Remove extra face kernels in Dirichlet

14TF/s on a Perlmutter node

Grid/DisableWarnings.h

@@ -44,14 +44,22 @@ directory
 #ifdef __NVCC__
  //disables nvcc specific warning in json.hpp
 #pragma clang diagnostic ignored "-Wdeprecated-register"
+
+#if (__CUDACC_VER_MAJOR__ >= 11) && (__CUDACC_VER_MINOR__ >= 5)
+ //disables nvcc specific warning in json.hpp
+#pragma nv_diag_suppress unsigned_compare_with_zero
+#pragma nv_diag_suppress cast_to_qualified_type
+ //disables nvcc specific warning in many files
+#pragma nv_diag_suppress esa_on_defaulted_function_ignored
+#pragma nv_diag_suppress extra_semicolon
+#else
+ //disables nvcc specific warning in json.hpp
 #pragma diag_suppress unsigned_compare_with_zero
 #pragma diag_suppress cast_to_qualified_type
-
  //disables nvcc specific warning in many files
 #pragma diag_suppress esa_on_defaulted_function_ignored
 #pragma diag_suppress extra_semicolon
-
+#endif
-//Eigen only
 #endif
 
 // Disable vectorisation in Eigen on the Power8/9 and PowerPC

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/Grid_Eigen_Dense.h

@@ -14,7 +14,11 @@
 /* NVCC save and restore compile environment*/
 #ifdef __NVCC__
 #pragma push
+#if (__CUDACC_VER_MAJOR__ >= 11) && (__CUDACC_VER_MINOR__ >= 5)
+#pragma nv_diag_suppress code_is_unreachable
+#else
 #pragma diag_suppress code_is_unreachable
+#endif
 #pragma push_macro("__CUDA_ARCH__")
 #pragma push_macro("__NVCC__")
 #pragma push_macro("__CUDACC__")

Grid/algorithms/CoarsenedMatrix.h

@@ -358,7 +358,7 @@ public:
     autoView( in_v , in, AcceleratorRead);
     autoView( out_v , out, AcceleratorWrite);
     autoView( Stencil_v  , Stencil, AcceleratorRead);
-    auto& geom_v = geom;
+    int npoint = geom.npoint;
     typedef LatticeView<Cobj> Aview;
       
     Vector<Aview> AcceleratorViewContainer;
@@ -380,7 +380,7 @@ public:
       int ptype;
       StencilEntry *SE;
 
-      for(int point=0;point<geom_v.npoint;point++){
+      for(int point=0;point<npoint;point++){
 
 	SE=Stencil_v.GetEntry(ptype,point,ss);
 	  
@@ -424,7 +424,7 @@ public:
     autoView( in_v , in, AcceleratorRead);
     autoView( out_v , out, AcceleratorWrite);
     autoView( Stencil_v  , Stencil, AcceleratorRead);
-    auto& geom_v = geom;
+    int npoint = geom.npoint;
     typedef LatticeView<Cobj> Aview;
 
     Vector<Aview> AcceleratorViewContainer;
@@ -454,7 +454,7 @@ public:
       int ptype;
       StencilEntry *SE;
 
-      for(int p=0;p<geom_v.npoint;p++){
+      for(int p=0;p<npoint;p++){
         int point = points_p[p];
 
 	SE=Stencil_v.GetEntry(ptype,point,ss);

Grid/algorithms/LinearOperator.h

@@ -52,6 +52,7 @@ public:
   virtual void AdjOp  (const Field &in, Field &out) = 0; // Abstract base
   virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2)=0;
   virtual void HermOp(const Field &in, Field &out)=0;
+  virtual ~LinearOperatorBase(){};
 };
 
 
@@ -507,7 +508,7 @@ class SchurStaggeredOperator :  public SchurOperatorBase<Field> {
   virtual  void MpcDag   (const Field &in, Field &out){
     Mpc(in,out);
   }
-  virtual void MpcDagMpc(const Field &in, Field &out,RealD &ni,RealD &no) {
+  virtual void MpcDagMpc(const Field &in, Field &out) {
     assert(0);// Never need with staggered
   }
 };
@@ -585,6 +586,7 @@ class HermOpOperatorFunction : public OperatorFunction<Field> {
 template<typename Field>
 class PlainHermOp : public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
   LinearOperatorBase<Field> &_Linop;
       
   PlainHermOp(LinearOperatorBase<Field>& linop) : _Linop(linop) 
@@ -598,6 +600,7 @@ public:
 template<typename Field>
 class FunctionHermOp : public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator(); 
   OperatorFunction<Field>   & _poly;
   LinearOperatorBase<Field> &_Linop;
       

Grid/algorithms/Preconditioner.h

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

Grid/algorithms/SparseMatrix.h

@@ -48,6 +48,7 @@ public:
   virtual  void Mdiag    (const Field &in, Field &out)=0;
   virtual  void Mdir     (const Field &in, Field &out,int dir, int disp)=0;
   virtual  void MdirAll  (const Field &in, std::vector<Field> &out)=0;
+  virtual ~SparseMatrixBase() {};
 };
 
 /////////////////////////////////////////////////////////////////////////////////////////////
@@ -72,7 +73,7 @@ public:
   virtual  void MeooeDag    (const Field &in, Field &out)=0;
   virtual  void MooeeDag    (const Field &in, Field &out)=0;
   virtual  void MooeeInvDag (const Field &in, Field &out)=0;
-
+  virtual ~CheckerBoardedSparseMatrixBase() {};
 };
 
 NAMESPACE_END(Grid);

Grid/algorithms/iterative/BiCGSTABMixedPrec.h

@@ -37,6 +37,7 @@ template<class FieldD, class FieldF, typename std::enable_if< getPrecision<Field
 class MixedPrecisionBiCGSTAB : public LinearFunction<FieldD> 
 {
   public:
+    using LinearFunction<FieldD>::operator();
     RealD   Tolerance;
     RealD   InnerTolerance; // Initial tolerance for inner CG. Defaults to Tolerance but can be changed
     Integer MaxInnerIterations;

Grid/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -36,6 +36,7 @@ NAMESPACE_BEGIN(Grid);
     typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
   class MixedPrecisionConjugateGradient : public LinearFunction<FieldD> {
   public:
+    using LinearFunction<FieldD>::operator();
     RealD   Tolerance;
     RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
     Integer MaxInnerIterations;

Grid/algorithms/iterative/Deflation.h

@@ -33,16 +33,19 @@ namespace Grid {
 template<class Field>
 class ZeroGuesser: public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
     virtual void operator()(const Field &src, Field &guess) { guess = Zero(); };
 };
 template<class Field>
 class DoNothingGuesser: public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
   virtual void operator()(const Field &src, Field &guess) {  };
 };
 template<class Field>
 class SourceGuesser: public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
   virtual void operator()(const Field &src, Field &guess) { guess = src; };
 };
 
@@ -57,6 +60,7 @@ private:
   const unsigned int       N;
 
 public:
+  using LinearFunction<Field>::operator();
 
   DeflatedGuesser(const std::vector<Field> & _evec,const std::vector<RealD> & _eval)
   : DeflatedGuesser(_evec, _eval, _evec.size())
@@ -87,6 +91,7 @@ private:
   const std::vector<RealD>       &eval_coarse;
 public:
   
+  using LinearFunction<FineField>::operator();
   LocalCoherenceDeflatedGuesser(const std::vector<FineField>   &_subspace,
 				const std::vector<CoarseField> &_evec_coarse,
 				const std::vector<RealD>       &_eval_coarse)
@@ -108,7 +113,43 @@ public:
     blockPromote(guess_coarse,guess,subspace);
     guess.Checkerboard() = src.Checkerboard();
   };
-};
+
+  void operator()(const std::vector<FineField> &src,std::vector<FineField> &guess) {
+    int Nevec = (int)evec_coarse.size();
+    int Nsrc = (int)src.size();
+    // make temp variables
+    std::vector<CoarseField> src_coarse(Nsrc,evec_coarse[0].Grid());
+    std::vector<CoarseField> guess_coarse(Nsrc,evec_coarse[0].Grid());    
+    //Preporcessing
+    std::cout << GridLogMessage << "Start BlockProject for loop" << std::endl;
+    for (int j=0;j<Nsrc;j++)
+    {
+    guess_coarse[j] = Zero();
+    std::cout << GridLogMessage << "BlockProject iter: " << j << std::endl;
+    blockProject(src_coarse[j],src[j],subspace);
+    }
+    //deflation set up for eigen vector batchsize 1 and source batch size equal number of sources
+    std::cout << GridLogMessage << "Start ProjectAccum for loop" << std::endl;
+    for (int i=0;i<Nevec;i++)
+    {
+      std::cout << GridLogMessage << "ProjectAccum Nvec: " << i << std::endl;
+      const CoarseField & tmp = evec_coarse[i];
+      for (int j=0;j<Nsrc;j++)
+      {
+        axpy(guess_coarse[j],TensorRemove(innerProduct(tmp,src_coarse[j])) / eval_coarse[i],tmp,guess_coarse[j]);
+      }
+    }
+    //postprocessing
+    std::cout << GridLogMessage << "Start BlockPromote for loop" << std::endl;
+    for (int j=0;j<Nsrc;j++)
+    {
+    std::cout << GridLogMessage << "BlockProject iter: " << j << std::endl;
+    blockPromote(guess_coarse[j],guess[j],subspace);
+    guess[j].Checkerboard() = src[j].Checkerboard();
+    }
+  };
+
+  };
 
 
 

Grid/algorithms/iterative/LocalCoherenceLanczos.h

@@ -67,6 +67,7 @@ public:
 template<class Fobj,class CComplex,int nbasis>
 class ProjectedHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
 public:
+  using LinearFunction<Lattice<iVector<CComplex,nbasis > > >::operator();
   typedef iVector<CComplex,nbasis >           CoarseSiteVector;
   typedef Lattice<CoarseSiteVector>           CoarseField;
   typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
@@ -97,6 +98,7 @@ public:
 template<class Fobj,class CComplex,int nbasis>
 class ProjectedFunctionHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
 public:
+  using LinearFunction<Lattice<iVector<CComplex,nbasis > > >::operator();
   typedef iVector<CComplex,nbasis >           CoarseSiteVector;
   typedef Lattice<CoarseSiteVector>           CoarseField;
   typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field

Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h

@@ -43,7 +43,7 @@ NAMESPACE_BEGIN(Grid);
 template<class Field>
 class PrecGeneralisedConjugateResidual : public LinearFunction<Field> {
 public:                                                
-
+  using LinearFunction<Field>::operator();
   RealD   Tolerance;
   Integer MaxIterations;
   int verbose;

Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h

@@ -43,7 +43,7 @@ NAMESPACE_BEGIN(Grid);
 template<class Field>
 class PrecGeneralisedConjugateResidualNonHermitian : public LinearFunction<Field> {
 public:                                                
-
+  using LinearFunction<Field>::operator();
   RealD   Tolerance;
   Integer MaxIterations;
   int verbose;
@@ -119,7 +119,8 @@ public:
   RealD GCRnStep(const Field &src, Field &psi,RealD rsq){
 
     RealD cp;
-    ComplexD a, b, zAz;
+    ComplexD a, b;
+    //    ComplexD zAz;
     RealD zAAz;
     ComplexD rq;
 
@@ -146,7 +147,7 @@ public:
     //////////////////////////////////
     MatTimer.Start();
     Linop.Op(psi,Az);
-    zAz = innerProduct(Az,psi);
+    //    zAz = innerProduct(Az,psi);
     zAAz= norm2(Az);
     MatTimer.Stop();
     
@@ -170,7 +171,7 @@ public:
 
     LinalgTimer.Start();
 
-    zAz = innerProduct(Az,psi);
+    //    zAz = innerProduct(Az,psi);
     zAAz= norm2(Az);
 
     //p[0],q[0],qq[0] 
@@ -212,7 +213,7 @@ public:
       MatTimer.Start();
       Linop.Op(z,Az);
       MatTimer.Stop();
-      zAz = innerProduct(Az,psi);
+      //      zAz = innerProduct(Az,psi);
       zAAz= norm2(Az);
 
       LinalgTimer.Start();

Grid/allocator/MemoryManager.cc

@@ -9,14 +9,30 @@ NAMESPACE_BEGIN(Grid);
 #define AccSmall (3)
 #define Shared   (4)
 #define SharedSmall (5)
+#undef GRID_MM_VERBOSE 
 uint64_t total_shared;
 uint64_t total_device;
 uint64_t total_host;;
 void MemoryManager::PrintBytes(void)
 {
-  std::cout << " MemoryManager : "<<total_shared<<" shared      bytes "<<std::endl;
+  std::cout << " MemoryManager : ------------------------------------ "<<std::endl;
-  std::cout << " MemoryManager : "<<total_device<<" accelerator bytes "<<std::endl;
+  std::cout << " MemoryManager : PrintBytes "<<std::endl;
-  std::cout << " MemoryManager : "<<total_host  <<" cpu         bytes "<<std::endl;
+  std::cout << " MemoryManager : ------------------------------------ "<<std::endl;
+  std::cout << " MemoryManager : "<<(total_shared>>20)<<" shared      Mbytes "<<std::endl;
+  std::cout << " MemoryManager : "<<(total_device>>20)<<" accelerator Mbytes "<<std::endl;
+  std::cout << " MemoryManager : "<<(total_host>>20)  <<" cpu         Mbytes "<<std::endl;
+  uint64_t cacheBytes;
+  cacheBytes = CacheBytes[Cpu];
+  std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" cpu cache Mbytes "<<std::endl;
+  cacheBytes = CacheBytes[Acc];
+  std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" acc cache Mbytes "<<std::endl;
+  cacheBytes = CacheBytes[Shared];
+  std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" shared cache Mbytes "<<std::endl;
+  
+#ifdef GRID_CUDA
+  cuda_mem();
+#endif
+  
 }
 
 //////////////////////////////////////////////////////////////////////
@@ -24,86 +40,114 @@ void MemoryManager::PrintBytes(void)
 //////////////////////////////////////////////////////////////////////
 MemoryManager::AllocationCacheEntry MemoryManager::Entries[MemoryManager::NallocType][MemoryManager::NallocCacheMax];
 int MemoryManager::Victim[MemoryManager::NallocType];
-int MemoryManager::Ncache[MemoryManager::NallocType] = { 8, 32, 8, 32, 8, 32 };
+int MemoryManager::Ncache[MemoryManager::NallocType] = { 2, 8, 2, 8, 2, 8 };
-
+uint64_t MemoryManager::CacheBytes[MemoryManager::NallocType];
 //////////////////////////////////////////////////////////////////////
 // Actual allocation and deallocation utils
 //////////////////////////////////////////////////////////////////////
 void *MemoryManager::AcceleratorAllocate(size_t bytes)
 {
+  total_device+=bytes;
   void *ptr = (void *) Lookup(bytes,Acc);
   if ( ptr == (void *) NULL ) {
     ptr = (void *) acceleratorAllocDevice(bytes);
-    total_device+=bytes;
   }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"AcceleratorAllocate "<<std::endl;
+  PrintBytes();
+#endif
   return ptr;
 }
 void  MemoryManager::AcceleratorFree    (void *ptr,size_t bytes)
 {
+  total_device-=bytes;
   void *__freeme = Insert(ptr,bytes,Acc);
   if ( __freeme ) {
     acceleratorFreeDevice(__freeme);
-    total_device-=bytes;
-    //    PrintBytes();
   }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"AcceleratorFree "<<std::endl;
+  PrintBytes();
+#endif
 }
 void *MemoryManager::SharedAllocate(size_t bytes)
 {
+  total_shared+=bytes;
   void *ptr = (void *) Lookup(bytes,Shared);
   if ( ptr == (void *) NULL ) {
     ptr = (void *) acceleratorAllocShared(bytes);
-    total_shared+=bytes;
-    //    std::cout <<"AcceleratorAllocate: allocated Shared pointer "<<std::hex<<ptr<<std::dec<<std::endl;
-    //    PrintBytes();
   }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"SharedAllocate "<<std::endl;
+  PrintBytes();
+#endif
   return ptr;
 }
 void  MemoryManager::SharedFree    (void *ptr,size_t bytes)
 {
+  total_shared-=bytes;
   void *__freeme = Insert(ptr,bytes,Shared);
   if ( __freeme ) {
     acceleratorFreeShared(__freeme);
-    total_shared-=bytes;
-    //    PrintBytes();
   }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"SharedFree "<<std::endl;
+  PrintBytes();
+#endif
 }
 #ifdef GRID_UVM
 void *MemoryManager::CpuAllocate(size_t bytes)
 {
+  total_host+=bytes;
   void *ptr = (void *) Lookup(bytes,Cpu);
   if ( ptr == (void *) NULL ) {
     ptr = (void *) acceleratorAllocShared(bytes);
-    total_host+=bytes;
   }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"CpuAllocate "<<std::endl;
+  PrintBytes();
+#endif
   return ptr;
 }
 void  MemoryManager::CpuFree    (void *_ptr,size_t bytes)
 {
+  total_host-=bytes;
   NotifyDeletion(_ptr);
   void *__freeme = Insert(_ptr,bytes,Cpu);
   if ( __freeme ) { 
     acceleratorFreeShared(__freeme);
-    total_host-=bytes;
   }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"CpuFree "<<std::endl;
+  PrintBytes();
+#endif
 }
 #else
 void *MemoryManager::CpuAllocate(size_t bytes)
 {
+  total_host+=bytes;
   void *ptr = (void *) Lookup(bytes,Cpu);
   if ( ptr == (void *) NULL ) {
     ptr = (void *) acceleratorAllocCpu(bytes);
-    total_host+=bytes;
   }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"CpuAllocate "<<std::endl;
+  PrintBytes();
+#endif
   return ptr;
 }
 void  MemoryManager::CpuFree    (void *_ptr,size_t bytes)
 {
+  total_host-=bytes;
   NotifyDeletion(_ptr);
   void *__freeme = Insert(_ptr,bytes,Cpu);
   if ( __freeme ) { 
     acceleratorFreeCpu(__freeme);
-    total_host-=bytes;
   }
+#ifdef GRID_MM_VERBOSE
+  std::cout <<"CpuFree "<<std::endl;
+  PrintBytes();
+#endif
 }
 #endif
 
@@ -115,7 +159,6 @@ void MemoryManager::Init(void)
 
   char * str;
   int Nc;
-  int NcS;
   
   str= getenv("GRID_ALLOC_NCACHE_LARGE");
   if ( str ) {
@@ -181,13 +224,13 @@ void *MemoryManager::Insert(void *ptr,size_t bytes,int type)
 #ifdef ALLOCATION_CACHE
   bool small = (bytes < GRID_ALLOC_SMALL_LIMIT);
   int cache = type + small;
-  return Insert(ptr,bytes,Entries[cache],Ncache[cache],Victim[cache]);  
+  return Insert(ptr,bytes,Entries[cache],Ncache[cache],Victim[cache],CacheBytes[cache]);  
 #else
   return ptr;
 #endif
 }
 
-void *MemoryManager::Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim) 
+void *MemoryManager::Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim, uint64_t &cacheBytes) 
 {
   assert(ncache>0);
 #ifdef GRID_OMP
@@ -211,6 +254,7 @@ void *MemoryManager::Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries
 
   if ( entries[v].valid ) {
     ret = entries[v].address;
+    cacheBytes -= entries[v].bytes;
     entries[v].valid = 0;
     entries[v].address = NULL;
     entries[v].bytes = 0;
@@ -219,6 +263,7 @@ void *MemoryManager::Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries
   entries[v].address=ptr;
   entries[v].bytes  =bytes;
   entries[v].valid  =1;
+  cacheBytes += bytes;
 
   return ret;
 }
@@ -228,13 +273,13 @@ void *MemoryManager::Lookup(size_t bytes,int type)
 #ifdef ALLOCATION_CACHE
   bool small = (bytes < GRID_ALLOC_SMALL_LIMIT);
   int cache = type+small;
-  return Lookup(bytes,Entries[cache],Ncache[cache]);
+  return Lookup(bytes,Entries[cache],Ncache[cache],CacheBytes[cache]);
 #else
   return NULL;
 #endif
 }
 
-void *MemoryManager::Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache) 
+void *MemoryManager::Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache,uint64_t & cacheBytes) 
 {
   assert(ncache>0);
 #ifdef GRID_OMP
@@ -243,6 +288,7 @@ void *MemoryManager::Lookup(size_t bytes,AllocationCacheEntry *entries,int ncach
   for(int e=0;e<ncache;e++){
     if ( entries[e].valid && ( entries[e].bytes == bytes ) ) {
       entries[e].valid = 0;
+      cacheBytes -= entries[e].bytes;
       return entries[e].address;
     }
   }

Grid/allocator/MemoryManager.h

@@ -82,14 +82,15 @@ private:
   static AllocationCacheEntry Entries[NallocType][NallocCacheMax];
   static int Victim[NallocType];
   static int Ncache[NallocType];
+  static uint64_t CacheBytes[NallocType];
 
   /////////////////////////////////////////////////
   // Free pool
   /////////////////////////////////////////////////
   static void *Insert(void *ptr,size_t bytes,int type) ;
   static void *Lookup(size_t bytes,int type) ;
-  static void *Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim) ;
+  static void *Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim,uint64_t &cbytes) ;
-  static void *Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache) ;
+  static void *Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache,uint64_t &cbytes) ;
 
   static void PrintBytes(void);
  public:
@@ -169,6 +170,7 @@ private:
 
  public:
   static void Print(void);
+  static void PrintState( void* CpuPtr);
   static int   isOpen   (void* CpuPtr);
   static void  ViewClose(void* CpuPtr,ViewMode mode);
   static void *ViewOpen (void* CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint);

Grid/allocator/MemoryManagerCache.cc

@@ -3,7 +3,7 @@
 
 #warning "Using explicit device memory copies"
 NAMESPACE_BEGIN(Grid);
-//define dprintf(...) printf ( __VA_ARGS__ ); fflush(stdout);
+//#define dprintf(...) printf ( __VA_ARGS__ ); fflush(stdout);
 #define dprintf(...)
 
