" << std::endl;
-      RealD tol = base_tolerance * (i<nbasis ? 1. : relax);
-      RealD res = sqrt(norm2(Mevec));
-      std::cout << GridLogMessage << "Evec idx " << i << " res " << res << " tol " << tol << std::endl;
-      if(res > tol) fail = true;
-    }
-    return fail;
-  }
-
-  //Compare uncompressed evecs to original evecs
-  void compareEvecs(const std::vector<FineField> &basis, const std::vector<CoarseField> &compressed_evecs, const std::vector<FineField> &orig_evecs){
-    std::cout << GridLogMessage << "Comparing uncompressed evecs to original evecs" << std::endl;
-    
-    GridBase* FineGrid = basis[0].Grid();
-    GridBase* CoarseGrid = compressed_evecs[0].Grid();
-
-    FineField evec(FineGrid), diff(FineGrid);
-    for(int i=0;i<compressed_evecs.size();i++){
-      std::cout << GridLogMessage << "Uncompressing evec " << i << std::endl;
-      uncompress(evec, i, basis, compressed_evecs);
-      diff = orig_evecs[i] - evec;
-      RealD res = sqrt(norm2(diff));
-      std::cout << GridLogMessage << "Evec idx " << i << " res " << res << std::endl;
-    }
-  }
-  
-};
-
-template<class Fobj,class CComplex,int nbasis>
-void compareBlockPromoteTimings(const std::vector<Lattice<Fobj> > &basis, const std::vector<Lattice<iVector<CComplex,nbasis > > > &compressed_evecs){
-  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
-  typedef Lattice<CComplex>                   CoarseScalar; 
-  typedef Lattice<CoarseSiteVector>           CoarseField;
-  typedef Lattice<Fobj>                       FineField;
-
-  GridStopWatch timer;
-  
-  GridBase* FineGrid = basis[0].Grid();
-  GridBase* CoarseGrid = compressed_evecs[0].Grid();
-
-  FineField v1(FineGrid), v2(FineGrid);
-
-  //Start with a cold start
-  for(int i=0;i<basis.size();i++){
-    autoView( b_ , basis[i], CpuWrite);
-  }
-  for(int i=0;i<compressed_evecs.size();i++){
-    autoView( b_ , compressed_evecs[i], CpuWrite);
-  }
-  {
-    autoView( b_, v1, CpuWrite );
-  }
-
-  timer.Start();
-  blockPromote(compressed_evecs[0],v1,basis);  
-  timer.Stop();
-  std::cout << GridLogMessage << "Time for cold blockPromote v1 " << timer.Elapsed() << std::endl;
-
-  //Test to ensure it is actually doing a cold start by repeating
-  for(int i=0;i<basis.size();i++){
-    autoView( b_ , basis[i], CpuWrite);
-  }
-  for(int i=0;i<compressed_evecs.size();i++){
-    autoView( b_ , compressed_evecs[i], CpuWrite);
-  }
-  {
-    autoView( b_, v1, CpuWrite );
-  }
-
-  timer.Reset();
-  timer.Start();
-  blockPromote(compressed_evecs[0],v1,basis);  
-  timer.Stop();
-  std::cout << GridLogMessage << "Time for cold blockPromote v1 repeat (should be the same as above) " << timer.Elapsed() << std::endl;
-}
-
-struct Args{
-  int Ls;
-  RealD mass;
-  RealD M5;
-  bool is_cps_cfg;
-  RealD mobius_scale; //b+c
-  
-  CPSLanczosParams fine;
-  double coarse_relax_tol;
-
-  std::vector<int> blockSize;
-  std::vector<int> GparityDirs;
-
-  bool write_fine;
-  std::string write_fine_file;
-  bool read_fine;
-  std::string read_fine_file;
-
-  int basis_size;
-  
-  Args(){
-    blockSize = {2,2,2,2,2};
-    GparityDirs = {1,1,1}; //1 for each GP direction
-    
-    Ls = 12;
-    mass = 0.01;
-    M5 = 1.8;
-    is_cps_cfg = false;
-    mobius_scale = 2;
-    
-    fine.alpha = 2;
-    fine.beta = 0.1;
-    fine.ch_ord = 100;