 
@@ -429,6 +429,7 @@ void  MemoryManager::NotifyDeletion(void *_ptr)
 }
 void  MemoryManager::Print(void)
 {
+  PrintBytes();
   std::cout << GridLogDebug << "--------------------------------------------" << std::endl;
   std::cout << GridLogDebug << "Memory Manager                             " << std::endl;
   std::cout << GridLogDebug << "--------------------------------------------" << std::endl;
@@ -473,6 +474,32 @@ int   MemoryManager::isOpen   (void* _CpuPtr)
   }
 }
 
+void MemoryManager::PrintState(void* _CpuPtr)
+{
+  uint64_t CpuPtr = (uint64_t)_CpuPtr;
+
+  if ( EntryPresent(CpuPtr) ){
+    auto AccCacheIterator = EntryLookup(CpuPtr);
+    auto & AccCache = AccCacheIterator->second;
+    std::string str;
+    if ( AccCache.state==Empty    ) str = std::string("Empty");
+    if ( AccCache.state==CpuDirty ) str = std::string("CpuDirty");
+    if ( AccCache.state==AccDirty ) str = std::string("AccDirty");
+    if ( AccCache.state==Consistent)str = std::string("Consistent");
+    if ( AccCache.state==EvictNext) str = std::string("EvictNext");
+
+    std::cout << GridLogMessage << "CpuAddr\t\tAccAddr\t\tState\t\tcpuLock\taccLock\tLRU_valid "<<std::endl;
+    std::cout << GridLogMessage << "0x"<<std::hex<<AccCache.CpuPtr<<std::dec
+    << "\t0x"<<std::hex<<AccCache.AccPtr<<std::dec<<"\t" <<str
+    << "\t" << AccCache.cpuLock
+    << "\t" << AccCache.accLock
+    << "\t" << AccCache.LRU_valid<<std::endl;
+
+  } else {
+    std::cout << GridLogMessage << "No Entry in AccCache table." << std::endl; 
+  }
+}
+
 NAMESPACE_END(Grid);
 
 #endif

Grid/allocator/MemoryManagerShared.cc

@@ -16,6 +16,10 @@ uint64_t  MemoryManager::DeviceToHostXfer;
 void  MemoryManager::ViewClose(void* AccPtr,ViewMode mode){};
 void *MemoryManager::ViewOpen(void* CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint){ return CpuPtr; };
 int   MemoryManager::isOpen   (void* CpuPtr) { return 0;}
+void  MemoryManager::PrintState(void* CpuPtr)
+{
+std::cout << GridLogMessage << "Host<->Device memory movement not currently managed by Grid." << std::endl;
+};
 void  MemoryManager::Print(void){};
 void  MemoryManager::NotifyDeletion(void *ptr){};
 

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;
@@ -97,6 +98,7 @@ 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)    ;
 
@@ -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();
@@ -370,6 +372,7 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
   double off_node_bytes=0.0;
   int tag;
 
+  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);
@@ -377,7 +380,9 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
       list.push_back(rrq);
       off_node_bytes+=bytes;
     }
+  }
   
+  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);
@@ -385,21 +390,24 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
       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);
       acceleratorCopyDeviceToDeviceAsynch(xmit,shm,bytes);
-    acceleratorCopySynchronise(); // MPI prob slower
+    }
   }
   
   if ( CommunicatorPolicy == CommunicatorPolicySequential ) {
     this->StencilSendToRecvFromComplete(list,dir);
+    list.resize(0);
   }
 
   return off_node_bytes;
 }
 void CartesianCommunicator::StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &list,int dir)
 {
+  //   std::cout << "Copy Synchronised\n"<<std::endl;
+  acceleratorCopySynchronise();
+
   int nreq=list.size();
 
   if (nreq==0) return;

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
+  // 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 OptimalCommunicator            (const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &ShmDims); 
-  static void OptimalCommunicatorSharedMemory(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,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);
+  if(nscan==3 && HPEhypercube ) OptimalCommunicatorHypercube(processors,optimal_comm,SHM);
-  else                          OptimalCommunicatorSharedMemory(processors,optimal_comm);
+  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.
@@ -294,6 +294,7 @@ 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.h

@@ -46,3 +46,4 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/lattice/Lattice_unary.h>
 #include <Grid/lattice/Lattice_transfer.h>
 #include <Grid/lattice/Lattice_basis.h>
+#include <Grid/lattice/Lattice_crc.h>

Grid/lattice/Lattice_base.h

@@ -88,6 +88,13 @@ public:
     LatticeView<vobj> accessor(*( (LatticeAccelerator<vobj> *) this),mode);
     accessor.ViewClose();
   }
+
+  // Helper function to print the state of this object in the AccCache
+  void PrintCacheState(void)
+  {
+    MemoryManager::PrintState(this->_odata);
+  }
+
   /////////////////////////////////////////////////////////////////////////////////
   // Return a view object that may be dereferenced in site loops.
   // The view is trivially copy constructible and may be copied to an accelerator device

Grid/lattice/Lattice_crc.h

@@ -0,0 +1,55 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/lattice/Lattice_crc.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);
+
+template<class vobj> void DumpSliceNorm(std::string s,Lattice<vobj> &f,int mu=-1)
+{
+  auto ff = localNorm2(f);
+  if ( mu==-1 ) mu = f.Grid()->Nd()-1;
+  typedef typename vobj::tensor_reduced normtype;
+  typedef typename normtype::scalar_object scalar;
+  std::vector<scalar> sff;
+  sliceSum(ff,sff,mu);
+  for(int t=0;t<sff.size();t++){
+    std::cout << s<<" "<<t<<" "<<sff[t]<<std::endl;
+  }
+}
+
+template<class vobj> uint32_t crc(Lattice<vobj> & buf)
+{
+  autoView( buf_v , buf, CpuRead);
+  return ::crc32(0L,(unsigned char *)&buf_v[0],(size_t)sizeof(vobj)*buf.oSites());
+}
+
+#define CRC(U) std::cout << "FingerPrint "<<__FILE__ <<" "<< __LINE__ <<" "<< #U <<" "<<crc(U)<<std::endl;
+
+NAMESPACE_END(Grid);
+
+

Grid/lattice/Lattice_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
@@ -37,14 +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 << "\tmaxThreadsPerBlock  = " << warpSize << std::endl;
   std::cout << GridLogDebug << "\tmultiProcessorCount = " << multiProcessorCount << std::endl;
-  
+  */  
   if (warpSize != WARP_SIZE) {
     std::cout << GridLogError << "The warp size of the GPU in use does not match the warp size set when compiling Grid." << std::endl;
     exit(EXIT_FAILURE);
@@ -52,10 +51,14 @@ void getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator
   
   // let the number of threads in a block be a multiple of 2, starting from warpSize
   threads = warpSize;
+  if ( threads*sizeofsobj > sharedMemPerBlock ) {
+    std::cout << GridLogError << "The object is too large for the shared memory." << std::endl;
+    return 0;
+  }
   while( 2*threads*sizeofsobj < sharedMemPerBlock && 2*threads <= maxThreadsPerBlock ) threads *= 2;
   // keep all the streaming multiprocessors busy
   blocks = nextPow2(multiProcessorCount);
-  
+  return 1;
 }
 
 template <class sobj, class Iterator>
@@ -195,7 +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;
@@ -204,7 +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);
@@ -215,6 +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
 /////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -227,6 +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_transfer.h

@@ -85,6 +85,76 @@ template<class vobj> inline void setCheckerboard(Lattice<vobj> &full,const Latti
   });
 }
 
+template<class vobj> inline void acceleratorPickCheckerboard(int cb,Lattice<vobj> &half,const Lattice<vobj> &full, int checker_dim_half=0)
+{
+  half.Checkerboard() = cb;
+  autoView(half_v, half, AcceleratorWrite);
+  autoView(full_v, full, AcceleratorRead);
+  Coordinate rdim_full             = full.Grid()->_rdimensions;
+  Coordinate rdim_half             = half.Grid()->_rdimensions;
+  unsigned long ndim_half          = half.Grid()->_ndimension;
+  Coordinate checker_dim_mask_half = half.Grid()->_checker_dim_mask;
+  Coordinate ostride_half          = half.Grid()->_ostride;
+  accelerator_for(ss, full.Grid()->oSites(),full.Grid()->Nsimd(),{
+    
+    Coordinate coor;
+    int cbos;
+    int linear=0;
+
+    Lexicographic::CoorFromIndex(coor,ss,rdim_full);
+    assert(coor.size()==ndim_half);
+
+    for(int d=0;d<ndim_half;d++){ 
+      if(checker_dim_mask_half[d]) linear += coor[d];
+    }
+    cbos = (linear&0x1);
+
+    if (cbos==cb) {
+      int ssh=0;
+      for(int d=0;d<ndim_half;d++) {
+        if (d == checker_dim_half) ssh += ostride_half[d] * ((coor[d] / 2) % rdim_half[d]);
+        else ssh += ostride_half[d] * (coor[d] % rdim_half[d]);
+      }
+      coalescedWrite(half_v[ssh],full_v(ss));
+    }
+  });
+}
+template<class vobj> inline void acceleratorSetCheckerboard(Lattice<vobj> &full,const Lattice<vobj> &half, int checker_dim_half=0)
+{
+  int cb = half.Checkerboard();
+  autoView(half_v , half, AcceleratorRead);
+  autoView(full_v , full, AcceleratorWrite);
+  Coordinate rdim_full             = full.Grid()->_rdimensions;
+  Coordinate rdim_half             = half.Grid()->_rdimensions;
+  unsigned long ndim_half          = half.Grid()->_ndimension;
+  Coordinate checker_dim_mask_half = half.Grid()->_checker_dim_mask;
+  Coordinate ostride_half          = half.Grid()->_ostride;
+  accelerator_for(ss,full.Grid()->oSites(),full.Grid()->Nsimd(),{
+
+    Coordinate coor;
+    int cbos;
+    int linear=0;
+  
+    Lexicographic::CoorFromIndex(coor,ss,rdim_full);
+    assert(coor.size()==ndim_half);
+
+    for(int d=0;d<ndim_half;d++){ 
+      if(checker_dim_mask_half[d]) linear += coor[d];
+    }
+    cbos = (linear&0x1);
+
+    if (cbos==cb) {
+      int ssh=0;
+      for(int d=0;d<ndim_half;d++){
+        if (d == checker_dim_half) ssh += ostride_half[d] * ((coor[d] / 2) % rdim_half[d]);
+        else ssh += ostride_half[d] * (coor[d] % rdim_half[d]);
+      }
+      coalescedWrite(full_v[ss],half_v(ssh));
+    }
+
+  });
+}
+
 ////////////////////////////////////////////////////////////////////////////////////////////
 // Flexible Type Conversion for internal promotion to double as well as graceful
 // treatment of scalar-compatible types

Grid/log/Log.cc

@@ -69,6 +69,7 @@ GridLogger GridLogDebug  (1, "Debug", GridLogColours, "PURPLE");
 GridLogger GridLogPerformance(1, "Performance", GridLogColours, "GREEN");
 GridLogger GridLogIterative  (1, "Iterative", GridLogColours, "BLUE");
 GridLogger GridLogIntegrator (1, "Integrator", GridLogColours, "BLUE");
+GridLogger GridLogHMC (1, "HMC", GridLogColours, "BLUE");
 
 void GridLogConfigure(std::vector<std::string> &logstreams) {
   GridLogError.Active(0);
@@ -79,6 +80,7 @@ void GridLogConfigure(std::vector<std::string> &logstreams) {
   GridLogPerformance.Active(0);
   GridLogIntegrator.Active(1);
   GridLogColours.Active(0);
+  GridLogHMC.Active(1);
 
   for (int i = 0; i < logstreams.size(); i++) {
     if (logstreams[i] == std::string("Error"))       GridLogError.Active(1);
@@ -87,7 +89,8 @@ void GridLogConfigure(std::vector<std::string> &logstreams) {
     if (logstreams[i] == std::string("Iterative"))   GridLogIterative.Active(1);
     if (logstreams[i] == std::string("Debug"))       GridLogDebug.Active(1);
     if (logstreams[i] == std::string("Performance")) GridLogPerformance.Active(1);
-    if (logstreams[i] == std::string("Integrator"))  GridLogIntegrator.Active(1);
+    if (logstreams[i] == std::string("NoIntegrator"))  GridLogIntegrator.Active(0);
+    if (logstreams[i] == std::string("NoHMC"))         GridLogHMC.Active(0);
     if (logstreams[i] == std::string("Colours"))     GridLogColours.Active(1);
   }
 }

Grid/log/Log.h

@@ -182,6 +182,7 @@ extern GridLogger GridLogDebug  ;
 extern GridLogger GridLogPerformance;
 extern GridLogger GridLogIterative  ;
 extern GridLogger GridLogIntegrator  ;
+extern GridLogger GridLogHMC;
 extern Colours    GridLogColours;
 
 std::string demangle(const char* name) ;

Grid/parallelIO/IldgIO.h

@@ -31,6 +31,7 @@ directory
 #include <fstream>
 #include <iomanip>
 #include <iostream>
+#include <string>
 #include <map>
 
 #include <pwd.h>
@@ -576,6 +577,8 @@ class ScidacReader : public GridLimeReader {
     std::string rec_name(ILDG_BINARY_DATA);
     while ( limeReaderNextRecord(LimeR) == LIME_SUCCESS ) { 
       if ( !strncmp(limeReaderType(LimeR), rec_name.c_str(),strlen(rec_name.c_str()) )  ) {
+  // in principle should do the line below, but that breaks backard compatibility with old data
+  // skipPastObjectRecord(std::string(GRID_FIELD_NORM));
 	skipPastObjectRecord(std::string(SCIDAC_CHECKSUM));
 	return;
       }
@@ -652,7 +655,8 @@ class IldgWriter : public ScidacWriter {
     // Fill ILDG header data struct
     //////////////////////////////////////////////////////
     ildgFormat ildgfmt ;
-    ildgfmt.field     = std::string("su3gauge");
+    const std::string stNC = std::to_string( Nc ) ;
+    ildgfmt.field          = std::string("su"+stNC+"gauge");
 
     if ( format == std::string("IEEE32BIG") ) { 
       ildgfmt.precision = 32;
@@ -869,7 +873,8 @@ class IldgReader : public GridLimeReader {
     } else { 
 
       assert(found_ildgFormat);
-      assert ( ildgFormat_.field == std::string("su3gauge") );
+      const std::string stNC = std::to_string( Nc ) ;
+      assert ( ildgFormat_.field == std::string("su"+stNC+"gauge") );
 
       ///////////////////////////////////////////////////////////////////////////////////////
       // Populate our Grid metadata as best we can
@@ -877,7 +882,7 @@ class IldgReader : public GridLimeReader {
 
       std::ostringstream vers; vers << ildgFormat_.version;
       FieldMetaData_.hdr_version = vers.str();
-      FieldMetaData_.data_type = std::string("4D_SU3_GAUGE_3X3");
+      FieldMetaData_.data_type = std::string("4D_SU"+stNC+"_GAUGE_"+stNC+"x"+stNC);
 
       FieldMetaData_.nd=4;
       FieldMetaData_.dimension.resize(4);

Grid/parallelIO/MetaData.h

@@ -6,8 +6,8 @@
 
     Copyright (C) 2015
 
-
     Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+    Author: Jamie Hudspith <renwick.james.hudspth@gmail.com>
 
     This program is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
@@ -182,8 +182,8 @@ class GaugeStatistics
 public:
   void operator()(Lattice<vLorentzColourMatrixD> & data,FieldMetaData &header)
   {
-    header.link_trace=WilsonLoops<Impl>::linkTrace(data);
+    header.link_trace = WilsonLoops<Impl>::linkTrace(data);
-    header.plaquette =WilsonLoops<Impl>::avgPlaquette(data);
+    header.plaquette  = WilsonLoops<Impl>::avgPlaquette(data);
   }
 };
 typedef GaugeStatistics<PeriodicGimplD> PeriodicGaugeStatistics;
@@ -203,20 +203,24 @@ template<> inline void PrepareMetaData<vLorentzColourMatrixD>(Lattice<vLorentzCo
 //////////////////////////////////////////////////////////////////////
 inline void reconstruct3(LorentzColourMatrix & cm)
 {
-  const int x=0;
+  assert( Nc < 4 && Nc > 1 ) ;
-  const int y=1;
-  const int z=2;
   for(int mu=0;mu<Nd;mu++){
+    #if Nc == 2
+      cm(mu)()(1,0) = -adj(cm(mu)()(0,y)) ;
+      cm(mu)()(1,1) =  adj(cm(mu)()(0,x)) ;
+    #else
+      const int x=0 , y=1 , z=2 ; // a little disinenuous labelling
       cm(mu)()(2,x) = adj(cm(mu)()(0,y)*cm(mu)()(1,z)-cm(mu)()(0,z)*cm(mu)()(1,y)); //x= yz-zy
       cm(mu)()(2,y) = adj(cm(mu)()(0,z)*cm(mu)()(1,x)-cm(mu)()(0,x)*cm(mu)()(1,z)); //y= zx-xz
       cm(mu)()(2,z) = adj(cm(mu)()(0,x)*cm(mu)()(1,y)-cm(mu)()(0,y)*cm(mu)()(1,x)); //z= xy-yx
+    #endif
   }
 }
 
 ////////////////////////////////////////////////////////////////////////////////
 // Some data types for intermediate storage
 ////////////////////////////////////////////////////////////////////////////////
-template<typename vtype> using iLorentzColour2x3 = iVector<iVector<iVector<vtype, Nc>, 2>, Nd >;
+template<typename vtype> using iLorentzColour2x3 = iVector<iVector<iVector<vtype, Nc>, Nc-1>, Nd >;
 
 typedef iLorentzColour2x3<Complex>  LorentzColour2x3;
 typedef iLorentzColour2x3<ComplexF> LorentzColour2x3F;
@@ -278,7 +282,6 @@ struct GaugeSimpleMunger{
 
 template <class fobj, class sobj>
 struct GaugeSimpleUnmunger {
-
   void operator()(sobj &in, fobj &out) {
     for (int mu = 0; mu < Nd; mu++) {
       for (int i = 0; i < Nc; i++) {
@@ -317,8 +320,8 @@ template<class fobj,class sobj>
 struct Gauge3x2munger{
   void operator() (fobj &in,sobj &out){
     for(int mu=0;mu<Nd;mu++){
-      for(int i=0;i<2;i++){
+      for(int i=0;i<Nc-1;i++){
-	for(int j=0;j<3;j++){
+	for(int j=0;j<Nc;j++){
 	  out(mu)()(i,j) = in(mu)(i)(j);
 	}}
     }
@@ -330,8 +333,8 @@ template<class fobj,class sobj>
 struct Gauge3x2unmunger{
   void operator() (sobj &in,fobj &out){
     for(int mu=0;mu<Nd;mu++){
-      for(int i=0;i<2;i++){
+      for(int i=0;i<Nc-1;i++){
-	for(int j=0;j<3;j++){
+	for(int j=0;j<Nc;j++){
 	  out(mu)(i)(j) = in(mu)()(i,j);
 	}}
     }

Grid/parallelIO/NerscIO.h

@@ -9,6 +9,7 @@
     Author: Matt Spraggs <matthew.spraggs@gmail.com>
     Author: Peter Boyle <paboyle@ph.ed.ac.uk>
     Author: paboyle <paboyle@ph.ed.ac.uk>
+    Author: Jamie Hudspith <renwick.james.hudspth@gmail.com>
 
     This program is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
@@ -30,6 +31,8 @@
 #ifndef GRID_NERSC_IO_H
 #define GRID_NERSC_IO_H
 
+#include <string>
+
 NAMESPACE_BEGIN(Grid);
 
 using namespace Grid;
@@ -145,15 +148,17 @@ public:
 
     std::string format(header.floating_point);
 
-    int ieee32big = (format == std::string("IEEE32BIG"));
+    const int ieee32big = (format == std::string("IEEE32BIG"));
-    int ieee32    = (format == std::string("IEEE32"));
+    const int ieee32    = (format == std::string("IEEE32"));
-    int ieee64big = (format == std::string("IEEE64BIG"));
+    const int ieee64big = (format == std::string("IEEE64BIG"));
-    int ieee64    = (format == std::string("IEEE64") || format == std::string("IEEE64LITTLE"));
+    const int ieee64    = (format == std::string("IEEE64") || \
+			   format == std::string("IEEE64LITTLE"));
 
     uint32_t nersc_csum,scidac_csuma,scidac_csumb;
     // depending on datatype, set up munger;
     // munger is a function of <floating point, Real, data_type>
-    if ( header.data_type == std::string("4D_SU3_GAUGE") ) {
+    const std::string stNC = std::to_string( Nc ) ;
+    if ( header.data_type == std::string("4D_SU"+stNC+"_GAUGE") ) {
       if ( ieee32 || ieee32big ) {
 	BinaryIO::readLatticeObject<vLorentzColourMatrixD, LorentzColour2x3F> 
 	  (Umu,file,Gauge3x2munger<LorentzColour2x3F,LorentzColourMatrix>(), offset,format,
@@ -164,7 +169,7 @@ public:
 	  (Umu,file,Gauge3x2munger<LorentzColour2x3D,LorentzColourMatrix>(),offset,format,
 	   nersc_csum,scidac_csuma,scidac_csumb);
       }
-    } else if ( header.data_type == std::string("4D_SU3_GAUGE_3x3") ) {
+    } else if ( header.data_type == std::string("4D_SU"+stNC+"_GAUGE_"+stNC+"x"+stNC) ) {
       if ( ieee32 || ieee32big ) {
 	BinaryIO::readLatticeObject<vLorentzColourMatrixD,LorentzColourMatrixF>
 	  (Umu,file,GaugeSimpleMunger<LorentzColourMatrixF,LorentzColourMatrix>(),offset,format,
@@ -209,27 +214,29 @@ public:
   template<class GaugeStats=PeriodicGaugeStatistics>
   static inline void writeConfiguration(Lattice<vLorentzColourMatrixD > &Umu,
 					std::string file, 
-					std::string ens_label = std::string("DWF"))
+					std::string ens_label = std::string("DWF"),
+					std::string ens_id = std::string("UKQCD"),
+					unsigned int sequence_number = 1)
   {
-    writeConfiguration(Umu,file,0,1,ens_label);
+    writeConfiguration(Umu,file,0,1,ens_label,ens_id,sequence_number);
   }
   template<class GaugeStats=PeriodicGaugeStatistics>
   static inline void writeConfiguration(Lattice<vLorentzColourMatrixD > &Umu,
 					std::string file, 
 					int two_row,
 					int bits32,
-					std::string ens_label = std::string("DWF"))
+					std::string ens_label = std::string("DWF"),
+					std::string ens_id = std::string("UKQCD"),
+					unsigned int sequence_number = 1)
   {
     typedef vLorentzColourMatrixD vobj;
     typedef typename vobj::scalar_object sobj;
 
     FieldMetaData header;
-    ///////////////////////////////////////////
+    header.sequence_number = sequence_number;
-    // Following should become arguments
+    header.ensemble_id     = ens_id;
-    ///////////////////////////////////////////
-    header.sequence_number = 1;
-    header.ensemble_id     = std::string("UKQCD");
     header.ensemble_label  = ens_label;
+    header.hdr_version     = "1.0" ;
 
     typedef LorentzColourMatrixD fobj3D;
     typedef LorentzColour2x3D    fobj2D;
@@ -243,10 +250,14 @@ public:
 
     uint64_t offset;
 
-    // Sod it -- always write 3x3 double
+    // Sod it -- always write NcxNc double
     header.floating_point  = std::string("IEEE64BIG");
-    header.data_type      = std::string("4D_SU3_GAUGE_3x3");
+    const std::string stNC = std::to_string( Nc ) ;
-    GaugeSimpleUnmunger<fobj3D,sobj> munge;
+    if( two_row ) {
+      header.data_type = std::string("4D_SU" + stNC + "_GAUGE" );
+    } else {
+      header.data_type = std::string("4D_SU" + stNC + "_GAUGE_" + stNC + "x" + stNC );
+    }
     if ( grid->IsBoss() ) { 
       truncate(file);
       offset = writeHeader(header,file);
@@ -254,8 +265,15 @@ public:
     grid->Broadcast(0,(void *)&offset,sizeof(offset));
 
     uint32_t nersc_csum,scidac_csuma,scidac_csumb;
+    if( two_row ) {
+      Gauge3x2unmunger<fobj2D,sobj> munge;
+      BinaryIO::writeLatticeObject<vobj,fobj2D>(Umu,file,munge,offset,header.floating_point,
+						nersc_csum,scidac_csuma,scidac_csumb);
+    } else {
+      GaugeSimpleUnmunger<fobj3D,sobj> munge;
       BinaryIO::writeLatticeObject<vobj,fobj3D>(Umu,file,munge,offset,header.floating_point,
 						nersc_csum,scidac_csuma,scidac_csumb);
+    }
     header.checksum = nersc_csum;
     if ( grid->IsBoss() ) { 
       writeHeader(header,file);
@@ -288,7 +306,6 @@ public:
     MachineCharacteristics(header);
 
     uint64_t offset;
-  
 #ifdef RNG_RANLUX
     header.floating_point = std::string("UINT64");
     header.data_type      = std::string("RANLUX48");

Grid/pugixml/pugixml.cc

@@ -16,8 +16,12 @@
 
 #ifdef __NVCC__
 #pragma push
+#if (__CUDACC_VER_MAJOR__ >= 11) && (__CUDACC_VER_MINOR__ >= 5)
+#pragma nv_diag_suppress declared_but_not_referenced // suppress "function was declared but never referenced warning"
+#else
 #pragma diag_suppress declared_but_not_referenced // suppress "function was declared but never referenced warning"
 #endif
+#endif
 
 #include "pugixml.h"
 

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

@@ -37,24 +37,32 @@ NAMESPACE_BEGIN(Grid);
 // These can move into a params header and be given MacroMagic serialisation
 struct GparityWilsonImplParams {
   Coordinate twists;
-  GparityWilsonImplParams() : twists(Nd, 0) {};
+  Coordinate dirichlet; // Blocksize of dirichlet BCs
+  GparityWilsonImplParams() : twists(Nd, 0), dirichlet(Nd, 0) {};
 };
   
 struct WilsonImplParams {
   bool overlapCommsCompute;
+  Coordinate dirichlet; // Blocksize of dirichlet BCs
   AcceleratorVector<Real,Nd> twist_n_2pi_L;
   AcceleratorVector<Complex,Nd> boundary_phases;
   WilsonImplParams()  {
+    dirichlet.resize(Nd,0);
     boundary_phases.resize(Nd, 1.0);
       twist_n_2pi_L.resize(Nd, 0.0);
   };
   WilsonImplParams(const AcceleratorVector<Complex,Nd> phi) : boundary_phases(phi), overlapCommsCompute(false) {
     twist_n_2pi_L.resize(Nd, 0.0);
+    dirichlet.resize(Nd,0);
   }
 };
 
 struct StaggeredImplParams {
-  StaggeredImplParams()  {};
+  Coordinate dirichlet; // Blocksize of dirichlet BCs
+  StaggeredImplParams()
+  {
+    dirichlet.resize(Nd,0);
+  };
 };
   
   struct OneFlavourRationalParams : Serializable {

Grid/qcd/action/fermion/CayleyFermion5D.h

@@ -68,9 +68,16 @@ public:
   ///////////////////////////////////////////////////////////////
   // Support for MADWF tricks
   ///////////////////////////////////////////////////////////////
-  RealD Mass(void) { return mass; };
+  RealD Mass(void) { return (mass_plus + mass_minus) / 2.0; };
+  RealD MassPlus(void) { return mass_plus; };
+  RealD MassMinus(void) { return mass_minus; };
   void  SetMass(RealD _mass) { 
-    mass=_mass; 
+    mass_plus=mass_minus=_mass; 
+    SetCoefficientsInternal(_zolo_hi,_gamma,_b,_c);  // Reset coeffs
+  } ;
+  void  SetMass(RealD _mass_plus, RealD _mass_minus) { 
+    mass_plus=_mass_plus;
+    mass_minus=_mass_minus;
     SetCoefficientsInternal(_zolo_hi,_gamma,_b,_c);  // Reset coeffs
   } ;
   void  P(const FermionField &psi, FermionField &chi);
@@ -108,7 +115,7 @@ public:
   void   MeooeDag5D    (const FermionField &in, FermionField &out);
 
   //    protected:
-  RealD mass;
+  RealD mass_plus, mass_minus;
 
   // Save arguments to SetCoefficientsInternal
   Vector<Coeff_t> _gamma;

Grid/qcd/action/fermion/CloverHelpers.h

@@ -0,0 +1,435 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/qcd/action/fermion/WilsonCloverFermionImplementation.h
+
+    Copyright (C) 2017 - 2022
+
+    Author: paboyle <paboyle@ph.ed.ac.uk>
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
+    Author: Mattia Bruno <mattia.bruno@cern.ch>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+/*  END LEGAL */
+
+#pragma once
+
+#include <Grid/Grid.h>
+#include <Grid/qcd/spin/Dirac.h>
+#include <Grid/qcd/action/fermion/WilsonCloverHelpers.h>
+
+////////////////////////////////////////////
+// Standard Clover
+//   (4+m0) + csw * clover_term
+// Exp Clover
+//   (4+m0) * exp(csw/(4+m0) clover_term)
+//   = (4+m0) + csw * clover_term + ...
+////////////////////////////////////////////
+
+NAMESPACE_BEGIN(Grid);
+
+
+//////////////////////////////////
+// Generic Standard Clover
+//////////////////////////////////
+
+template<class Impl>
+class CloverHelpers: public WilsonCloverHelpers<Impl> {
+public:
+
+  INHERIT_IMPL_TYPES(Impl);
+  INHERIT_CLOVER_TYPES(Impl);
+
+  typedef WilsonCloverHelpers<Impl> Helpers;
+
+  static void Instantiate(CloverField& CloverTerm, CloverField& CloverTermInv, RealD csw_t, RealD diag_mass) {
+    GridBase *grid = CloverTerm.Grid();
+    CloverTerm += diag_mass;
+
+    int lvol = grid->lSites();
+    int DimRep = Impl::Dimension;
+    {
+      autoView(CTv,CloverTerm,CpuRead);
+      autoView(CTIv,CloverTermInv,CpuWrite);
+      thread_for(site, lvol, {
+        Coordinate lcoor;
+        grid->LocalIndexToLocalCoor(site, lcoor);
+        Eigen::MatrixXcd EigenCloverOp = Eigen::MatrixXcd::Zero(Ns * DimRep, Ns * DimRep);
+        Eigen::MatrixXcd EigenInvCloverOp = Eigen::MatrixXcd::Zero(Ns * DimRep, Ns * DimRep);
+        typename SiteClover::scalar_object Qx = Zero(), Qxinv = Zero();
+        peekLocalSite(Qx, CTv, lcoor);
+
+        for (int j = 0; j < Ns; j++)
+          for (int k = 0; k < Ns; k++)
+            for (int a = 0; a < DimRep; a++)
+              for (int b = 0; b < DimRep; b++){
+                auto zz =  Qx()(j, k)(a, b);
+                EigenCloverOp(a + j * DimRep, b + k * DimRep) = std::complex<double>(zz);
+              }
+
+        EigenInvCloverOp = EigenCloverOp.inverse();
+        for (int j = 0; j < Ns; j++)
+          for (int k = 0; k < Ns; k++)
+            for (int a = 0; a < DimRep; a++)
+              for (int b = 0; b < DimRep; b++)
+                Qxinv()(j, k)(a, b) = EigenInvCloverOp(a + j * DimRep, b + k * DimRep);
+               pokeLocalSite(Qxinv, CTIv, lcoor);
+      });
+    }
+  }
+
+  static GaugeLinkField Cmunu(std::vector<GaugeLinkField> &U, GaugeLinkField &lambda, int mu, int nu) {
+    return Helpers::Cmunu(U, lambda, mu, nu);
+  }
+
+};
+
+
+//////////////////////////////////
+// Generic Exp Clover
+//////////////////////////////////
+
+template<class Impl>
+class ExpCloverHelpers: public WilsonCloverHelpers<Impl> {
+public:
+
+  INHERIT_IMPL_TYPES(Impl);
+  INHERIT_CLOVER_TYPES(Impl);
+
+  template <typename vtype> using iImplClover = iScalar<iMatrix<iMatrix<vtype, Impl::Dimension>, Ns>>;
+  typedef WilsonCloverHelpers<Impl> Helpers;
+
+  // Can this be avoided?
+  static void IdentityTimesC(const CloverField& in, RealD c) {
+    int DimRep = Impl::Dimension;
+
+    autoView(in_v, in, AcceleratorWrite);
+
+    accelerator_for(ss, in.Grid()->oSites(), 1, {
+      for (int sa=0; sa<Ns; sa++)
+        for (int ca=0; ca<DimRep; ca++)
+          in_v[ss]()(sa,sa)(ca,ca) = c;
+    });
+  }
+
+  static int getNMAX(RealD prec, RealD R) {
+    /* compute stop condition for exponential */
+    int NMAX=1;
+    RealD cond=R*R/2.;
+
+    while (cond*std::exp(R)>prec) {
+      NMAX++;
+      cond*=R/(double)(NMAX+1);
+    }
+    return NMAX;
+  }
+
+  static int getNMAX(Lattice<iImplClover<vComplexD>> &t, RealD R) {return getNMAX(1e-12,R);}
+  static int getNMAX(Lattice<iImplClover<vComplexF>> &t, RealD R) {return getNMAX(1e-6,R);}
+
+  static void Instantiate(CloverField& Clover, CloverField& CloverInv, RealD csw_t, RealD diag_mass) {
+    GridBase* grid = Clover.Grid();
+    CloverField ExpClover(grid);
+
+    int NMAX = getNMAX(Clover, 3.*csw_t/diag_mass);
+
+    Clover *= (1.0/diag_mass);
+
+    // Taylor expansion, slow but generic
+    // Horner scheme: a0 + a1 x + a2 x^2 + .. = a0 + x (a1 + x(...))
+    // qN = cN
+    // qn = cn + qn+1 X
+    std::vector<RealD> cn(NMAX+1);
+    cn[0] = 1.0;
+    for (int i=1; i<=NMAX; i++)
+      cn[i] = cn[i-1] / RealD(i);
+
+    ExpClover = Zero();
+    IdentityTimesC(ExpClover, cn[NMAX]);
+    for (int i=NMAX-1; i>=0; i--)
+      ExpClover = ExpClover * Clover + cn[i];
+
+    // prepare inverse
+    CloverInv = (-1.0)*Clover;
+
+    Clover = ExpClover * diag_mass;
+
+    ExpClover = Zero();
+    IdentityTimesC(ExpClover, cn[NMAX]);
+    for (int i=NMAX-1; i>=0; i--)
+      ExpClover = ExpClover * CloverInv + cn[i];
+
+    CloverInv = ExpClover * (1.0/diag_mass);
+
+  }
+
+  static GaugeLinkField Cmunu(std::vector<GaugeLinkField> &U, GaugeLinkField &lambda, int mu, int nu) {
+    assert(0);
+    return lambda;
+  }
+
+};
+
+
+//////////////////////////////////
+// Compact Standard Clover
+//////////////////////////////////
+
+
+template<class Impl>
+class CompactCloverHelpers: public CompactWilsonCloverHelpers<Impl>,
+                            public WilsonCloverHelpers<Impl> {
+public:
+
+  INHERIT_IMPL_TYPES(Impl);
+  INHERIT_CLOVER_TYPES(Impl);
+  INHERIT_COMPACT_CLOVER_TYPES(Impl);
+
+  typedef WilsonCloverHelpers<Impl> Helpers;
+  typedef CompactWilsonCloverHelpers<Impl> CompactHelpers;
+
+  static void MassTerm(CloverField& Clover, RealD diag_mass) {
+    Clover += diag_mass;
+  }
+
+  static void Exponentiate_Clover(CloverDiagonalField& Diagonal,
+                          CloverTriangleField& Triangle,
+                          RealD csw_t, RealD diag_mass) {
+
+    // Do nothing
+  }
+
+  // TODO: implement Cmunu for better performances with compact layout, but don't do it
+  // here, but rather in WilsonCloverHelpers.h -> CompactWilsonCloverHelpers
+  static GaugeLinkField Cmunu(std::vector<GaugeLinkField> &U, GaugeLinkField &lambda, int mu, int nu) {
+    return Helpers::Cmunu(U, lambda, mu, nu);
+  }
+};
+
+//////////////////////////////////
+// Compact Exp Clover
+//////////////////////////////////
+
+template<class Impl>
+class CompactExpCloverHelpers: public CompactWilsonCloverHelpers<Impl> {
+public:
+
+  INHERIT_IMPL_TYPES(Impl);
+  INHERIT_CLOVER_TYPES(Impl);
+  INHERIT_COMPACT_CLOVER_TYPES(Impl);
+
+  template <typename vtype> using iImplClover = iScalar<iMatrix<iMatrix<vtype, Impl::Dimension>, Ns>>;
+  typedef CompactWilsonCloverHelpers<Impl> CompactHelpers;
+
+  static void MassTerm(CloverField& Clover, RealD diag_mass) {
+    // do nothing!
+    // mass term is multiplied to exp(Clover) below
+  }
+
+  static int getNMAX(RealD prec, RealD R) {
+    /* compute stop condition for exponential */
+    int NMAX=1;
+    RealD cond=R*R/2.;
+
+    while (cond*std::exp(R)>prec) {
+      NMAX++;
+      cond*=R/(double)(NMAX+1);
+    }
+    return NMAX;
+  }
+
+  static int getNMAX(Lattice<iImplCloverDiagonal<vComplexD>> &t, RealD R) {return getNMAX(1e-12,R);}
+  static int getNMAX(Lattice<iImplCloverDiagonal<vComplexF>> &t, RealD R) {return getNMAX(1e-6,R);}
+
+  static void ExponentiateHermitean6by6(const iMatrix<ComplexD,6> &arg, const RealD& alpha, const std::vector<RealD>& cN, const int Niter, iMatrix<ComplexD,6>& dest){
+
+  	  typedef iMatrix<ComplexD,6> mat;
+
+  	  RealD qn[6];
+  	  RealD qnold[6];
+  	  RealD p[5];
+  	  RealD trA2, trA3, trA4;
+
+  	  mat A2, A3, A4, A5;
+  	  A2 = alpha * alpha * arg * arg;
+  	  A3 = alpha * arg * A2;
+  	  A4 = A2 * A2;
+  	  A5 = A2 * A3;
+
+  	  trA2 = toReal( trace(A2) );
+  	  trA3 = toReal( trace(A3) );
+  	  trA4 = toReal( trace(A4));
+
+  	  p[0] = toReal( trace(A3 * A3)) / 6.0 - 0.125 * trA4 * trA2 - trA3 * trA3 / 18.0 + trA2 * trA2 * trA2/ 48.0;
+  	  p[1] = toReal( trace(A5)) / 5.0 - trA3 * trA2 / 6.0;
+  	  p[2] = toReal( trace(A4)) / 4.0 - 0.125 * trA2 * trA2;
+  	  p[3] = trA3 / 3.0;
+  	  p[4] = 0.5 * trA2;
+
+  	  qnold[0] = cN[Niter];
+  	  qnold[1] = 0.0;
+  	  qnold[2] = 0.0;
+  	  qnold[3] = 0.0;
+  	  qnold[4] = 0.0;
+  	  qnold[5] = 0.0;
+
+  	  for(int i = Niter-1; i >= 0; i--)
+  	  {
+  	   qn[0] = p[0] * qnold[5] + cN[i];
+  	   qn[1] = p[1] * qnold[5] + qnold[0];
+  	   qn[2] = p[2] * qnold[5] + qnold[1];
+  	   qn[3] = p[3] * qnold[5] + qnold[2];
+  	   qn[4] = p[4] * qnold[5] + qnold[3];
+  	   qn[5] = qnold[4];
+
+  	   qnold[0] = qn[0];
+  	   qnold[1] = qn[1];
+  	   qnold[2] = qn[2];
+  	   qnold[3] = qn[3];
+  	   qnold[4] = qn[4];
+  	   qnold[5] = qn[5];
+  	  }
+
+  	  mat unit(1.0);
+
+  	  dest = (qn[0] * unit + qn[1] * alpha * arg + qn[2] * A2 + qn[3] * A3 + qn[4] * A4 + qn[5] * A5);
+
+    }
+
+  static void Exponentiate_Clover(CloverDiagonalField& Diagonal, CloverTriangleField& Triangle, RealD csw_t, RealD diag_mass) {
+
+    GridBase* grid = Diagonal.Grid();
+    int NMAX = getNMAX(Diagonal, 3.*csw_t/diag_mass);
+
+    //
+    // Implementation completely in Daniel's layout
+    //
+
+    // Taylor expansion with Cayley-Hamilton recursion
+    // underlying Horner scheme as above
+    std::vector<RealD> cn(NMAX+1);
+    cn[0] = 1.0;
+    for (int i=1; i<=NMAX; i++){
+      cn[i] = cn[i-1] / RealD(i);
+    }
+
+      // Taken over from Daniel's implementation
+      conformable(Diagonal, Triangle);
+
+      long lsites = grid->lSites();
+    {
+      typedef typename SiteCloverDiagonal::scalar_object scalar_object_diagonal;
+      typedef typename SiteCloverTriangle::scalar_object scalar_object_triangle;
+      typedef iMatrix<ComplexD,6> mat;
+
+      autoView(diagonal_v,  Diagonal,  CpuRead);
+      autoView(triangle_v,  Triangle,  CpuRead);
+      autoView(diagonalExp_v, Diagonal, CpuWrite);
+      autoView(triangleExp_v, Triangle, CpuWrite);
+
+      thread_for(site, lsites, { // NOTE: Not on GPU because of (peek/poke)LocalSite
+
+    	  mat srcCloverOpUL(0.0); // upper left block
+    	  mat srcCloverOpLR(0.0); // lower right block
+    	  mat ExpCloverOp;
+
+        scalar_object_diagonal diagonal_tmp     = Zero();
+        scalar_object_diagonal diagonal_exp_tmp = Zero();
+        scalar_object_triangle triangle_tmp     = Zero();
+        scalar_object_triangle triangle_exp_tmp = Zero();
+
+        Coordinate lcoor;
+        grid->LocalIndexToLocalCoor(site, lcoor);
+
+        peekLocalSite(diagonal_tmp, diagonal_v, lcoor);
+        peekLocalSite(triangle_tmp, triangle_v, lcoor);
+
+        int block;
+        block = 0;
+        for(int i = 0; i < 6; i++){
+        	for(int j = 0; j < 6; j++){
+        		if (i == j){
+        			srcCloverOpUL(i,j) = static_cast<ComplexD>(TensorRemove(diagonal_tmp()(block)(i)));
+        		}
+        		else{
+        			srcCloverOpUL(i,j) = static_cast<ComplexD>(TensorRemove(CompactHelpers::triangle_elem(triangle_tmp, block, i, j)));
+        		}
+        	}
+        }
+        block = 1;
+        for(int i = 0; i < 6; i++){
+          	for(int j = 0; j < 6; j++){
+           		if (i == j){
+           			srcCloverOpLR(i,j) = static_cast<ComplexD>(TensorRemove(diagonal_tmp()(block)(i)));
+           		}
+           		else{
+           			srcCloverOpLR(i,j) = static_cast<ComplexD>(TensorRemove(CompactHelpers::triangle_elem(triangle_tmp, block, i, j)));
+           		}
+            }
+        }
+
+        // exp(Clover)
+
+        ExponentiateHermitean6by6(srcCloverOpUL,1.0/diag_mass,cn,NMAX,ExpCloverOp);
+
+        block = 0;
+        for(int i = 0; i < 6; i++){
+        	for(int j = 0; j < 6; j++){
+            	if (i == j){
+            		diagonal_exp_tmp()(block)(i) = ExpCloverOp(i,j);
+            	}
+            	else if(i < j){
+            		triangle_exp_tmp()(block)(CompactHelpers::triangle_index(i, j)) = ExpCloverOp(i,j);
+            	}
+           	}
+        }
+
+        ExponentiateHermitean6by6(srcCloverOpLR,1.0/diag_mass,cn,NMAX,ExpCloverOp);
+
+        block = 1;
+        for(int i = 0; i < 6; i++){
+        	for(int j = 0; j < 6; j++){
+              	if (i == j){
+              		diagonal_exp_tmp()(block)(i) = ExpCloverOp(i,j);
+               	}
+               	else if(i < j){
+               		triangle_exp_tmp()(block)(CompactHelpers::triangle_index(i, j)) = ExpCloverOp(i,j);
+               	}
+            }
+        }
+
+        pokeLocalSite(diagonal_exp_tmp, diagonalExp_v, lcoor);
+        pokeLocalSite(triangle_exp_tmp, triangleExp_v, lcoor);
+      });
+    }
+
+    Diagonal *= diag_mass;
+    Triangle *= diag_mass;
+  }
+
+
+  static GaugeLinkField Cmunu(std::vector<GaugeLinkField> &U, GaugeLinkField &lambda, int mu, int nu) {
+    assert(0);
+    return lambda;
+  }
+
+};
+
+
+NAMESPACE_END(Grid);