-    fine.N_use = 70;
-    fine.N_get = 60;
-    fine.N_true_get = 60;
-    fine.stop_rsd = 1e-8;
-    fine.maxits = 10000;
-
-    coarse_relax_tol = 1e5;
-
-    write_fine = false;
-    read_fine = false;
-
-    basis_size = 100;
-  }
-};
-    
-
-GparityWilsonImplD::ImplParams setupGparityParams(const std::vector<int> &GparityDirs){
-  //Setup G-parity BCs
-  assert(Nd == 4);
-  std::vector<int> dirs4(4);
-  for(int i=0;i<3;i++) dirs4[i] = GparityDirs[i];
-  dirs4[3] = 0; //periodic gauge BC in time
-  
-  std::cout << GridLogMessage << "Gauge BCs: " << dirs4 << std::endl;
-  ConjugateGimplD::setDirections(dirs4); //gauge BC
-
-  GparityWilsonImplD::ImplParams Params;
-  for(int i=0;i<Nd-1;i++) Params.twists[i] = GparityDirs[i]; //G-parity directions
-  Params.twists[Nd-1] = 1; //APBC in time direction
-  std::cout << GridLogMessage << "Fermion BCs: " << Params.twists << std::endl;
-  return Params;
-}
-
-WilsonImplD::ImplParams setupParams(){
-  WilsonImplD::ImplParams Params;
-  Complex one(1.0);
-  Complex mone(-1.0);
-  for(int i=0;i<Nd-1;i++) Params.boundary_phases[i] = one;
-  Params.boundary_phases[Nd-1] = mone;
-  return Params;
-}
-
-template<int nbasis, typename ActionType>
-void run_b(ActionType &action, const std::string &config, const Args &args){
-  //Fine grids
-  GridCartesian         * UGrid     = (GridCartesian*)action.GaugeGrid();
-  GridRedBlackCartesian * UrbGrid   = (GridRedBlackCartesian*)action.GaugeRedBlackGrid();
-  GridCartesian         * FGrid     = (GridCartesian*)action.FermionGrid();
-  GridRedBlackCartesian * FrbGrid   = (GridRedBlackCartesian*)action.FermionRedBlackGrid();
-
-  //Setup the coarse grids  
-  auto fineLatt     = GridDefaultLatt();
-  Coordinate coarseLatt(4);
-  for (int d=0;d<4;d++){
-    coarseLatt[d] = fineLatt[d]/args.blockSize[d];    assert(coarseLatt[d]*args.blockSize[d]==fineLatt[d]);
-  }
-
-  std::cout << GridLogMessage<< " 5d coarse lattice is ";
-  for (int i=0;i<4;i++){
-    std::cout << coarseLatt[i]<<"x";
-  } 
-  int cLs = args.Ls/args.blockSize[4]; assert(cLs*args.blockSize[4]==args.Ls);
-  std::cout << cLs<<std::endl;
-  
-  GridCartesian         * CoarseGrid4    = SpaceTimeGrid::makeFourDimGrid(coarseLatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
-  GridRedBlackCartesian * CoarseGrid4rb  = SpaceTimeGrid::makeFourDimRedBlackGrid(CoarseGrid4);
-  GridCartesian         * CoarseGrid5    = SpaceTimeGrid::makeFiveDimGrid(cLs,CoarseGrid4);
-  typedef vTComplex CComplex; 
-  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
-  typedef Lattice<CComplex>                   CoarseScalar;
-  typedef Lattice<CoarseSiteVector>           CoarseField;
-
-  typedef typename ActionType::FermionField FermionField; 
-  
-  SchurDiagTwoOperator<ActionType,FermionField> SchurOp(action);
-
-  typedef typename ActionType::SiteSpinor SiteSpinor;
-
-  const CPSLanczosParams &fine = args.fine;
-  
-  //Do the fine Lanczos
-  std::vector<RealD> evals;
-  std::vector<FermionField> evecs;
-
-  if(args.read_fine){
-    evals.resize(fine.N_true_get);
-    evecs.resize(fine.N_true_get, FrbGrid);
-
-    std::string evals_file = args.read_fine_file + "_evals.xml";
-    std::string evecs_file = args.read_fine_file + "_evecs.scidac";
-    
-    std::cout << GridLogIRL<< "Reading evals from "<<evals_file<<std::endl;