Grid/qcd/action/fermion/CompactWilsonCloverFermion.h

@@ -0,0 +1,241 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/qcd/action/fermion/CompactWilsonCloverFermion.h
+
+    Copyright (C) 2020 - 2022
+
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
+    Author: Nils Meyer <nils.meyer@ur.de>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+/*  END LEGAL */
+
+#pragma once
+
+#include <Grid/qcd/action/fermion/WilsonCloverTypes.h>
+#include <Grid/qcd/action/fermion/WilsonCloverHelpers.h>
+#include <Grid/qcd/action/fermion/CloverHelpers.h>
+
+NAMESPACE_BEGIN(Grid);
+
+// see Grid/qcd/action/fermion/WilsonCloverFermion.h for description
+//
+// Modifications done here:
+//
+// Original: clover term = 12x12 matrix per site
+//
+// But: Only two diagonal 6x6 hermitian blocks are non-zero (also true for original, verified by running)
+// Sufficient to store/transfer only the real parts of the diagonal and one triangular part
+// 2 * (6 + 15 * 2) = 72 real or 36 complex words to be stored/transfered
+//
+// Here: Above but diagonal as complex numbers, i.e., need to store/transfer
+// 2 * (6 * 2 + 15 * 2) = 84 real or 42 complex words
+//
+// Words per site and improvement compared to original (combined with the input and output spinors):
+//
+// - Original: 2*12 + 12*12 = 168 words -> 1.00 x less
+// - Minimal:  2*12 + 36    =  60 words -> 2.80 x less
+// - Here:     2*12 + 42    =  66 words -> 2.55 x less
+//
+// These improvements directly translate to wall-clock time
+//
+// Data layout:
+//
+// - diagonal and triangle part as separate lattice fields,
+//   this was faster than as 1 combined field on all tested machines
+// - diagonal: as expected
+// - triangle: store upper right triangle in row major order
+// - graphical:
+//        0  1  2  3  4
+//           5  6  7  8
+//              9 10 11 = upper right triangle indices
+//                12 13
+//                   14
+//     0
+//        1
+//           2
+//              3       = diagonal indices
+//                 4
+//                    5
+//     0
+//     1  5
+//     2  6  9          = lower left triangle indices
+//     3  7 10 12
+//     4  8 11 13 14
+//
+// Impact on total memory consumption:
+// - Original: (2 * 1 + 8 * 1/2) 12x12 matrices = 6 12x12 matrices = 864 complex words per site
+// - Here:     (2 * 1 + 4 * 1/2) diagonal parts = 4 diagonal parts =  24 complex words per site
+//           + (2 * 1 + 4 * 1/2) triangle parts = 4 triangle parts =  60 complex words per site
+//                                                                 =  84 complex words per site
+
+template<class Impl, class CloverHelpers>
+class CompactWilsonCloverFermion : public WilsonFermion<Impl>,
+                                   public WilsonCloverHelpers<Impl>,
+                                   public CompactWilsonCloverHelpers<Impl> {
+  /////////////////////////////////////////////
+  // Sizes
+  /////////////////////////////////////////////
+
+public:
+
+  INHERIT_COMPACT_CLOVER_SIZES(Impl);
+
+  /////////////////////////////////////////////
+  // Type definitions
+  /////////////////////////////////////////////
+
+public:
+
+  INHERIT_IMPL_TYPES(Impl);
+  INHERIT_CLOVER_TYPES(Impl);
+  INHERIT_COMPACT_CLOVER_TYPES(Impl);
+
+  typedef WilsonFermion<Impl>              WilsonBase;
+  typedef WilsonCloverHelpers<Impl>        Helpers;
+  typedef CompactWilsonCloverHelpers<Impl> CompactHelpers;
+
+  /////////////////////////////////////////////
+  // Constructors
+  /////////////////////////////////////////////
+
+public:
+
+  CompactWilsonCloverFermion(GaugeField& _Umu,
+			    GridCartesian& Fgrid,
+			    GridRedBlackCartesian& Hgrid,
+			    const RealD _mass,
+			    const RealD _csw_r = 0.0,
+			    const RealD _csw_t = 0.0,
+			    const RealD _cF = 1.0,
+			    const WilsonAnisotropyCoefficients& clover_anisotropy = WilsonAnisotropyCoefficients(),
+			    const ImplParams& impl_p = ImplParams());
+
+  /////////////////////////////////////////////
+  // Member functions (implementing interface)
+  /////////////////////////////////////////////
+
+public:
+
+  virtual void Instantiatable() {};
+  int          ConstEE()     override { return 0; };
+  int          isTrivialEE() override { return 0; };
+
+  void Dhop(const FermionField& in, FermionField& out, int dag) override;
+
+  void DhopOE(const FermionField& in, FermionField& out, int dag) override;
+
+  void DhopEO(const FermionField& in, FermionField& out, int dag) override;
+
+  void DhopDir(const FermionField& in, FermionField& out, int dir, int disp) override;
+
+  void DhopDirAll(const FermionField& in, std::vector<FermionField>& out) /* override */;
+
+  void M(const FermionField& in, FermionField& out) override;
+
+  void Mdag(const FermionField& in, FermionField& out) override;
+
+  void Meooe(const FermionField& in, FermionField& out) override;
+
+  void MeooeDag(const FermionField& in, FermionField& out) override;
+
+  void Mooee(const FermionField& in, FermionField& out) override;
+
+  void MooeeDag(const FermionField& in, FermionField& out) override;
+
+  void MooeeInv(const FermionField& in, FermionField& out) override;
+
+  void MooeeInvDag(const FermionField& in, FermionField& out) override;
+
+  void Mdir(const FermionField& in, FermionField& out, int dir, int disp) override;
+
+  void MdirAll(const FermionField& in, std::vector<FermionField>& out) override;
+
+  void MDeriv(GaugeField& force, const FermionField& X, const FermionField& Y, int dag) override;
+
+  void MooDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) override;
+
+  void MeeDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) override;
+
+  /////////////////////////////////////////////
+  // Member functions (internals)
+  /////////////////////////////////////////////
+
+  void MooeeInternal(const FermionField&        in,
+                     FermionField&              out,
+                     const CloverDiagonalField& diagonal,
+                     const CloverTriangleField& triangle);
+
+  /////////////////////////////////////////////
+  // Helpers
+  /////////////////////////////////////////////
+
+  void ImportGauge(const GaugeField& _Umu) override;
+
+  /////////////////////////////////////////////
+  // Helpers
+  /////////////////////////////////////////////
+
+private:
+
+  template<class Field>
+  const MaskField* getCorrectMaskField(const Field &in) const {
+    if(in.Grid()->_isCheckerBoarded) {
+      if(in.Checkerboard() == Odd) {
+        return &this->BoundaryMaskOdd;
+      } else {
+        return &this->BoundaryMaskEven;
+      }
+    } else {
+      return &this->BoundaryMask;
+    }
+  }
+
+  template<class Field>
+  void ApplyBoundaryMask(Field& f) {
+    const MaskField* m = getCorrectMaskField(f); assert(m != nullptr);
+    assert(m != nullptr);
+    CompactHelpers::ApplyBoundaryMask(f, *m);
+  }
+
+  /////////////////////////////////////////////
+  // Member Data
+  /////////////////////////////////////////////
+
+public:
+
+  RealD csw_r;
+  RealD csw_t;
+  RealD cF;
+
+  bool open_boundaries;
+
+  CloverDiagonalField Diagonal,    DiagonalEven,    DiagonalOdd;
+  CloverDiagonalField DiagonalInv, DiagonalInvEven, DiagonalInvOdd;
+
+  CloverTriangleField Triangle,    TriangleEven,    TriangleOdd;
+  CloverTriangleField TriangleInv, TriangleInvEven, TriangleInvOdd;
+
+  FermionField Tmp;
+
+  MaskField BoundaryMask, BoundaryMaskEven, BoundaryMaskOdd;
+};
+
+NAMESPACE_END(Grid);

Grid/qcd/action/fermion/Fermion.h

@@ -53,6 +53,7 @@ NAMESPACE_CHECK(Wilson);
 #include <Grid/qcd/action/fermion/WilsonTMFermion.h>       // 4d wilson like
 NAMESPACE_CHECK(WilsonTM);
 #include <Grid/qcd/action/fermion/WilsonCloverFermion.h> // 4d wilson clover fermions
+#include <Grid/qcd/action/fermion/CompactWilsonCloverFermion.h> // 4d compact wilson clover fermions
 NAMESPACE_CHECK(WilsonClover);
 #include <Grid/qcd/action/fermion/WilsonFermion5D.h>     // 5d base used by all 5d overlap types
 NAMESPACE_CHECK(Wilson5D);
@@ -137,21 +138,52 @@ typedef WilsonTMFermion<WilsonImplF> WilsonTMFermionF;
 typedef WilsonTMFermion<WilsonImplD> WilsonTMFermionD;
 
 // Clover fermions
-typedef WilsonCloverFermion<WilsonImplR> WilsonCloverFermionR;
+template <typename WImpl> using WilsonClover = WilsonCloverFermion<WImpl, CloverHelpers<WImpl>>;
-typedef WilsonCloverFermion<WilsonImplF> WilsonCloverFermionF;
+template <typename WImpl> using WilsonExpClover = WilsonCloverFermion<WImpl, ExpCloverHelpers<WImpl>>;
-typedef WilsonCloverFermion<WilsonImplD> WilsonCloverFermionD;
 
-typedef WilsonCloverFermion<WilsonAdjImplR> WilsonCloverAdjFermionR;
+typedef WilsonClover<WilsonImplR> WilsonCloverFermionR;
-typedef WilsonCloverFermion<WilsonAdjImplF> WilsonCloverAdjFermionF;
+typedef WilsonClover<WilsonImplF> WilsonCloverFermionF;
-typedef WilsonCloverFermion<WilsonAdjImplD> WilsonCloverAdjFermionD;
+typedef WilsonClover<WilsonImplD> WilsonCloverFermionD;
 
-typedef WilsonCloverFermion<WilsonTwoIndexSymmetricImplR> WilsonCloverTwoIndexSymmetricFermionR;
+typedef WilsonExpClover<WilsonImplR> WilsonExpCloverFermionR;
-typedef WilsonCloverFermion<WilsonTwoIndexSymmetricImplF> WilsonCloverTwoIndexSymmetricFermionF;
+typedef WilsonExpClover<WilsonImplF> WilsonExpCloverFermionF;
-typedef WilsonCloverFermion<WilsonTwoIndexSymmetricImplD> WilsonCloverTwoIndexSymmetricFermionD;
+typedef WilsonExpClover<WilsonImplD> WilsonExpCloverFermionD;
 
-typedef WilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplR> WilsonCloverTwoIndexAntiSymmetricFermionR;
+typedef WilsonClover<WilsonAdjImplR> WilsonCloverAdjFermionR;
-typedef WilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplF> WilsonCloverTwoIndexAntiSymmetricFermionF;
+typedef WilsonClover<WilsonAdjImplF> WilsonCloverAdjFermionF;
-typedef WilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplD> WilsonCloverTwoIndexAntiSymmetricFermionD;
+typedef WilsonClover<WilsonAdjImplD> WilsonCloverAdjFermionD;
+
+typedef WilsonClover<WilsonTwoIndexSymmetricImplR> WilsonCloverTwoIndexSymmetricFermionR;
+typedef WilsonClover<WilsonTwoIndexSymmetricImplF> WilsonCloverTwoIndexSymmetricFermionF;
+typedef WilsonClover<WilsonTwoIndexSymmetricImplD> WilsonCloverTwoIndexSymmetricFermionD;
+
+typedef WilsonClover<WilsonTwoIndexAntiSymmetricImplR> WilsonCloverTwoIndexAntiSymmetricFermionR;
+typedef WilsonClover<WilsonTwoIndexAntiSymmetricImplF> WilsonCloverTwoIndexAntiSymmetricFermionF;
+typedef WilsonClover<WilsonTwoIndexAntiSymmetricImplD> WilsonCloverTwoIndexAntiSymmetricFermionD;
+
+// Compact Clover fermions
+template <typename WImpl> using CompactWilsonClover = CompactWilsonCloverFermion<WImpl, CompactCloverHelpers<WImpl>>;
+template <typename WImpl> using CompactWilsonExpClover = CompactWilsonCloverFermion<WImpl, CompactExpCloverHelpers<WImpl>>;
+
+typedef CompactWilsonClover<WilsonImplR> CompactWilsonCloverFermionR;
+typedef CompactWilsonClover<WilsonImplF> CompactWilsonCloverFermionF;
+typedef CompactWilsonClover<WilsonImplD> CompactWilsonCloverFermionD;
+
+typedef CompactWilsonExpClover<WilsonImplR> CompactWilsonExpCloverFermionR;
+typedef CompactWilsonExpClover<WilsonImplF> CompactWilsonExpCloverFermionF;
+typedef CompactWilsonExpClover<WilsonImplD> CompactWilsonExpCloverFermionD;
+
+typedef CompactWilsonClover<WilsonAdjImplR> CompactWilsonCloverAdjFermionR;
+typedef CompactWilsonClover<WilsonAdjImplF> CompactWilsonCloverAdjFermionF;
+typedef CompactWilsonClover<WilsonAdjImplD> CompactWilsonCloverAdjFermionD;
+
+typedef CompactWilsonClover<WilsonTwoIndexSymmetricImplR> CompactWilsonCloverTwoIndexSymmetricFermionR;
+typedef CompactWilsonClover<WilsonTwoIndexSymmetricImplF> CompactWilsonCloverTwoIndexSymmetricFermionF;
+typedef CompactWilsonClover<WilsonTwoIndexSymmetricImplD> CompactWilsonCloverTwoIndexSymmetricFermionD;
+
+typedef CompactWilsonClover<WilsonTwoIndexAntiSymmetricImplR> CompactWilsonCloverTwoIndexAntiSymmetricFermionR;
+typedef CompactWilsonClover<WilsonTwoIndexAntiSymmetricImplF> CompactWilsonCloverTwoIndexAntiSymmetricFermionF;
+typedef CompactWilsonClover<WilsonTwoIndexAntiSymmetricImplD> CompactWilsonCloverTwoIndexAntiSymmetricFermionD;
 
 // Domain Wall fermions
 typedef DomainWallFermion<WilsonImplR> DomainWallFermionR;

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/WilsonCloverFermion.h

@@ -4,10 +4,11 @@
 
     Source file: ./lib/qcd/action/fermion/WilsonCloverFermion.h
 
-    Copyright (C) 2017
+    Copyright (C) 2017 - 2022
 
     Author: Guido Cossu <guido.cossu@ed.ac.uk>
     Author: David Preti <>
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
 
     This program is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
@@ -29,7 +30,9 @@
 
 #pragma once
 
-#include <Grid/Grid.h>
+#include <Grid/qcd/action/fermion/WilsonCloverTypes.h>
+#include <Grid/qcd/action/fermion/WilsonCloverHelpers.h>
+#include <Grid/qcd/action/fermion/CloverHelpers.h>
 
 NAMESPACE_BEGIN(Grid);
 
@@ -49,19 +52,16 @@ NAMESPACE_BEGIN(Grid);
 // csw_r = csw_t to recover the isotropic version
 //////////////////////////////////////////////////////////////////
 
-template <class Impl>
+template<class Impl, class CloverHelpers>
-class WilsonCloverFermion : public WilsonFermion<Impl>
+class WilsonCloverFermion : public WilsonFermion<Impl>,
+                            public WilsonCloverHelpers<Impl>
 {
 public:
-  // Types definitions
   INHERIT_IMPL_TYPES(Impl);
-  template <typename vtype>
+  INHERIT_CLOVER_TYPES(Impl);
-  using iImplClover = iScalar<iMatrix<iMatrix<vtype, Impl::Dimension>, Ns>>;
-  typedef iImplClover<Simd> SiteCloverType;
-  typedef Lattice<SiteCloverType> CloverFieldType;
 
-public:
   typedef WilsonFermion<Impl>       WilsonBase;
+  typedef WilsonCloverHelpers<Impl> Helpers;
 
   virtual int    ConstEE(void)     { return 0; };
   virtual void Instantiatable(void){};
@@ -72,42 +72,7 @@ public:
                       const RealD _csw_r = 0.0,
                       const RealD _csw_t = 0.0,
                       const WilsonAnisotropyCoefficients &clover_anisotropy = WilsonAnisotropyCoefficients(),
-                      const ImplParams &impl_p = ImplParams()) : WilsonFermion<Impl>(_Umu,
+                      const ImplParams &impl_p = ImplParams());
-                                                                                     Fgrid,
-                                                                                     Hgrid,
-                                                                                     _mass, impl_p, clover_anisotropy),
-                                                                 CloverTerm(&Fgrid),
-                                                                 CloverTermInv(&Fgrid),
-                                                                 CloverTermEven(&Hgrid),
-                                                                 CloverTermOdd(&Hgrid),
-                                                                 CloverTermInvEven(&Hgrid),
-                                                                 CloverTermInvOdd(&Hgrid),
-                                                                 CloverTermDagEven(&Hgrid),
-                                                                 CloverTermDagOdd(&Hgrid),
-                                                                 CloverTermInvDagEven(&Hgrid),
-                                                                 CloverTermInvDagOdd(&Hgrid)
-  {
-    assert(Nd == 4); // require 4 dimensions
-
-    if (clover_anisotropy.isAnisotropic)
-    {
-      csw_r = _csw_r * 0.5 / clover_anisotropy.xi_0;
-      diag_mass = _mass + 1.0 + (Nd - 1) * (clover_anisotropy.nu / clover_anisotropy.xi_0);
-    }
-    else
-    {
-      csw_r = _csw_r * 0.5;
-      diag_mass = 4.0 + _mass;
-    }
-    csw_t = _csw_t * 0.5;
-
-    if (csw_r == 0)
-      std::cout << GridLogWarning << "Initializing WilsonCloverFermion with csw_r = 0" << std::endl;
-    if (csw_t == 0)
-      std::cout << GridLogWarning << "Initializing WilsonCloverFermion with csw_t = 0" << std::endl;
-
-    ImportGauge(_Umu);
-  }
 
   virtual void M(const FermionField &in, FermionField &out);
   virtual void Mdag(const FermionField &in, FermionField &out);
@@ -124,250 +89,21 @@ public:
   void ImportGauge(const GaugeField &_Umu);
 
   // Derivative parts unpreconditioned pseudofermions
-  void MDeriv(GaugeField &force, const FermionField &X, const FermionField &Y, int dag)
+  void MDeriv(GaugeField &force, const FermionField &X, const FermionField &Y, int dag);
-  {
-    conformable(X.Grid(), Y.Grid());
-    conformable(X.Grid(), force.Grid());
-    GaugeLinkField force_mu(force.Grid()), lambda(force.Grid());
-    GaugeField clover_force(force.Grid());
-    PropagatorField Lambda(force.Grid());
 
-    // Guido: Here we are hitting some performance issues:
+public:
-    // need to extract the components of the DoubledGaugeField
-    // for each call
-    // Possible solution
-    // Create a vector object to store them? (cons: wasting space)
-    std::vector<GaugeLinkField> U(Nd, this->Umu.Grid());
-
-    Impl::extractLinkField(U, this->Umu);
-
-    force = Zero();
-    // Derivative of the Wilson hopping term
-    this->DhopDeriv(force, X, Y, dag);
-
-    ///////////////////////////////////////////////////////////
-    // Clover term derivative
-    ///////////////////////////////////////////////////////////
-    Impl::outerProductImpl(Lambda, X, Y);
-    //std::cout << "Lambda:" << Lambda << std::endl;
-
-    Gamma::Algebra sigma[] = {
-        Gamma::Algebra::SigmaXY,
-        Gamma::Algebra::SigmaXZ,
-        Gamma::Algebra::SigmaXT,
-        Gamma::Algebra::MinusSigmaXY,
-        Gamma::Algebra::SigmaYZ,
-        Gamma::Algebra::SigmaYT,
-        Gamma::Algebra::MinusSigmaXZ,
-        Gamma::Algebra::MinusSigmaYZ,
-        Gamma::Algebra::SigmaZT,
-        Gamma::Algebra::MinusSigmaXT,
-        Gamma::Algebra::MinusSigmaYT,
-        Gamma::Algebra::MinusSigmaZT};
-
-    /*
-      sigma_{\mu \nu}=
-      | 0         sigma[0]  sigma[1]  sigma[2] |
-      | sigma[3]    0       sigma[4]  sigma[5] |
-      | sigma[6]  sigma[7]     0      sigma[8] |
-      | sigma[9]  sigma[10] sigma[11]   0      |
-    */
-
-    int count = 0;
-    clover_force = Zero();
-    for (int mu = 0; mu < 4; mu++)
-    {
-      force_mu = Zero();
-      for (int nu = 0; nu < 4; nu++)
-      {
-        if (mu == nu)
-        continue;
-        
-        RealD factor;
-        if (nu == 4 || mu == 4)
-        {
-          factor = 2.0 * csw_t;
-        }
-        else
-        {
-          factor = 2.0 * csw_r;
-        }
-        PropagatorField Slambda = Gamma(sigma[count]) * Lambda; // sigma checked
-        Impl::TraceSpinImpl(lambda, Slambda);                   // traceSpin ok
-        force_mu -= factor*Cmunu(U, lambda, mu, nu);                   // checked
-        count++;
-      }
-
-      pokeLorentz(clover_force, U[mu] * force_mu, mu);
-    }
-    //clover_force *= csw;
-    force += clover_force;
-  }
-
-  // Computing C_{\mu \nu}(x) as in Eq.(B.39) in Zbigniew Sroczynski's PhD thesis
-  GaugeLinkField Cmunu(std::vector<GaugeLinkField> &U, GaugeLinkField &lambda, int mu, int nu)
-  {
-    conformable(lambda.Grid(), U[0].Grid());
-    GaugeLinkField out(lambda.Grid()), tmp(lambda.Grid());
-    // insertion in upper staple
-    // please check redundancy of shift operations
-
-    // C1+
-    tmp = lambda * U[nu];
-    out = Impl::ShiftStaple(Impl::CovShiftForward(tmp, nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu);
-
-    // C2+
-    tmp = U[mu] * Impl::ShiftStaple(adj(lambda), mu);
-    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(tmp, mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu);
-
-    // C3+
-    tmp = U[nu] * Impl::ShiftStaple(adj(lambda), nu);
-    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(tmp, nu))), mu);
-
-    // C4+
-    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu) * lambda;
-
-    // insertion in lower staple
-    // C1-
-    out -= Impl::ShiftStaple(lambda, mu) * Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu);
-
-    // C2-
-    tmp = adj(lambda) * U[nu];
-    out -= Impl::ShiftStaple(Impl::CovShiftBackward(tmp, nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu);
-
-    // C3-
-    tmp = lambda * U[nu];
-    out -= Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, tmp)), mu);
-
-    // C4-
-    out -= Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu) * lambda;
-
-    return out;
-  }
-
-protected:
   // here fixing the 4 dimensions, make it more general?
 
   RealD csw_r;                                               // Clover coefficient - spatial
   RealD csw_t;                                               // Clover coefficient - temporal
   RealD diag_mass;                                           // Mass term
-  CloverFieldType CloverTerm, CloverTermInv;                 // Clover term
+  CloverField CloverTerm, CloverTermInv;                     // Clover term
-  CloverFieldType CloverTermEven, CloverTermOdd;             // Clover term EO
+  CloverField CloverTermEven, CloverTermOdd;                 // Clover term EO
-  CloverFieldType CloverTermInvEven, CloverTermInvOdd;       // Clover term Inv EO
+  CloverField CloverTermInvEven, CloverTermInvOdd;           // Clover term Inv EO
-  CloverFieldType CloverTermDagEven, CloverTermDagOdd;       // Clover term Dag EO
+  CloverField CloverTermDagEven, CloverTermDagOdd;           // Clover term Dag EO
-  CloverFieldType CloverTermInvDagEven, CloverTermInvDagOdd; // Clover term Inv Dag EO
+  CloverField CloverTermInvDagEven, CloverTermInvDagOdd;     // Clover term Inv Dag EO
-
- public:
-  // eventually these can be compressed into 6x6 blocks instead of the 12x12
-  // using the DeGrand-Rossi basis for the gamma matrices
-  CloverFieldType fillCloverYZ(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-    T = Zero();
-    autoView(T_v,T,AcceleratorWrite);
-    autoView(F_v,F,AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 1) = timesMinusI(F_v[i]()());
-      T_v[i]()(1, 0) = timesMinusI(F_v[i]()());
-      T_v[i]()(2, 3) = timesMinusI(F_v[i]()());
-      T_v[i]()(3, 2) = timesMinusI(F_v[i]()());
-    });
-
-    return T;
-  }
-
-  CloverFieldType fillCloverXZ(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-    T = Zero();
-    
-    autoView(T_v, T,AcceleratorWrite);
-    autoView(F_v, F,AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 1) = -F_v[i]()();
-      T_v[i]()(1, 0) = F_v[i]()();
-      T_v[i]()(2, 3) = -F_v[i]()();
-      T_v[i]()(3, 2) = F_v[i]()();
-    });
-
-    return T;
-  }
-
-  CloverFieldType fillCloverXY(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-    T = Zero();
-
-    autoView(T_v,T,AcceleratorWrite);
-    autoView(F_v,F,AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 0) = timesMinusI(F_v[i]()());
-      T_v[i]()(1, 1) = timesI(F_v[i]()());
-      T_v[i]()(2, 2) = timesMinusI(F_v[i]()());
-      T_v[i]()(3, 3) = timesI(F_v[i]()());
-    });
-
-    return T;
-  }
-
-  CloverFieldType fillCloverXT(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-    T = Zero();
-
-    autoView( T_v , T, AcceleratorWrite);
-    autoView( F_v , F, AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 1) = timesI(F_v[i]()());
-      T_v[i]()(1, 0) = timesI(F_v[i]()());
-      T_v[i]()(2, 3) = timesMinusI(F_v[i]()());
-      T_v[i]()(3, 2) = timesMinusI(F_v[i]()());
-    });
-
-    return T;
-  }
-
-  CloverFieldType fillCloverYT(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-    T = Zero();
-    
-    autoView( T_v ,T,AcceleratorWrite);
-    autoView( F_v ,F,AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 1) = -(F_v[i]()());
-      T_v[i]()(1, 0) = (F_v[i]()());
-      T_v[i]()(2, 3) = (F_v[i]()());
-      T_v[i]()(3, 2) = -(F_v[i]()());
-    });
-
-    return T;
-  }
-
-  CloverFieldType fillCloverZT(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-
-    T = Zero();
-
-    autoView( T_v , T,AcceleratorWrite);
-    autoView( F_v , F,AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 0) = timesI(F_v[i]()());
-      T_v[i]()(1, 1) = timesMinusI(F_v[i]()());
-      T_v[i]()(2, 2) = timesMinusI(F_v[i]()());
-      T_v[i]()(3, 3) = timesI(F_v[i]()());
-    });
-
-    return T;
-  }
 };
+
 NAMESPACE_END(Grid);
 
 