-    XmlReader RDx(evals_file);
-    read(RDx,"evals",evals);
-    
-    assert(evals.size()==fine.N_true_get);
-    
-    std::cout << GridLogIRL<< "Reading evecs from "<<evecs_file<<std::endl;
-    emptyUserRecord record;
-    Grid::ScidacReader RD ;
-    RD.open(evecs_file);
-    for(int k=0;k<fine.N_true_get;k++) {
-      evecs[k].Checkerboard()=Odd;
-      RD.readScidacFieldRecord(evecs[k],record);
-      
-    }
-    RD.close();
-  }else{ 
-    int Nstop = fine.Nstop(); //==N_true_get
-    int Nm = fine.Nm();
-    int Nk = fine.Nk();
-    RealD resid = fine.stop_rsd;
-    int MaxIt = fine.maxits;
-    
-    assert(nbasis<=Nm);    
-    Chebyshev<FermionField>      Cheby(fine.getChebyParams());
-    FunctionHermOp<FermionField> ChebyOp(Cheby,SchurOp);
-    PlainHermOp<FermionField>    Op(SchurOp);
-
-    evals.resize(Nm);
-    evecs.resize(Nm,FrbGrid);
-    
-    ImplicitlyRestartedLanczos<FermionField> IRL(ChebyOp,Op,Nstop,Nk,Nm,resid,MaxIt,0,0);
-
-    FermionField src(FrbGrid); 
-    typedef typename FermionField::scalar_type Scalar;
-    src=Scalar(1.0); 
-    src.Checkerboard() = Odd;
-
-    int Nconv;
-    IRL.calc(evals, evecs,src,Nconv,false);
-    if(Nconv < Nstop) assert(0 && "Fine lanczos failed to converge the required number of evecs"); //algorithm doesn't consider this a failure
-    if(Nconv > Nstop){
-      //Yes this potentially throws away some evecs but it is better than having a random number of evecs between Nstop and Nm!
-      evals.resize(Nstop);
-      evecs.resize(Nstop, FrbGrid);
-    }
-    
-    if(args.write_fine){
-      std::string evals_file = args.write_fine_file + "_evals.xml";
-      std::string evecs_file = args.write_fine_file + "_evecs.scidac";
-
-      std::cout << GridLogIRL<< "Writing evecs to "<<evecs_file<<std::endl;
-
-      emptyUserRecord record;
-      Grid::ScidacWriter WR(FrbGrid->IsBoss());
-      WR.open(evecs_file);
-      for(int k=0;k<evecs.size();k++) {
-	WR.writeScidacFieldRecord(evecs[k],record);
-      }
-      WR.close();
-
-      std::cout << GridLogIRL<< "Writing evals to "<<evals_file<<std::endl;
-      
-      XmlWriter WRx(evals_file);
-      write(WRx,"evals",evals);
-    }    
-  }
-    
-  //Do the compression
-  LocalCoherenceCompressor<SiteSpinor,vTComplex,nbasis> compressor;
-  std::vector<FermionField> basis(nbasis,FrbGrid);
-  std::vector<CoarseField> compressed_evecs(evecs.size(),CoarseGrid5);
-  
-  compressor.compress(basis, compressed_evecs, evecs, FrbGrid, CoarseGrid5);
-
-  compareBlockPromoteTimings(basis, compressed_evecs);
-
-  //Compare uncompressed and original evecs
-  compressor.compareEvecs(basis, compressed_evecs, evecs);
-  
-  //Create the smoother
-  Chebyshev<FermionField> smoother(fine.getChebyParams());
-  
-  //Test the quality of the uncompressed evecs
-  assert( compressor.testCompression(SchurOp, smoother, basis, compressed_evecs, evals, fine.stop_rsd, args.coarse_relax_tol) );   
-}
-
-template<typename ActionType>
-void run(ActionType &action, const std::string &config, const Args &args){
-  switch(args.basis_size){
-  case 50:
-    return run_b<50>(action,config,args);
-  case 100:
-    return run_b<100>(action,config,args);
-  case 150:
-    return run_b<150>(action,config,args);
-  case 200:
-    return run_b<200>(action,config,args);
-  case 250:
-    return run_b<250>(action,config,args);
-  default:
-    assert(0 && "Unsupported basis size: allowed values are 50,100,200");
-  }
-}
-
-
-
-
-//Note:  because we rely upon physical properties we must use a "real" gauge configuration
-int main (int argc, char ** argv) {
-  Grid_init(&argc,&argv);
-  GridLogIRL.TimingMode(1);
-
-  if(argc < 3){
-    std::cout << GridLogMessage << "Usage: <exe> <config file> <gparity dirs> <options>" << std::endl;
-    std::cout << GridLogMessage << "<gparity dirs> should have the format a.b.c where a,b,c are 0,1 depending on whether there are G-parity BCs in that direction" << std::endl;
-    std::cout << GridLogMessage << "Options:" << std::endl;
-    std::cout << GridLogMessage << "--Ls <value> : Set Ls (default 12)" << std::endl;
-    std::cout << GridLogMessage << "--mass <value> : Set the mass (default 0.01)" << std::endl;
-    std::cout << GridLogMessage << "--block <value> : Set the block size. Format should be a.b.c.d.e where a-e are the block extents  (default 2.2.2.2.2)" << std::endl;
-    std::cout << GridLogMessage << "--is_cps_cfg : Indicate that the configuration was generated with CPS where until recently the stored plaquette was wrong by a factor of 2" << std::endl;
-    std::cout << GridLogMessage << "--write_irl_templ: Write a template for the parameters file of the Lanczos to \"irl_templ.xml\"" << std::endl;
-    std::cout << GridLogMessage << "--read_irl_fine <filename>: Real the parameters file for the fine Lanczos" << std::endl;
-    std::cout << GridLogMessage << "--write_fine <filename stub>: Write fine evecs/evals to filename starting with the stub" << std::endl;
-    std::cout << GridLogMessage << "--read_fine <filename stub>: Read fine evecs/evals from filename starting with the stub" << std::endl;    
-    std::cout << GridLogMessage << "--coarse_relax_tol : Set the relaxation parameter for evaluating the residual of the reconstructed eigenvectors outside of the basis (default 1e5)" << std::endl;
-    std::cout << GridLogMessage << "--action : Set the action from 'DWF', 'Mobius'  (default Mobius)" << std::endl;
-    std::cout << GridLogMessage << "--mobius_scale : Set the Mobius scale b+c (default 2)" << std::endl;
-    std::cout << GridLogMessage << "--basis_size : Set the basis size from 50,100,150,200,250 (default 100)" << std::endl;
-
-    Grid_finalize();
-    return 1;
-  }
-  std::string config = argv[1];
-
-  Args args;
-  GridCmdOptionIntVector(argv[2], args.GparityDirs);
-  assert(args.GparityDirs.size() == 3);
-
-  std::string action_s = "Mobius"; 
-  
-  for(int i=3;i<argc;i++){
-    std::string sarg = argv[i];
-    if(sarg == "--Ls"){
-      args.Ls = std::stoi(argv[i+1]);
-      std::cout << GridLogMessage << "Set Ls to " << args.Ls << std::endl;
-    }else if(sarg == "--mass"){
-      std::istringstream ss(argv[i+1]); ss >> args.mass;
-      std::cout << GridLogMessage << "Set quark mass to " << args.mass << std::endl;
-    }else if(sarg == "--block"){
-      GridCmdOptionIntVector(argv[i+1], args.blockSize);
-      assert(args.blockSize.size() == 5);
-      std::cout << GridLogMessage << "Set block size to ";
-      for(int q=0;q<5;q++) std::cout << args.blockSize[q] << " ";
-      std::cout << std::endl;      
-    }else if(sarg == "--is_cps_cfg"){
-      args.is_cps_cfg = true;