Grid/qcd/action/fermion/WilsonCloverHelpers.h

@@ -0,0 +1,763 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/qcd/action/fermion/WilsonCloverHelpers.h
+
+    Copyright (C) 2021 - 2022
+
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#pragma once
+
+// Helper routines that implement common clover functionality
+
+NAMESPACE_BEGIN(Grid);
+
+template<class Impl> class WilsonCloverHelpers {
+public:
+
+  INHERIT_IMPL_TYPES(Impl);
+  INHERIT_CLOVER_TYPES(Impl);
+
+  // Computing C_{\mu \nu}(x) as in Eq.(B.39) in Zbigniew Sroczynski's PhD thesis
+  static GaugeLinkField Cmunu(std::vector<GaugeLinkField> &U, GaugeLinkField &lambda, int mu, int nu)
+  {
+    conformable(lambda.Grid(), U[0].Grid());
+    GaugeLinkField out(lambda.Grid()), tmp(lambda.Grid());
+    // insertion in upper staple
+    // please check redundancy of shift operations
+
+    // C1+
+    tmp = lambda * U[nu];
+    out = Impl::ShiftStaple(Impl::CovShiftForward(tmp, nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu);
+
+    // C2+
+    tmp = U[mu] * Impl::ShiftStaple(adj(lambda), mu);
+    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(tmp, mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu);
+
+    // C3+
+    tmp = U[nu] * Impl::ShiftStaple(adj(lambda), nu);
+    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(tmp, nu))), mu);
+
+    // C4+
+    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu) * lambda;
+
+    // insertion in lower staple
+    // C1-
+    out -= Impl::ShiftStaple(lambda, mu) * Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu);
+
+    // C2-
+    tmp = adj(lambda) * U[nu];
+    out -= Impl::ShiftStaple(Impl::CovShiftBackward(tmp, nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu);
+
+    // C3-
+    tmp = lambda * U[nu];
+    out -= Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, tmp)), mu);
+
+    // C4-
+    out -= Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu) * lambda;
+
+    return out;
+  }
+
+  static CloverField fillCloverYZ(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+    T = Zero();
+    autoView(T_v,T,AcceleratorWrite);
+    autoView(F_v,F,AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 1), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(1, 0), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(2, 3), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(3, 2), coalescedRead(timesMinusI(F_v[i]()())));
+    });
+
+    return T;
+  }
+
+  static CloverField fillCloverXZ(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+    T = Zero();
+    
+    autoView(T_v, T,AcceleratorWrite);
+    autoView(F_v, F,AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 1), coalescedRead(-F_v[i]()()));
+      coalescedWrite(T_v[i]()(1, 0), coalescedRead(F_v[i]()()));
+      coalescedWrite(T_v[i]()(2, 3), coalescedRead(-F_v[i]()()));
+      coalescedWrite(T_v[i]()(3, 2), coalescedRead(F_v[i]()()));
+    });
+
+    return T;
+  }
+
+  static CloverField fillCloverXY(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+    T = Zero();
+
+    autoView(T_v,T,AcceleratorWrite);
+    autoView(F_v,F,AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 0), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(1, 1), coalescedRead(timesI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(2, 2), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(3, 3), coalescedRead(timesI(F_v[i]()())));
+    });
+
+    return T;
+  }
+
+  static CloverField fillCloverXT(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+    T = Zero();
+
+    autoView( T_v , T, AcceleratorWrite);
+    autoView( F_v , F, AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 1), coalescedRead(timesI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(1, 0), coalescedRead(timesI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(2, 3), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(3, 2), coalescedRead(timesMinusI(F_v[i]()())));
+    });
+
+    return T;
+  }
+
+  static CloverField fillCloverYT(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+    T = Zero();
+    
+    autoView( T_v ,T,AcceleratorWrite);
+    autoView( F_v ,F,AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 1), coalescedRead(-(F_v[i]()())));
+      coalescedWrite(T_v[i]()(1, 0), coalescedRead((F_v[i]()())));
+      coalescedWrite(T_v[i]()(2, 3), coalescedRead((F_v[i]()())));
+      coalescedWrite(T_v[i]()(3, 2), coalescedRead(-(F_v[i]()())));
+    });
+
+    return T;
+  }
+
+  static CloverField fillCloverZT(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+
+    T = Zero();
+
+    autoView( T_v , T,AcceleratorWrite);
+    autoView( F_v , F,AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 0), coalescedRead(timesI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(1, 1), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(2, 2), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(3, 3), coalescedRead(timesI(F_v[i]()())));
+    });
+
+    return T;
+  }
+
+  template<class _Spinor>
+  static accelerator_inline void multClover(_Spinor& phi, const SiteClover& C, const _Spinor& chi) {
+    auto CC = coalescedRead(C);
+    mult(&phi, &CC, &chi);
+  }
+
+  template<class _SpinorField>
+  inline void multCloverField(_SpinorField& out, const CloverField& C, const _SpinorField& phi) {
+    const int Nsimd = SiteSpinor::Nsimd();
+    autoView(out_v, out, AcceleratorWrite);
+    autoView(phi_v, phi, AcceleratorRead);
+    autoView(C_v,   C,   AcceleratorRead);
+    typedef decltype(coalescedRead(out_v[0])) calcSpinor;
+    accelerator_for(sss,out.Grid()->oSites(),Nsimd,{
+      calcSpinor tmp;
+      multClover(tmp,C_v[sss],phi_v(sss));
+      coalescedWrite(out_v[sss],tmp);
+    });
+  }
+};
+
+
+////////////////////////////////////////////////////////
+
+template<class Impl> class CompactWilsonCloverHelpers {
+public:
+
+  INHERIT_COMPACT_CLOVER_SIZES(Impl);
+
+  INHERIT_IMPL_TYPES(Impl);
+  INHERIT_CLOVER_TYPES(Impl);
+  INHERIT_COMPACT_CLOVER_TYPES(Impl);
+
+  #if 0
+  static accelerator_inline typename SiteCloverTriangle::vector_type triangle_elem(const SiteCloverTriangle& triangle, int block, int i, int j) {
+    assert(i != j);
+    if(i < j) {
+      return triangle()(block)(triangle_index(i, j));
+    } else { // i > j
+      return conjugate(triangle()(block)(triangle_index(i, j)));
+    }
+  }
+  #else
+  template<typename vobj>
+  static accelerator_inline vobj triangle_elem(const iImplCloverTriangle<vobj>& triangle, int block, int i, int j) {
+    assert(i != j);
+    if(i < j) {
+      return triangle()(block)(triangle_index(i, j));
+    } else { // i > j
+      return conjugate(triangle()(block)(triangle_index(i, j)));
+    }
+  }
+  #endif
+
+  static accelerator_inline int triangle_index(int i, int j) {
+    if(i == j)
+      return 0;
+    else if(i < j)
+      return Nred * (Nred - 1) / 2 - (Nred - i) * (Nred - i - 1) / 2 + j - i - 1;
+    else // i > j
+      return Nred * (Nred - 1) / 2 - (Nred - j) * (Nred - j - 1) / 2 + i - j - 1;
+  }
+
+  static void MooeeKernel_gpu(int                        Nsite,
+                              int                        Ls,
+                              const FermionField&        in,
+                              FermionField&              out,
+                              const CloverDiagonalField& diagonal,
+                              const CloverTriangleField& triangle) {
+    autoView(diagonal_v, diagonal, AcceleratorRead);
+    autoView(triangle_v, triangle, AcceleratorRead);
+    autoView(in_v,       in,       AcceleratorRead);
+    autoView(out_v,      out,      AcceleratorWrite);
+
+    typedef decltype(coalescedRead(out_v[0])) CalcSpinor;
+
+    const uint64_t NN = Nsite * Ls;
+
+    accelerator_for(ss, NN, Simd::Nsimd(), {
+      int sF = ss;
+      int sU = ss/Ls;
+      CalcSpinor res;
+      CalcSpinor in_t = in_v(sF);
+      auto diagonal_t = diagonal_v(sU);
+      auto triangle_t = triangle_v(sU);
+      for(int block=0; block<Nhs; block++) {
+        int s_start = block*Nhs;
+        for(int i=0; i<Nred; i++) {
+          int si = s_start + i/Nc, ci = i%Nc;
+          res()(si)(ci) = diagonal_t()(block)(i) * in_t()(si)(ci);
+          for(int j=0; j<Nred; j++) {
+            if (j == i) continue;
+            int sj = s_start + j/Nc, cj = j%Nc;
+            res()(si)(ci) = res()(si)(ci) + triangle_elem(triangle_t, block, i, j) * in_t()(sj)(cj);
+          };
+        };
+      };
+      coalescedWrite(out_v[sF], res);
+    });
+  }
+
+  static void MooeeKernel_cpu(int                        Nsite,
+                              int                        Ls,
+                              const FermionField&        in,
+                              FermionField&              out,
+                              const CloverDiagonalField& diagonal,
+                              const CloverTriangleField& triangle) {
+    autoView(diagonal_v, diagonal, CpuRead);
+    autoView(triangle_v, triangle, CpuRead);
+    autoView(in_v,       in,       CpuRead);
+    autoView(out_v,      out,      CpuWrite);
+
+    typedef SiteSpinor CalcSpinor;
+
+#if defined(A64FX) || defined(A64FXFIXEDSIZE)
+#define PREFETCH_CLOVER(BASE) {                                     \
+    uint64_t base;                                                  \
+    int pf_dist_L1 = 1;                                             \
+    int pf_dist_L2 = -5; /* -> penalty -> disable */                \
+                                                                    \
+    if ((pf_dist_L1 >= 0) && (sU + pf_dist_L1 < Nsite)) {           \
+      base = (uint64_t)&diag_t()(pf_dist_L1+BASE)(0);               \
+      svprfd(svptrue_b64(), (int64_t*)(base +    0), SV_PLDL1STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  256), SV_PLDL1STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  512), SV_PLDL1STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  768), SV_PLDL1STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base + 1024), SV_PLDL1STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base + 1280), SV_PLDL1STRM); \
+    }                                                               \
+                                                                    \
+    if ((pf_dist_L2 >= 0) && (sU + pf_dist_L2 < Nsite)) {           \
+      base = (uint64_t)&diag_t()(pf_dist_L2+BASE)(0);               \
+      svprfd(svptrue_b64(), (int64_t*)(base +    0), SV_PLDL2STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  256), SV_PLDL2STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  512), SV_PLDL2STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  768), SV_PLDL2STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base + 1024), SV_PLDL2STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base + 1280), SV_PLDL2STRM); \
+    }                                                               \
+  }
+// TODO: Implement/generalize this for other architectures
+// I played around a bit on KNL (see below) but didn't bring anything
+// #elif defined(AVX512)
+// #define PREFETCH_CLOVER(BASE) {                              \
+//     uint64_t base;                                           \
+//     int pf_dist_L1 = 1;                                      \
+//     int pf_dist_L2 = +4;                                     \
+//                                                              \
+//     if ((pf_dist_L1 >= 0) && (sU + pf_dist_L1 < Nsite)) {    \
+//       base = (uint64_t)&diag_t()(pf_dist_L1+BASE)(0);        \
+//       _mm_prefetch((const char*)(base +    0), _MM_HINT_T0); \
+//       _mm_prefetch((const char*)(base +   64), _MM_HINT_T0); \
+//       _mm_prefetch((const char*)(base +  128), _MM_HINT_T0); \
+//       _mm_prefetch((const char*)(base +  192), _MM_HINT_T0); \
+//       _mm_prefetch((const char*)(base +  256), _MM_HINT_T0); \
+//       _mm_prefetch((const char*)(base +  320), _MM_HINT_T0); \
+//     }                                                        \
+//                                                              \
+//     if ((pf_dist_L2 >= 0) && (sU + pf_dist_L2 < Nsite)) {    \
+//       base = (uint64_t)&diag_t()(pf_dist_L2+BASE)(0);        \
+//       _mm_prefetch((const char*)(base +    0), _MM_HINT_T1); \
+//       _mm_prefetch((const char*)(base +   64), _MM_HINT_T1); \
+//       _mm_prefetch((const char*)(base +  128), _MM_HINT_T1); \
+//       _mm_prefetch((const char*)(base +  192), _MM_HINT_T1); \
+//       _mm_prefetch((const char*)(base +  256), _MM_HINT_T1); \
+//       _mm_prefetch((const char*)(base +  320), _MM_HINT_T1); \
+//     }                                                        \
+//   }
+#else
+#define PREFETCH_CLOVER(BASE)
+#endif
+
+    const uint64_t NN = Nsite * Ls;
+
+    thread_for(ss, NN, {
+      int sF = ss;
+      int sU = ss/Ls;
+      CalcSpinor res;
+      CalcSpinor in_t = in_v[sF];
+      auto diag_t     = diagonal_v[sU]; // "diag" instead of "diagonal" here to make code below easier to read
+      auto triangle_t = triangle_v[sU];
+
+      // upper half
+      PREFETCH_CLOVER(0);
+
+      auto in_cc_0_0 = conjugate(in_t()(0)(0)); // Nils: reduces number
+      auto in_cc_0_1 = conjugate(in_t()(0)(1)); // of conjugates from
+      auto in_cc_0_2 = conjugate(in_t()(0)(2)); // 30 to 20
+      auto in_cc_1_0 = conjugate(in_t()(1)(0));
+      auto in_cc_1_1 = conjugate(in_t()(1)(1));
+
+      res()(0)(0) =               diag_t()(0)( 0) * in_t()(0)(0)
+                  +           triangle_t()(0)( 0) * in_t()(0)(1)
+                  +           triangle_t()(0)( 1) * in_t()(0)(2)
+                  +           triangle_t()(0)( 2) * in_t()(1)(0)
+                  +           triangle_t()(0)( 3) * in_t()(1)(1)
+                  +           triangle_t()(0)( 4) * in_t()(1)(2);
+
+      res()(0)(1) =           triangle_t()(0)( 0) * in_cc_0_0;
+      res()(0)(1) =               diag_t()(0)( 1) * in_t()(0)(1)
+                  +           triangle_t()(0)( 5) * in_t()(0)(2)
+                  +           triangle_t()(0)( 6) * in_t()(1)(0)
+                  +           triangle_t()(0)( 7) * in_t()(1)(1)
+                  +           triangle_t()(0)( 8) * in_t()(1)(2)
+                  + conjugate(       res()(0)( 1));
+
+      res()(0)(2) =           triangle_t()(0)( 1) * in_cc_0_0
+                  +           triangle_t()(0)( 5) * in_cc_0_1;
+      res()(0)(2) =               diag_t()(0)( 2) * in_t()(0)(2)
+                  +           triangle_t()(0)( 9) * in_t()(1)(0)
+                  +           triangle_t()(0)(10) * in_t()(1)(1)
+                  +           triangle_t()(0)(11) * in_t()(1)(2)
+                  + conjugate(       res()(0)( 2));
+
+      res()(1)(0) =           triangle_t()(0)( 2) * in_cc_0_0
+                  +           triangle_t()(0)( 6) * in_cc_0_1
+                  +           triangle_t()(0)( 9) * in_cc_0_2;
+      res()(1)(0) =               diag_t()(0)( 3) * in_t()(1)(0)
+                  +           triangle_t()(0)(12) * in_t()(1)(1)
+                  +           triangle_t()(0)(13) * in_t()(1)(2)
+                  + conjugate(       res()(1)( 0));
+
+      res()(1)(1) =           triangle_t()(0)( 3) * in_cc_0_0
+                  +           triangle_t()(0)( 7) * in_cc_0_1
+                  +           triangle_t()(0)(10) * in_cc_0_2
+                  +           triangle_t()(0)(12) * in_cc_1_0;
+      res()(1)(1) =               diag_t()(0)( 4) * in_t()(1)(1)
+                  +           triangle_t()(0)(14) * in_t()(1)(2)
+                  + conjugate(       res()(1)( 1));
+
+      res()(1)(2) =           triangle_t()(0)( 4) * in_cc_0_0
+                  +           triangle_t()(0)( 8) * in_cc_0_1
+                  +           triangle_t()(0)(11) * in_cc_0_2
+                  +           triangle_t()(0)(13) * in_cc_1_0
+                  +           triangle_t()(0)(14) * in_cc_1_1;
+      res()(1)(2) =               diag_t()(0)( 5) * in_t()(1)(2)
+                  + conjugate(       res()(1)( 2));
+
+      vstream(out_v[sF]()(0)(0), res()(0)(0));
+      vstream(out_v[sF]()(0)(1), res()(0)(1));
+      vstream(out_v[sF]()(0)(2), res()(0)(2));
+      vstream(out_v[sF]()(1)(0), res()(1)(0));
+      vstream(out_v[sF]()(1)(1), res()(1)(1));
+      vstream(out_v[sF]()(1)(2), res()(1)(2));
+
+      // lower half
+      PREFETCH_CLOVER(1);
+
+      auto in_cc_2_0 = conjugate(in_t()(2)(0));
+      auto in_cc_2_1 = conjugate(in_t()(2)(1));
+      auto in_cc_2_2 = conjugate(in_t()(2)(2));
+      auto in_cc_3_0 = conjugate(in_t()(3)(0));
+      auto in_cc_3_1 = conjugate(in_t()(3)(1));
+
+      res()(2)(0) =               diag_t()(1)( 0) * in_t()(2)(0)
+                  +           triangle_t()(1)( 0) * in_t()(2)(1)
+                  +           triangle_t()(1)( 1) * in_t()(2)(2)
+                  +           triangle_t()(1)( 2) * in_t()(3)(0)
+                  +           triangle_t()(1)( 3) * in_t()(3)(1)
+                  +           triangle_t()(1)( 4) * in_t()(3)(2);
+
+      res()(2)(1) =           triangle_t()(1)( 0) * in_cc_2_0;
+      res()(2)(1) =               diag_t()(1)( 1) * in_t()(2)(1)
+                  +           triangle_t()(1)( 5) * in_t()(2)(2)
+                  +           triangle_t()(1)( 6) * in_t()(3)(0)
+                  +           triangle_t()(1)( 7) * in_t()(3)(1)
+                  +           triangle_t()(1)( 8) * in_t()(3)(2)
+                  + conjugate(       res()(2)( 1));
+
+      res()(2)(2) =           triangle_t()(1)( 1) * in_cc_2_0
+                  +           triangle_t()(1)( 5) * in_cc_2_1;
+      res()(2)(2) =               diag_t()(1)( 2) * in_t()(2)(2)
+                  +           triangle_t()(1)( 9) * in_t()(3)(0)
+                  +           triangle_t()(1)(10) * in_t()(3)(1)
+                  +           triangle_t()(1)(11) * in_t()(3)(2)
+                  + conjugate(       res()(2)( 2));
+
+      res()(3)(0) =           triangle_t()(1)( 2) * in_cc_2_0
+                  +           triangle_t()(1)( 6) * in_cc_2_1
+                  +           triangle_t()(1)( 9) * in_cc_2_2;
+      res()(3)(0) =               diag_t()(1)( 3) * in_t()(3)(0)
+                  +           triangle_t()(1)(12) * in_t()(3)(1)
+                  +           triangle_t()(1)(13) * in_t()(3)(2)
+                  + conjugate(       res()(3)( 0));
+
+      res()(3)(1) =           triangle_t()(1)( 3) * in_cc_2_0
+                  +           triangle_t()(1)( 7) * in_cc_2_1
+                  +           triangle_t()(1)(10) * in_cc_2_2
+                  +           triangle_t()(1)(12) * in_cc_3_0;
+      res()(3)(1) =               diag_t()(1)( 4) * in_t()(3)(1)
+                  +           triangle_t()(1)(14) * in_t()(3)(2)
+                  + conjugate(       res()(3)( 1));
+
+      res()(3)(2) =           triangle_t()(1)( 4) * in_cc_2_0
+                  +           triangle_t()(1)( 8) * in_cc_2_1
+                  +           triangle_t()(1)(11) * in_cc_2_2
+                  +           triangle_t()(1)(13) * in_cc_3_0
+                  +           triangle_t()(1)(14) * in_cc_3_1;
+      res()(3)(2) =               diag_t()(1)( 5) * in_t()(3)(2)
+                  + conjugate(       res()(3)( 2));
+
+      vstream(out_v[sF]()(2)(0), res()(2)(0));
+      vstream(out_v[sF]()(2)(1), res()(2)(1));
+      vstream(out_v[sF]()(2)(2), res()(2)(2));
+      vstream(out_v[sF]()(3)(0), res()(3)(0));
+      vstream(out_v[sF]()(3)(1), res()(3)(1));
+      vstream(out_v[sF]()(3)(2), res()(3)(2));
+    });
+  }
+
+  static void MooeeKernel(int                        Nsite,
+                          int                        Ls,
+                          const FermionField&        in,
+                          FermionField&              out,
+                          const CloverDiagonalField& diagonal,
+                          const CloverTriangleField& triangle) {
+#if defined(GRID_CUDA) || defined(GRID_HIP)
+    MooeeKernel_gpu(Nsite, Ls, in, out, diagonal, triangle);
+#else
+    MooeeKernel_cpu(Nsite, Ls, in, out, diagonal, triangle);
+#endif
+  }
+
+  static void Invert(const CloverDiagonalField& diagonal,
+                     const CloverTriangleField& triangle,
+                     CloverDiagonalField&       diagonalInv,
+                     CloverTriangleField&       triangleInv) {
+    conformable(diagonal, diagonalInv);
+    conformable(triangle, triangleInv);
+    conformable(diagonal, triangle);
+
+    diagonalInv.Checkerboard() = diagonal.Checkerboard();
+    triangleInv.Checkerboard() = triangle.Checkerboard();
+
+    GridBase* grid = diagonal.Grid();
+
+    long lsites = grid->lSites();
+
+    typedef typename SiteCloverDiagonal::scalar_object scalar_object_diagonal;
+    typedef typename SiteCloverTriangle::scalar_object scalar_object_triangle;
+
+    autoView(diagonal_v,  diagonal,  CpuRead);
+    autoView(triangle_v,  triangle,  CpuRead);
+    autoView(diagonalInv_v, diagonalInv, CpuWrite);
+    autoView(triangleInv_v, triangleInv, CpuWrite);
+
+    thread_for(site, lsites, { // NOTE: Not on GPU because of Eigen & (peek/poke)LocalSite
+      Eigen::MatrixXcd clover_inv_eigen = Eigen::MatrixXcd::Zero(Ns*Nc, Ns*Nc);
+      Eigen::MatrixXcd clover_eigen = Eigen::MatrixXcd::Zero(Ns*Nc, Ns*Nc);
+
+      scalar_object_diagonal diagonal_tmp     = Zero();
+      scalar_object_diagonal diagonal_inv_tmp = Zero();
+      scalar_object_triangle triangle_tmp     = Zero();
+      scalar_object_triangle triangle_inv_tmp = Zero();
+
+      Coordinate lcoor;
+      grid->LocalIndexToLocalCoor(site, lcoor);
+
+      peekLocalSite(diagonal_tmp, diagonal_v, lcoor);
+      peekLocalSite(triangle_tmp, triangle_v, lcoor);
+
+      // TODO: can we save time here by inverting the two 6x6 hermitian matrices separately?
+      for (long s_row=0;s_row<Ns;s_row++) {
+        for (long s_col=0;s_col<Ns;s_col++) {
+          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
+          int block       = s_row / Nhs;
+          int s_row_block = s_row % Nhs;
+          int s_col_block = s_col % Nhs;
+          for (long c_row=0;c_row<Nc;c_row++) {
+            for (long c_col=0;c_col<Nc;c_col++) {
+              int i = s_row_block * Nc + c_row;
+              int j = s_col_block * Nc + c_col;
+              if(i == j)
+                clover_eigen(s_row*Nc+c_row, s_col*Nc+c_col) = static_cast<ComplexD>(TensorRemove(diagonal_tmp()(block)(i)));
+              else
+                clover_eigen(s_row*Nc+c_row, s_col*Nc+c_col) = static_cast<ComplexD>(TensorRemove(triangle_elem(triangle_tmp, block, i, j)));
+            }
+          }
+        }
+      }
+
+      clover_inv_eigen = clover_eigen.inverse();
+
+      for (long s_row=0;s_row<Ns;s_row++) {
+        for (long s_col=0;s_col<Ns;s_col++) {
+          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
+          int block       = s_row / Nhs;
+          int s_row_block = s_row % Nhs;
+          int s_col_block = s_col % Nhs;
+          for (long c_row=0;c_row<Nc;c_row++) {
+            for (long c_col=0;c_col<Nc;c_col++) {
+              int i = s_row_block * Nc + c_row;
+              int j = s_col_block * Nc + c_col;
+              if(i == j)
+                diagonal_inv_tmp()(block)(i) = clover_inv_eigen(s_row*Nc+c_row, s_col*Nc+c_col);
+              else if(i < j)
+                triangle_inv_tmp()(block)(triangle_index(i, j)) = clover_inv_eigen(s_row*Nc+c_row, s_col*Nc+c_col);
+              else
+                continue;
+            }
+          }
+        }
+      }
+
+      pokeLocalSite(diagonal_inv_tmp, diagonalInv_v, lcoor);
+      pokeLocalSite(triangle_inv_tmp, triangleInv_v, lcoor);
+    });
+  }
+
+  static void ConvertLayout(const CloverField&   full,
+                            CloverDiagonalField& diagonal,
+                            CloverTriangleField& triangle) {
+    conformable(full, diagonal);
+    conformable(full, triangle);
+
+    diagonal.Checkerboard() = full.Checkerboard();
+    triangle.Checkerboard() = full.Checkerboard();
+
+    autoView(full_v,     full,     AcceleratorRead);
+    autoView(diagonal_v, diagonal, AcceleratorWrite);
+    autoView(triangle_v, triangle, AcceleratorWrite);
+
+    // NOTE: this function cannot be 'private' since nvcc forbids this for kernels
+    accelerator_for(ss, full.Grid()->oSites(), 1, {
+      for(int s_row = 0; s_row < Ns; s_row++) {
+        for(int s_col = 0; s_col < Ns; s_col++) {
+          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
+          int block       = s_row / Nhs;
+          int s_row_block = s_row % Nhs;
+          int s_col_block = s_col % Nhs;
+          for(int c_row = 0; c_row < Nc; c_row++) {
+            for(int c_col = 0; c_col < Nc; c_col++) {
+              int i = s_row_block * Nc + c_row;
+              int j = s_col_block * Nc + c_col;
+              if(i == j)
+                diagonal_v[ss]()(block)(i) = full_v[ss]()(s_row, s_col)(c_row, c_col);
+              else if(i < j)
+                triangle_v[ss]()(block)(triangle_index(i, j)) = full_v[ss]()(s_row, s_col)(c_row, c_col);
+              else
+                continue;
+            }
+          }
+        }
+      }
+    });
+  }
+
+
+  static void ConvertLayout(const CloverDiagonalField& diagonal,
+                            const CloverTriangleField& triangle,
+                            CloverField&               full) {
+    conformable(full, diagonal);
+    conformable(full, triangle);
+
+    full.Checkerboard() = diagonal.Checkerboard();
+
+    full = Zero();
+
+    autoView(diagonal_v, diagonal, AcceleratorRead);
+    autoView(triangle_v, triangle, AcceleratorRead);
+    autoView(full_v,     full,     AcceleratorWrite);
+
+    // NOTE: this function cannot be 'private' since nvcc forbids this for kernels
+    accelerator_for(ss, full.Grid()->oSites(), 1, {
+      for(int s_row = 0; s_row < Ns; s_row++) {
+        for(int s_col = 0; s_col < Ns; s_col++) {
+          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
+          int block       = s_row / Nhs;
+          int s_row_block = s_row % Nhs;
+          int s_col_block = s_col % Nhs;
+          for(int c_row = 0; c_row < Nc; c_row++) {
+            for(int c_col = 0; c_col < Nc; c_col++) {
+              int i = s_row_block * Nc + c_row;
+              int j = s_col_block * Nc + c_col;
+              if(i == j)
+                full_v[ss]()(s_row, s_col)(c_row, c_col) = diagonal_v[ss]()(block)(i);
+              else
+                full_v[ss]()(s_row, s_col)(c_row, c_col) = triangle_elem(triangle_v[ss], block, i, j);
+            }
+          }
+        }
+      }
+    });
+  }
+
+  static void ModifyBoundaries(CloverDiagonalField& diagonal, CloverTriangleField& triangle, RealD csw_t, RealD cF, RealD diag_mass) {
+    // Checks/grid
+    double t0 = usecond();
+    conformable(diagonal, triangle);
+    GridBase* grid = diagonal.Grid();
+
+    // Determine the boundary coordinates/sites
+    double t1 = usecond();
+    int t_dir = Nd - 1;
+    Lattice<iScalar<vInteger>> t_coor(grid);
+    LatticeCoordinate(t_coor, t_dir);
+    int T = grid->GlobalDimensions()[t_dir];
+
+    // Set off-diagonal parts at boundary to zero -- OK
+    double t2 = usecond();
+    CloverTriangleField zeroTriangle(grid);
+    zeroTriangle.Checkerboard() = triangle.Checkerboard();
+    zeroTriangle = Zero();
+    triangle = where(t_coor == 0,   zeroTriangle, triangle);
+    triangle = where(t_coor == T-1, zeroTriangle, triangle);
+
+    // Set diagonal to unity (scaled correctly) -- OK
+    double t3 = usecond();
+    CloverDiagonalField tmp(grid);
+    tmp.Checkerboard() = diagonal.Checkerboard();
+    tmp                = -1.0 * csw_t + diag_mass;
+    diagonal           = where(t_coor == 0,   tmp, diagonal);
+    diagonal           = where(t_coor == T-1, tmp, diagonal);
+
+    // Correct values next to boundary
+    double t4 = usecond();
+    if(cF != 1.0) {
+      tmp = cF - 1.0;
+      tmp += diagonal;
+      diagonal = where(t_coor == 1,   tmp, diagonal);
+      diagonal = where(t_coor == T-2, tmp, diagonal);
+    }
+
+    // Report timings
+    double t5 = usecond();
+#if 0
+    std::cout << GridLogMessage << "CompactWilsonCloverHelpers::ModifyBoundaries timings:"
+              << " checks = "          << (t1 - t0) / 1e6
+              << ", coordinate = "     << (t2 - t1) / 1e6
+              << ", off-diag zero = "  << (t3 - t2) / 1e6
+              << ", diagonal unity = " << (t4 - t3) / 1e6
+              << ", near-boundary = "  << (t5 - t4) / 1e6
+              << ", total = "          << (t5 - t0) / 1e6
+              << std::endl;
+#endif
+  }
+
+  template<class Field, class Mask>
+  static strong_inline void ApplyBoundaryMask(Field& f, const Mask& m) {
+    conformable(f, m);
+    auto grid  = f.Grid();
+    const uint32_t Nsite = grid->oSites();
+    const uint32_t Nsimd = grid->Nsimd();
+    autoView(f_v, f, AcceleratorWrite);
+    autoView(m_v, m, AcceleratorRead);
+    // NOTE: this function cannot be 'private' since nvcc forbids this for kernels
+    accelerator_for(ss, Nsite, Nsimd, {
+      coalescedWrite(f_v[ss], m_v(ss) * f_v(ss));
+    });
+  }
+
+  template<class MaskField>
+  static void SetupMasks(MaskField& full, MaskField& even, MaskField& odd) {
+    assert(even.Grid()->_isCheckerBoarded && even.Checkerboard() == Even);
+    assert(odd.Grid()->_isCheckerBoarded  && odd.Checkerboard()  == Odd);
+    assert(!full.Grid()->_isCheckerBoarded);
+
+    GridBase* grid = full.Grid();
+    int t_dir = Nd-1;
+    Lattice<iScalar<vInteger>> t_coor(grid);
+    LatticeCoordinate(t_coor, t_dir);
+    int T = grid->GlobalDimensions()[t_dir];
+
+    MaskField zeroMask(grid); zeroMask = Zero();
+    full = 1.0;
+    full = where(t_coor == 0,   zeroMask, full);
+    full = where(t_coor == T-1, zeroMask, full);
+
+    pickCheckerboard(Even, even, full);
+    pickCheckerboard(Odd,  odd,  full);
+  }
+};
+
+NAMESPACE_END(Grid);

Grid/qcd/action/fermion/WilsonCloverTypes.h

@@ -0,0 +1,90 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/qcd/action/fermion/WilsonCloverTypes.h
+
+    Copyright (C) 2021 - 2022
+
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+template<class Impl>
+class WilsonCloverTypes {
+public:
+  INHERIT_IMPL_TYPES(Impl);
+
+  template <typename vtype> using iImplClover = iScalar<iMatrix<iMatrix<vtype, Impl::Dimension>, Ns>>;
+
+  typedef iImplClover<Simd> SiteClover;
+
+  typedef Lattice<SiteClover> CloverField;
+};
+
+template<class Impl>
+class CompactWilsonCloverTypes {
+public:
+  INHERIT_IMPL_TYPES(Impl);
+
+  static constexpr int Nred      = Nc * Nhs;        // 6
+  static constexpr int Nblock    = Nhs;             // 2
+  static constexpr int Ndiagonal = Nred;            // 6
+  static constexpr int Ntriangle = (Nred - 1) * Nc; // 15
+
+  template<typename vtype> using iImplCloverDiagonal = iScalar<iVector<iVector<vtype, Ndiagonal>, Nblock>>;
+  template<typename vtype> using iImplCloverTriangle = iScalar<iVector<iVector<vtype, Ntriangle>, Nblock>>;
+
+  typedef iImplCloverDiagonal<Simd> SiteCloverDiagonal;
+  typedef iImplCloverTriangle<Simd> SiteCloverTriangle;
+  typedef iSinglet<Simd>            SiteMask;
+
+  typedef Lattice<SiteCloverDiagonal> CloverDiagonalField;
+  typedef Lattice<SiteCloverTriangle> CloverTriangleField;
+  typedef Lattice<SiteMask>           MaskField;
+};
+
+#define INHERIT_CLOVER_TYPES(Impl)                                 \
+  typedef typename WilsonCloverTypes<Impl>::SiteClover SiteClover; \
+  typedef typename WilsonCloverTypes<Impl>::CloverField CloverField;
+
+#define INHERIT_COMPACT_CLOVER_TYPES(Impl) \
+  typedef typename CompactWilsonCloverTypes<Impl>::SiteCloverDiagonal  SiteCloverDiagonal; \
+  typedef typename CompactWilsonCloverTypes<Impl>::SiteCloverTriangle  SiteCloverTriangle; \
+  typedef typename CompactWilsonCloverTypes<Impl>::SiteMask            SiteMask; \
+  typedef typename CompactWilsonCloverTypes<Impl>::CloverDiagonalField CloverDiagonalField; \
+  typedef typename CompactWilsonCloverTypes<Impl>::CloverTriangleField CloverTriangleField; \
+  typedef typename CompactWilsonCloverTypes<Impl>::MaskField           MaskField; \
+  /* ugly duplication but needed inside functionality classes */ \
+  template<typename vtype> using iImplCloverDiagonal = \
+    iScalar<iVector<iVector<vtype, CompactWilsonCloverTypes<Impl>::Ndiagonal>, CompactWilsonCloverTypes<Impl>::Nblock>>; \
+  template<typename vtype> using iImplCloverTriangle = \
+    iScalar<iVector<iVector<vtype, CompactWilsonCloverTypes<Impl>::Ntriangle>, CompactWilsonCloverTypes<Impl>::Nblock>>;
+
+#define INHERIT_COMPACT_CLOVER_SIZES(Impl)                                    \
+  static constexpr int Nred      = CompactWilsonCloverTypes<Impl>::Nred;      \
+  static constexpr int Nblock    = CompactWilsonCloverTypes<Impl>::Nblock;    \
+  static constexpr int Ndiagonal = CompactWilsonCloverTypes<Impl>::Ndiagonal; \
+  static constexpr int Ntriangle = CompactWilsonCloverTypes<Impl>::Ntriangle;
+
+NAMESPACE_END(Grid);

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;
@@ -174,6 +178,17 @@ public:
 		  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/CayleyFermion5DImplementation.h

@@ -47,7 +47,7 @@ CayleyFermion5D<Impl>::CayleyFermion5D(GaugeField &_Umu,
 			FiveDimRedBlackGrid,
 			FourDimGrid,
 			FourDimRedBlackGrid,_M5,p),
-  mass(_mass)
+  mass_plus(_mass), mass_minus(_mass)
 { 
 }
 
@@ -209,8 +209,8 @@ void CayleyFermion5D<Impl>::M5D   (const FermionField &psi, FermionField &chi)
 {
   int Ls=this->Ls;
   Vector<Coeff_t> diag (Ls,1.0);
-  Vector<Coeff_t> upper(Ls,-1.0); upper[Ls-1]=mass;
+  Vector<Coeff_t> upper(Ls,-1.0); upper[Ls-1]=mass_minus;
-  Vector<Coeff_t> lower(Ls,-1.0); lower[0]   =mass;
+  Vector<Coeff_t> lower(Ls,-1.0); lower[0]   =mass_plus;
   M5D(psi,chi,chi,lower,diag,upper);
 }
 template<class Impl>
@@ -220,8 +220,8 @@ void CayleyFermion5D<Impl>::Meooe5D    (const FermionField &psi, FermionField &D
   Vector<Coeff_t> diag = bs;
   Vector<Coeff_t> upper= cs;
   Vector<Coeff_t> lower= cs; 
-  upper[Ls-1]=-mass*upper[Ls-1];
+  upper[Ls-1]=-mass_minus*upper[Ls-1];
-  lower[0]   =-mass*lower[0];
+  lower[0]   =-mass_plus*lower[0];
   M5D(psi,psi,Din,lower,diag,upper);
 }
 // FIXME Redunant with the above routine; check this and eliminate
@@ -235,8 +235,8 @@ template<class Impl> void CayleyFermion5D<Impl>::Meo5D     (const FermionField &
     upper[i]=-ceo[i];
     lower[i]=-ceo[i];
   }
-  upper[Ls-1]=-mass*upper[Ls-1];
+  upper[Ls-1]=-mass_minus*upper[Ls-1];
-  lower[0]   =-mass*lower[0];
+  lower[0]   =-mass_plus*lower[0];
   M5D(psi,psi,chi,lower,diag,upper);
 }
 template<class Impl>
@@ -250,8 +250,8 @@ void CayleyFermion5D<Impl>::Mooee       (const FermionField &psi, FermionField &
     upper[i]=-cee[i];
     lower[i]=-cee[i];
   }
-  upper[Ls-1]=-mass*upper[Ls-1];
+  upper[Ls-1]=-mass_minus*upper[Ls-1];
-  lower[0]   =-mass*lower[0];
+  lower[0]   =-mass_plus*lower[0];
   M5D(psi,psi,chi,lower,diag,upper);
 }
 template<class Impl>
@@ -266,9 +266,9 @@ void CayleyFermion5D<Impl>::MooeeDag    (const FermionField &psi, FermionField &
     // Assemble the 5d matrix
     if ( s==0 ) {
       upper[s] = -cee[s+1] ;
-      lower[s] = mass*cee[Ls-1];
+      lower[s] = mass_minus*cee[Ls-1];
     } else if ( s==(Ls-1)) { 
-      upper[s] = mass*cee[0];
+      upper[s] = mass_plus*cee[0];
       lower[s] = -cee[s-1];
     } else {
       upper[s]=-cee[s+1];
@@ -291,8 +291,8 @@ void CayleyFermion5D<Impl>::M5Ddag (const FermionField &psi, FermionField &chi)
   Vector<Coeff_t> diag(Ls,1.0);
   Vector<Coeff_t> upper(Ls,-1.0);
   Vector<Coeff_t> lower(Ls,-1.0);
-  upper[Ls-1]=-mass*upper[Ls-1];
+  upper[Ls-1]=-mass_plus*upper[Ls-1];
-  lower[0]   =-mass*lower[0];
+  lower[0]   =-mass_minus*lower[0];
   M5Ddag(psi,chi,chi,lower,diag,upper);
 }
 
@@ -307,9 +307,9 @@ void CayleyFermion5D<Impl>::MeooeDag5D    (const FermionField &psi, FermionField
   for (int s=0;s<Ls;s++){
     if ( s== 0 ) {
       upper[s] = cs[s+1];
-      lower[s] =-mass*cs[Ls-1];
+      lower[s] =-mass_minus*cs[Ls-1];
     } else if ( s==(Ls-1) ) { 
-      upper[s] =-mass*cs[0];
+      upper[s] =-mass_plus*cs[0];
       lower[s] = cs[s-1];
     } else { 
       upper[s] = cs[s+1];
@@ -552,7 +552,7 @@ void CayleyFermion5D<Impl>::SetCoefficientsInternal(RealD zolo_hi,Vector<Coeff_t
       
       lee[i] =-cee[i+1]/bee[i]; // sub-diag entry on the ith column
       
-      leem[i]=mass*cee[Ls-1]/bee[0];
+      leem[i]=mass_minus*cee[Ls-1]/bee[0];
       for(int j=0;j<i;j++) {
 	assert(bee[j+1]!=Coeff_t(0.0));
 	leem[i]*= aee[j]/bee[j+1];
@@ -560,7 +560,7 @@ void CayleyFermion5D<Impl>::SetCoefficientsInternal(RealD zolo_hi,Vector<Coeff_t
       
       uee[i] =-aee[i]/bee[i];   // up-diag entry on the ith row
       
-      ueem[i]=mass;
+      ueem[i]=mass_plus;
       for(int j=1;j<=i;j++) ueem[i]*= cee[j]/bee[j];
       ueem[i]*= aee[0]/bee[0];
       
@@ -573,7 +573,7 @@ void CayleyFermion5D<Impl>::SetCoefficientsInternal(RealD zolo_hi,Vector<Coeff_t
   }
 	
   { 
-    Coeff_t delta_d=mass*cee[Ls-1];
+    Coeff_t delta_d=mass_minus*cee[Ls-1];
     for(int j=0;j<Ls-1;j++) {
       assert(bee[j] != Coeff_t(0.0));
       delta_d *= cee[j]/bee[j];
@@ -642,6 +642,10 @@ void CayleyFermion5D<Impl>::ContractConservedCurrent( PropagatorField &q_in_1,
 						      Current curr_type,
 						      unsigned int mu)
 {
+
+  assert(mass_plus == mass_minus);
+  RealD mass = mass_plus;
+  
 #if (!defined(GRID_HIP))
   Gamma::Algebra Gmu [] = {
     Gamma::Algebra::GammaX,
@@ -777,6 +781,8 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
   assert(mu>=0);
   assert(mu<Nd);
 
+  assert(mass_plus == mass_minus);
+  RealD mass = mass_plus;
 
 #if 0
   int tshift = (mu == Nd-1) ? 1 : 0;
@@ -828,6 +834,7 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
 
 #if (!defined(GRID_HIP))
   int tshift = (mu == Nd-1) ? 1 : 0;
+  unsigned int LLt    = GridDefaultLatt()[Tp];
   ////////////////////////////////////////////////
   // GENERAL CAYLEY CASE
   ////////////////////////////////////////////////
@@ -880,7 +887,7 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
   }
 
   std::vector<RealD> G_s(Ls,1.0);
-  RealD sign = 1; // sign flip for vector/tadpole
+  RealD sign = 1.0; // sign flip for vector/tadpole
   if ( curr_type == Current::Axial ) {
     for(int s=0;s<Ls/2;s++){
       G_s[s] = -1.0;
@@ -890,7 +897,7 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
     auto b=this->_b;
     auto c=this->_c;
     if ( b == 1 && c == 0 ) {
-      sign = -1;    
+      sign = -1.0;    
     }
     else {
       std::cerr << "Error: Tadpole implementation currently unavailable for non-Shamir actions." << std::endl;
@@ -934,7 +941,13 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
     tmp    = Cshift(tmp,mu,-1);
     Impl::multLinkField(Utmp,this->Umu,tmp,mu+Nd); // Adjoint link
     tmp = -G_s[s]*( Utmp + gmu*Utmp );
-    tmp    = where((lcoor>=tmin+tshift),tmp,zz); // Mask the time 
+    // Mask the time
+    if (tmax == LLt - 1 && tshift == 1){ // quick fix to include timeslice 0 if tmax + tshift is over the last timeslice
+      unsigned int t0 = 0;
+      tmp    = where(((lcoor==t0) || (lcoor>=tmin+tshift)),tmp,zz);
+    } else {
+      tmp    = where((lcoor>=tmin+tshift),tmp,zz);
+    }
     L_Q   += where((lcoor<=tmax+tshift),tmp,zz); // Position of current complicated
 
     InsertSlice(L_Q, q_out, s , 0);

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

@@ -0,0 +1,373 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/qcd/action/fermion/CompactWilsonCloverFermionImplementation.h
+
+    Copyright (C) 2017 - 2022
+
+    Author: paboyle <paboyle@ph.ed.ac.uk>
+    Author: Guido Cossu <guido.cossu@ed.ac.uk>
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+/*  END LEGAL */
+
+#include <Grid/Grid.h>
+#include <Grid/qcd/spin/Dirac.h>
+#include <Grid/qcd/action/fermion/CompactWilsonCloverFermion.h>
+
+
+NAMESPACE_BEGIN(Grid);
+template<class Impl, class CloverHelpers>
+CompactWilsonCloverFermion<Impl, CloverHelpers>::CompactWilsonCloverFermion(GaugeField& _Umu,
+                                                                            GridCartesian& Fgrid,
+                                                                            GridRedBlackCartesian& Hgrid,
+                                                                            const RealD _mass,
+                                                                            const RealD _csw_r,
+                                                                            const RealD _csw_t,
+                                                                            const RealD _cF,
+                                                                            const WilsonAnisotropyCoefficients& clover_anisotropy,
+                                                                            const ImplParams& impl_p)
+  : WilsonBase(_Umu, Fgrid, Hgrid, _mass, impl_p, clover_anisotropy)
+  , csw_r(_csw_r)
+  , csw_t(_csw_t)
+  , cF(_cF)
+  , open_boundaries(impl_p.boundary_phases[Nd-1] == 0.0)
+  , Diagonal(&Fgrid),        Triangle(&Fgrid)
+  , DiagonalEven(&Hgrid),    TriangleEven(&Hgrid)
+  , DiagonalOdd(&Hgrid),     TriangleOdd(&Hgrid)
+  , DiagonalInv(&Fgrid),     TriangleInv(&Fgrid)
+  , DiagonalInvEven(&Hgrid), TriangleInvEven(&Hgrid)
+  , DiagonalInvOdd(&Hgrid),  TriangleInvOdd(&Hgrid)
+  , Tmp(&Fgrid)
+  , BoundaryMask(&Fgrid)
+  , BoundaryMaskEven(&Hgrid), BoundaryMaskOdd(&Hgrid)
+{
+  assert(Nd == 4 && Nc == 3 && Ns == 4 && Impl::Dimension == 3);
+
+  csw_r *= 0.5;
+  csw_t *= 0.5;
+  if (clover_anisotropy.isAnisotropic)
+    csw_r /= clover_anisotropy.xi_0;
+
+  ImportGauge(_Umu);
+  if (open_boundaries) {
+    this->BoundaryMaskEven.Checkerboard() = Even;
+    this->BoundaryMaskOdd.Checkerboard() = Odd;
+    CompactHelpers::SetupMasks(this->BoundaryMask, this->BoundaryMaskEven, this->BoundaryMaskOdd);
+  }
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::Dhop(const FermionField& in, FermionField& out, int dag) {
+  WilsonBase::Dhop(in, out, dag);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::DhopOE(const FermionField& in, FermionField& out, int dag) {
+  WilsonBase::DhopOE(in, out, dag);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::DhopEO(const FermionField& in, FermionField& out, int dag) {
+  WilsonBase::DhopEO(in, out, dag);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::DhopDir(const FermionField& in, FermionField& out, int dir, int disp) {
+  WilsonBase::DhopDir(in, out, dir, disp);
+  if(this->open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::DhopDirAll(const FermionField& in, std::vector<FermionField>& out) {
+  WilsonBase::DhopDirAll(in, out);
+  if(this->open_boundaries) {
+    for(auto& o : out) ApplyBoundaryMask(o);
+  }
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::M(const FermionField& in, FermionField& out) {
+  out.Checkerboard() = in.Checkerboard();
+  WilsonBase::Dhop(in, out, DaggerNo); // call base to save applying bc
+  Mooee(in, Tmp);
+  axpy(out, 1.0, out, Tmp);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::Mdag(const FermionField& in, FermionField& out) {
+  out.Checkerboard() = in.Checkerboard();
+  WilsonBase::Dhop(in, out, DaggerYes);  // call base to save applying bc
+  MooeeDag(in, Tmp);
+  axpy(out, 1.0, out, Tmp);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::Meooe(const FermionField& in, FermionField& out) {
+  WilsonBase::Meooe(in, out);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::MeooeDag(const FermionField& in, FermionField& out) {
+  WilsonBase::MeooeDag(in, out);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::Mooee(const FermionField& in, FermionField& out) {
+  if(in.Grid()->_isCheckerBoarded) {
+    if(in.Checkerboard() == Odd) {
+      MooeeInternal(in, out, DiagonalOdd, TriangleOdd);
+    } else {
+      MooeeInternal(in, out, DiagonalEven, TriangleEven);
+    }
+  } else {
+    MooeeInternal(in, out, Diagonal, Triangle);
+  }
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::MooeeDag(const FermionField& in, FermionField& out) {
+  Mooee(in, out); // blocks are hermitian
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::MooeeInv(const FermionField& in, FermionField& out) {
+  if(in.Grid()->_isCheckerBoarded) {
+    if(in.Checkerboard() == Odd) {
+      MooeeInternal(in, out, DiagonalInvOdd, TriangleInvOdd);
+    } else {
+      MooeeInternal(in, out, DiagonalInvEven, TriangleInvEven);
+    }
+  } else {
+    MooeeInternal(in, out, DiagonalInv, TriangleInv);
+  }
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::MooeeInvDag(const FermionField& in, FermionField& out) {
+  MooeeInv(in, out); // blocks are hermitian
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::Mdir(const FermionField& in, FermionField& out, int dir, int disp) {
+  DhopDir(in, out, dir, disp);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::MdirAll(const FermionField& in, std::vector<FermionField>& out) {
+  DhopDirAll(in, out);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::MDeriv(GaugeField& force, const FermionField& X, const FermionField& Y, int dag) {
+  assert(!open_boundaries); // TODO check for changes required for open bc
+
+  // NOTE: code copied from original clover term
+  conformable(X.Grid(), Y.Grid());
+  conformable(X.Grid(), force.Grid());
+  GaugeLinkField force_mu(force.Grid()), lambda(force.Grid());
+  GaugeField clover_force(force.Grid());
+  PropagatorField Lambda(force.Grid());
+
+  // Guido: Here we are hitting some performance issues:
+  // need to extract the components of the DoubledGaugeField
+  // for each call
+  // Possible solution
+  // Create a vector object to store them? (cons: wasting space)
+  std::vector<GaugeLinkField> U(Nd, this->Umu.Grid());
+
+  Impl::extractLinkField(U, this->Umu);
+
+  force = Zero();
+  // Derivative of the Wilson hopping term
+  this->DhopDeriv(force, X, Y, dag);
+
+  ///////////////////////////////////////////////////////////
+  // Clover term derivative
+  ///////////////////////////////////////////////////////////
+  Impl::outerProductImpl(Lambda, X, Y);
+  //std::cout << "Lambda:" << Lambda << std::endl;
+
+  Gamma::Algebra sigma[] = {
+      Gamma::Algebra::SigmaXY,
+      Gamma::Algebra::SigmaXZ,
+      Gamma::Algebra::SigmaXT,
+      Gamma::Algebra::MinusSigmaXY,
+      Gamma::Algebra::SigmaYZ,
+      Gamma::Algebra::SigmaYT,
+      Gamma::Algebra::MinusSigmaXZ,
+      Gamma::Algebra::MinusSigmaYZ,
+      Gamma::Algebra::SigmaZT,
+      Gamma::Algebra::MinusSigmaXT,
+      Gamma::Algebra::MinusSigmaYT,
+      Gamma::Algebra::MinusSigmaZT};
+
+  /*
+    sigma_{\mu \nu}=
+    | 0         sigma[0]  sigma[1]  sigma[2] |
+    | sigma[3]    0       sigma[4]  sigma[5] |
+    | sigma[6]  sigma[7]     0      sigma[8] |
+    | sigma[9]  sigma[10] sigma[11]   0      |
+  */
+
+  int count = 0;
+  clover_force = Zero();
+  for (int mu = 0; mu < 4; mu++)
+  {
+    force_mu = Zero();
+    for (int nu = 0; nu < 4; nu++)
+    {
+      if (mu == nu)
+        continue;
+
+      RealD factor;
+      if (nu == 4 || mu == 4)
+      {
+        factor = 2.0 * csw_t;
+      }
+      else
+      {
+        factor = 2.0 * csw_r;
+      }
+      PropagatorField Slambda = Gamma(sigma[count]) * Lambda; // sigma checked
+      Impl::TraceSpinImpl(lambda, Slambda);                   // traceSpin ok
+      force_mu -= factor*CloverHelpers::Cmunu(U, lambda, mu, nu);   // checked
+      count++;
+    }
+
+    pokeLorentz(clover_force, U[mu] * force_mu, mu);
+  }
+  //clover_force *= csw;
+  force += clover_force;
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::MooDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) {
+  assert(0);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::MeeDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) {
+  assert(0);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::MooeeInternal(const FermionField&        in,
+                    FermionField&              out,
+                    const CloverDiagonalField& diagonal,
+                    const CloverTriangleField& triangle) {
+  assert(in.Checkerboard() == Odd || in.Checkerboard() == Even);
+  out.Checkerboard() = in.Checkerboard();
+  conformable(in, out);
+  conformable(in, diagonal);
+  conformable(in, triangle);
+
+  CompactHelpers::MooeeKernel(diagonal.oSites(), 1, in, out, diagonal, triangle);
+}
+
+template<class Impl, class CloverHelpers>
+void CompactWilsonCloverFermion<Impl, CloverHelpers>::ImportGauge(const GaugeField& _Umu) {
+  // NOTE: parts copied from original implementation
+
+  // Import gauge into base class
+  double t0 = usecond();
+  WilsonBase::ImportGauge(_Umu); // NOTE: called here and in wilson constructor -> performed twice, but can't avoid that
+
+  // Initialize temporary variables
+  double t1 = usecond();
+  conformable(_Umu.Grid(), this->GaugeGrid());
+  GridBase* grid = _Umu.Grid();
+  typename Impl::GaugeLinkField Bx(grid), By(grid), Bz(grid), Ex(grid), Ey(grid), Ez(grid);
+  CloverField TmpOriginal(grid);
+
+  // Compute the field strength terms mu>nu
+  double t2 = usecond();
+  WilsonLoops<Impl>::FieldStrength(Bx, _Umu, Zdir, Ydir);
+  WilsonLoops<Impl>::FieldStrength(By, _Umu, Zdir, Xdir);
+  WilsonLoops<Impl>::FieldStrength(Bz, _Umu, Ydir, Xdir);
+  WilsonLoops<Impl>::FieldStrength(Ex, _Umu, Tdir, Xdir);
+  WilsonLoops<Impl>::FieldStrength(Ey, _Umu, Tdir, Ydir);
+  WilsonLoops<Impl>::FieldStrength(Ez, _Umu, Tdir, Zdir);
+
+  // Compute the Clover Operator acting on Colour and Spin
+  // multiply here by the clover coefficients for the anisotropy
+  double t3 = usecond();
+  TmpOriginal  = Helpers::fillCloverYZ(Bx) * csw_r;
+  TmpOriginal += Helpers::fillCloverXZ(By) * csw_r;
+  TmpOriginal += Helpers::fillCloverXY(Bz) * csw_r;
+  TmpOriginal += Helpers::fillCloverXT(Ex) * csw_t;
+  TmpOriginal += Helpers::fillCloverYT(Ey) * csw_t;
+  TmpOriginal += Helpers::fillCloverZT(Ez) * csw_t;
+  // Handle mass term based on clover policy
+  CloverHelpers::MassTerm(TmpOriginal, this->diag_mass);
+  
+  // Convert the data layout of the clover term
+  double t4 = usecond();
+  CompactHelpers::ConvertLayout(TmpOriginal, Diagonal, Triangle);
+
+  // Exponentiate the clover (nothing happens in case of the standard clover)
+  double t5 = usecond();
+  CloverHelpers::Exponentiate_Clover(Diagonal, Triangle, csw_t, this->diag_mass);
+
+  // Possible modify the boundary values
+  double t6 = usecond();
+  if(open_boundaries) CompactHelpers::ModifyBoundaries(Diagonal, Triangle, csw_t, cF, this->diag_mass);
+
+  // Invert the Clover term (explicit inversion needed for the improvement in case of open boundary conditions)
+  double t7 = usecond();
+  CompactHelpers::Invert(Diagonal, Triangle, DiagonalInv, TriangleInv);
+
+  // Fill the remaining clover fields
+  double t8 = usecond();
+  pickCheckerboard(Even, DiagonalEven,    Diagonal);
+  pickCheckerboard(Even, TriangleEven,    Triangle);
+  pickCheckerboard(Odd,  DiagonalOdd,     Diagonal);
+  pickCheckerboard(Odd,  TriangleOdd,     Triangle);
+  pickCheckerboard(Even, DiagonalInvEven, DiagonalInv);
+  pickCheckerboard(Even, TriangleInvEven, TriangleInv);
+  pickCheckerboard(Odd,  DiagonalInvOdd,  DiagonalInv);
+  pickCheckerboard(Odd,  TriangleInvOdd,  TriangleInv);
+
+  // Report timings
+  double t9 = usecond();
+
+  std::cout << GridLogDebug << "CompactWilsonCloverFermion::ImportGauge timings:" << std::endl;
+  std::cout << GridLogDebug << "WilsonFermion::Importgauge = " << (t1 - t0) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "allocations =                " << (t2 - t1) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "field strength =             " << (t3 - t2) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "fill clover =                " << (t4 - t3) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "convert =                    " << (t5 - t4) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "exponentiation =             " << (t6 - t5) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "boundaries =                 " << (t7 - t6) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "inversions =                 " << (t8 - t7) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "pick cbs =                   " << (t9 - t8) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "total =                      " << (t9 - t0) / 1e6 << std::endl;
+}
+
+NAMESPACE_END(Grid);