-    }else if(sarg == "--write_irl_templ"){
-      XmlWriter writer("irl_templ.xml");
-      write(writer,"Params",args.fine);
-      Grid_finalize();
-      return 0;
-    }else if(sarg == "--read_irl_fine"){
-      std::cout << GridLogMessage << "Reading fine IRL params from " << argv[i+1] << std::endl;
-      XmlReader reader(argv[i+1]);
-      read(reader, "Params", args.fine);
-    }else if(sarg == "--write_fine"){
-      args.write_fine = true;
-      args.write_fine_file = argv[i+1];
-    }else if(sarg == "--read_fine"){
-      args.read_fine = true;
-      args.read_fine_file = argv[i+1];
-    }else if(sarg == "--coarse_relax_tol"){
-      std::istringstream ss(argv[i+1]); ss >> args.coarse_relax_tol;
-      std::cout << GridLogMessage << "Set coarse IRL relaxation parameter to " << args.coarse_relax_tol << std::endl;
-    }else if(sarg == "--action"){
-      action_s = argv[i+1];
-      std::cout << "Action set to " << action_s << std::endl;
-    }else if(sarg == "--mobius_scale"){
-      std::istringstream ss(argv[i+1]); ss >> args.mobius_scale;
-      std::cout << GridLogMessage << "Set Mobius scale to " << args.mobius_scale << std::endl;
-    }else if(sarg == "--basis_size"){
-      args.basis_size = std::stoi(argv[i+1]);
-      std::cout << GridLogMessage << "Set basis size to " << args.basis_size << std::endl;
-    }
-  }
-  
-  //Fine grids
-  GridCartesian         * UGrid     = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(),  GridDefaultSimd(Nd,vComplex::Nsimd()),   GridDefaultMpi());
-  GridRedBlackCartesian * UrbGrid   = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
-  GridCartesian         * FGrid     = SpaceTimeGrid::makeFiveDimGrid(args.Ls,UGrid);
-  GridRedBlackCartesian * FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(args.Ls,UGrid);
-
-  LatticeGaugeField Umu(UGrid);  
-  
-  bool is_gparity = false;
-  for(auto g : args.GparityDirs) if(g) is_gparity = true;
-
-  double bmc =  1.;      
-  double b = (args.mobius_scale + bmc)/2.;  // b = 1/2 [ (b+c) + (b-c) ]
-  double c = (args.mobius_scale - bmc)/2.;  // c = 1/2 [ (b+c) - (b-c) ]
-    
-  if(is_gparity){
-    GparityWilsonImplD::ImplParams Params = setupGparityParams(args.GparityDirs);
-    readConfiguration<ConjugateGimplD>(Umu, config, args.is_cps_cfg);   //Read the gauge field
-    
-    if(action_s == "DWF"){    
-      GparityDomainWallFermionD action(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, args.mass, args.M5, Params);
-      run(action, config, args);
-    }else if(action_s == "Mobius"){
-      GparityMobiusFermionD action(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, args.mass, args.M5, b, c, Params);
-      run(action, config, args);	    
-    }      
-  }else{
-    WilsonImplD::ImplParams Params = setupParams();
-    readConfiguration<PeriodicGimplD>(Umu, config, args.is_cps_cfg);   //Read the gauge field
-    
-    if(action_s == "DWF"){    
-      DomainWallFermionD action(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, args.mass, args.M5, Params);
-      run(action, config, args);
-    }else if(action_s == "Mobius"){
-      MobiusFermionD action(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, args.mass, args.M5, b, c, Params);
-      run(action, config, args);	    
-    }
-  } 
-  
-  Grid_finalize();
-}