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

@@ -2,12 +2,13 @@
 
     Grid physics library, www.github.com/paboyle/Grid
 
-    Source file: ./lib/qcd/action/fermion/WilsonCloverFermion.cc
+    Source file: ./lib/qcd/action/fermion/WilsonCloverFermionImplementation.h
 
-    Copyright (C) 2017
+    Copyright (C) 2017 - 2022
 
     Author: paboyle <paboyle@ph.ed.ac.uk>
     Author: Guido Cossu <guido.cossu@ed.ac.uk>
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
 
     This program is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
@@ -33,9 +34,48 @@
 
 NAMESPACE_BEGIN(Grid);
 
+template<class Impl, class CloverHelpers>
+WilsonCloverFermion<Impl, CloverHelpers>::WilsonCloverFermion(GaugeField&                         _Umu,
+                                               GridCartesian&                      Fgrid,
+                                               GridRedBlackCartesian&              Hgrid,
+                                               const RealD                         _mass,
+                                               const RealD                         _csw_r,
+                                               const RealD                         _csw_t,
+                                               const WilsonAnisotropyCoefficients& clover_anisotropy,
+                                               const ImplParams&                   impl_p)
+  : WilsonFermion<Impl>(_Umu, Fgrid, Hgrid, _mass, impl_p, clover_anisotropy)
+  , CloverTerm(&Fgrid)
+  , CloverTermInv(&Fgrid)
+  , CloverTermEven(&Hgrid)
+  , CloverTermOdd(&Hgrid)
+  , CloverTermInvEven(&Hgrid)
+  , CloverTermInvOdd(&Hgrid)
+  , CloverTermDagEven(&Hgrid)
+  , CloverTermDagOdd(&Hgrid)
+  , CloverTermInvDagEven(&Hgrid)
+  , CloverTermInvDagOdd(&Hgrid) {
+  assert(Nd == 4); // require 4 dimensions
+
+  if(clover_anisotropy.isAnisotropic) {
+    csw_r     = _csw_r * 0.5 / clover_anisotropy.xi_0;
+    diag_mass = _mass + 1.0 + (Nd - 1) * (clover_anisotropy.nu / clover_anisotropy.xi_0);
+  } else {
+    csw_r     = _csw_r * 0.5;
+    diag_mass = 4.0 + _mass;
+  }
+  csw_t = _csw_t * 0.5;
+
+  if(csw_r == 0)
+    std::cout << GridLogWarning << "Initializing WilsonCloverFermion with csw_r = 0" << std::endl;
+  if(csw_t == 0)
+    std::cout << GridLogWarning << "Initializing WilsonCloverFermion with csw_t = 0" << std::endl;
+
+  ImportGauge(_Umu);
+}
+
 // *NOT* EO
-template <class Impl>
+template<class Impl, class CloverHelpers>
-void WilsonCloverFermion<Impl>::M(const FermionField &in, FermionField &out)
+void WilsonCloverFermion<Impl, CloverHelpers>::M(const FermionField &in, FermionField &out)
 {
   FermionField temp(out.Grid());
 
@@ -49,8 +89,8 @@ void WilsonCloverFermion<Impl>::M(const FermionField &in, FermionField &out)
   out += temp;
 }
 
-template <class Impl>
+template<class Impl, class CloverHelpers>
-void WilsonCloverFermion<Impl>::Mdag(const FermionField &in, FermionField &out)
+void WilsonCloverFermion<Impl, CloverHelpers>::Mdag(const FermionField &in, FermionField &out)
 {
   FermionField temp(out.Grid());
 
@@ -64,13 +104,16 @@ void WilsonCloverFermion<Impl>::Mdag(const FermionField &in, FermionField &out)
   out += temp;
 }
 
-template <class Impl>
+template<class Impl, class CloverHelpers>
-void WilsonCloverFermion<Impl>::ImportGauge(const GaugeField &_Umu)
+void WilsonCloverFermion<Impl, CloverHelpers>::ImportGauge(const GaugeField &_Umu)
 {
+  double t0 = usecond();
   WilsonFermion<Impl>::ImportGauge(_Umu);
+  double t1 = usecond();
   GridBase *grid = _Umu.Grid();
   typename Impl::GaugeLinkField Bx(grid), By(grid), Bz(grid), Ex(grid), Ey(grid), Ez(grid);
 
+  double t2 = usecond();
   // Compute the field strength terms mu>nu
   WilsonLoops<Impl>::FieldStrength(Bx, _Umu, Zdir, Ydir);
   WilsonLoops<Impl>::FieldStrength(By, _Umu, Zdir, Xdir);
@@ -79,52 +122,20 @@ void WilsonCloverFermion<Impl>::ImportGauge(const GaugeField &_Umu)
   WilsonLoops<Impl>::FieldStrength(Ey, _Umu, Tdir, Ydir);
   WilsonLoops<Impl>::FieldStrength(Ez, _Umu, Tdir, Zdir);
 
+  double t3 = usecond();
   // Compute the Clover Operator acting on Colour and Spin
   // multiply here by the clover coefficients for the anisotropy
-  CloverTerm  = fillCloverYZ(Bx) * csw_r;
+  CloverTerm  = Helpers::fillCloverYZ(Bx) * csw_r;
-  CloverTerm += fillCloverXZ(By) * csw_r;
+  CloverTerm += Helpers::fillCloverXZ(By) * csw_r;
-  CloverTerm += fillCloverXY(Bz) * csw_r;
+  CloverTerm += Helpers::fillCloverXY(Bz) * csw_r;
-  CloverTerm += fillCloverXT(Ex) * csw_t;
+  CloverTerm += Helpers::fillCloverXT(Ex) * csw_t;
-  CloverTerm += fillCloverYT(Ey) * csw_t;
+  CloverTerm += Helpers::fillCloverYT(Ey) * csw_t;
-  CloverTerm += fillCloverZT(Ez) * csw_t;
+  CloverTerm += Helpers::fillCloverZT(Ez) * csw_t;
-  CloverTerm += diag_mass;
    
-  int lvol = _Umu.Grid()->lSites();
+  double t4 = usecond();
-  int DimRep = Impl::Dimension;
+  CloverHelpers::Instantiate(CloverTerm, CloverTermInv, csw_t, this->diag_mass);
-
-  {
-    autoView(CTv,CloverTerm,CpuRead);
-    autoView(CTIv,CloverTermInv,CpuWrite);
-    thread_for(site, lvol, {
-      Coordinate lcoor;
-      grid->LocalIndexToLocalCoor(site, lcoor);
-      Eigen::MatrixXcd EigenCloverOp = Eigen::MatrixXcd::Zero(Ns * DimRep, Ns * DimRep);
-      Eigen::MatrixXcd EigenInvCloverOp = Eigen::MatrixXcd::Zero(Ns * DimRep, Ns * DimRep);
-      typename SiteCloverType::scalar_object Qx = Zero(), Qxinv = Zero();
-      peekLocalSite(Qx, CTv, lcoor);
-      //if (csw!=0){
-      for (int j = 0; j < Ns; j++)
-	for (int k = 0; k < Ns; k++)
-	  for (int a = 0; a < DimRep; a++)
-	    for (int b = 0; b < DimRep; b++){
-	      auto zz =  Qx()(j, k)(a, b);
-	      EigenCloverOp(a + j * DimRep, b + k * DimRep) = std::complex<double>(zz);
-	    }
-      //   if (site==0) std::cout << "site =" << site << "\n" << EigenCloverOp << std::endl;
-      
-      EigenInvCloverOp = EigenCloverOp.inverse();
-      //std::cout << EigenInvCloverOp << std::endl;
-      for (int j = 0; j < Ns; j++)
-	for (int k = 0; k < Ns; k++)
-	  for (int a = 0; a < DimRep; a++)
-	    for (int b = 0; b < DimRep; b++)
-	      Qxinv()(j, k)(a, b) = EigenInvCloverOp(a + j * DimRep, b + k * DimRep);
-      //    if (site==0) std::cout << "site =" << site << "\n" << EigenInvCloverOp << std::endl;
-      //  }
-      pokeLocalSite(Qxinv, CTIv, lcoor);
-    });
-  }
 
+  double t5 = usecond();
   // Separate the even and odd parts
   pickCheckerboard(Even, CloverTermEven, CloverTerm);
   pickCheckerboard(Odd, CloverTermOdd, CloverTerm);
@@ -137,37 +148,47 @@ void WilsonCloverFermion<Impl>::ImportGauge(const GaugeField &_Umu)
 
   pickCheckerboard(Even, CloverTermInvDagEven, adj(CloverTermInv));
   pickCheckerboard(Odd, CloverTermInvDagOdd, adj(CloverTermInv));
+  double t6 = usecond();
+
+  std::cout << GridLogDebug << "WilsonCloverFermion::ImportGauge timings:" << std::endl;
+  std::cout << GridLogDebug << "WilsonFermion::Importgauge = " << (t1 - t0) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "allocations =                " << (t2 - t1) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "field strength =             " << (t3 - t2) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "fill clover =                " << (t4 - t3) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "instantiation =              " << (t5 - t4) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "pick cbs =                   " << (t6 - t5) / 1e6 << std::endl;
+  std::cout << GridLogDebug << "total =                      " << (t6 - t0) / 1e6 << std::endl;
 }
 
-template <class Impl>
+template<class Impl, class CloverHelpers>
-void WilsonCloverFermion<Impl>::Mooee(const FermionField &in, FermionField &out)
+void WilsonCloverFermion<Impl, CloverHelpers>::Mooee(const FermionField &in, FermionField &out)
 {
   this->MooeeInternal(in, out, DaggerNo, InverseNo);
 }
 
-template <class Impl>
+template<class Impl, class CloverHelpers>
-void WilsonCloverFermion<Impl>::MooeeDag(const FermionField &in, FermionField &out)
+void WilsonCloverFermion<Impl, CloverHelpers>::MooeeDag(const FermionField &in, FermionField &out)
 {
   this->MooeeInternal(in, out, DaggerYes, InverseNo);
 }
 
-template <class Impl>
+template<class Impl, class CloverHelpers>
-void WilsonCloverFermion<Impl>::MooeeInv(const FermionField &in, FermionField &out)
+void WilsonCloverFermion<Impl, CloverHelpers>::MooeeInv(const FermionField &in, FermionField &out)
 {
   this->MooeeInternal(in, out, DaggerNo, InverseYes);
 }
 
-template <class Impl>
+template<class Impl, class CloverHelpers>
-void WilsonCloverFermion<Impl>::MooeeInvDag(const FermionField &in, FermionField &out)
+void WilsonCloverFermion<Impl, CloverHelpers>::MooeeInvDag(const FermionField &in, FermionField &out)
 {
   this->MooeeInternal(in, out, DaggerYes, InverseYes);
 }
 
-template <class Impl>
+template<class Impl, class CloverHelpers>
-void WilsonCloverFermion<Impl>::MooeeInternal(const FermionField &in, FermionField &out, int dag, int inv)
+void WilsonCloverFermion<Impl, CloverHelpers>::MooeeInternal(const FermionField &in, FermionField &out, int dag, int inv)
 {
   out.Checkerboard() = in.Checkerboard();
-  CloverFieldType *Clover;
+  CloverField *Clover;
   assert(in.Checkerboard() == Odd || in.Checkerboard() == Even);
 
   if (dag)
@@ -182,12 +203,12 @@ void WilsonCloverFermion<Impl>::MooeeInternal(const FermionField &in, FermionFie
       {
         Clover = (inv) ? &CloverTermInvDagEven : &CloverTermDagEven;
       }
-      out = *Clover * in;
+      Helpers::multCloverField(out, *Clover, in);
     }
     else
     {
       Clover = (inv) ? &CloverTermInv : &CloverTerm;
-      out = adj(*Clover) * in;
+      Helpers::multCloverField(out, *Clover, in); // don't bother with adj, hermitian anyway
     }
   }
   else
@@ -205,29 +226,109 @@ void WilsonCloverFermion<Impl>::MooeeInternal(const FermionField &in, FermionFie
         //  std::cout << "Calling clover term Even" << std::endl;
         Clover = (inv) ? &CloverTermInvEven : &CloverTermEven;
       }
-      out = *Clover * in;
+      Helpers::multCloverField(out, *Clover, in);
       //  std::cout << GridLogMessage << "*Clover.Checkerboard() "  << (*Clover).Checkerboard() << std::endl;
     }
     else
     {
       Clover = (inv) ? &CloverTermInv : &CloverTerm;
-      out = *Clover * in;
+      Helpers::multCloverField(out, *Clover, in);
     }
   }
-
 } // MooeeInternal
 
+// Derivative parts unpreconditioned pseudofermions
+template<class Impl, class CloverHelpers>
+void WilsonCloverFermion<Impl, CloverHelpers>::MDeriv(GaugeField &force, const FermionField &X, const FermionField &Y, int dag)
+{
+  conformable(X.Grid(), Y.Grid());
+  conformable(X.Grid(), force.Grid());
+  GaugeLinkField force_mu(force.Grid()), lambda(force.Grid());
+  GaugeField clover_force(force.Grid());
+  PropagatorField Lambda(force.Grid());
+
+  // Guido: Here we are hitting some performance issues:
+  // need to extract the components of the DoubledGaugeField
+  // for each call
+  // Possible solution
+  // Create a vector object to store them? (cons: wasting space)
+  std::vector<GaugeLinkField> U(Nd, this->Umu.Grid());
+
+  Impl::extractLinkField(U, this->Umu);
+
+  force = Zero();
+  // Derivative of the Wilson hopping term
+  this->DhopDeriv(force, X, Y, dag);
+
+  ///////////////////////////////////////////////////////////
+  // Clover term derivative
+  ///////////////////////////////////////////////////////////
+  Impl::outerProductImpl(Lambda, X, Y);
+  //std::cout << "Lambda:" << Lambda << std::endl;
+
+  Gamma::Algebra sigma[] = {
+      Gamma::Algebra::SigmaXY,
+      Gamma::Algebra::SigmaXZ,
+      Gamma::Algebra::SigmaXT,
+      Gamma::Algebra::MinusSigmaXY,
+      Gamma::Algebra::SigmaYZ,
+      Gamma::Algebra::SigmaYT,
+      Gamma::Algebra::MinusSigmaXZ,
+      Gamma::Algebra::MinusSigmaYZ,
+      Gamma::Algebra::SigmaZT,
+      Gamma::Algebra::MinusSigmaXT,
+      Gamma::Algebra::MinusSigmaYT,
+      Gamma::Algebra::MinusSigmaZT};
+
+  /*
+    sigma_{\mu \nu}=
+    | 0         sigma[0]  sigma[1]  sigma[2] |
+    | sigma[3]    0       sigma[4]  sigma[5] |
+    | sigma[6]  sigma[7]     0      sigma[8] |
+    | sigma[9]  sigma[10] sigma[11]   0      |
+  */
+
+  int count = 0;
+  clover_force = Zero();
+  for (int mu = 0; mu < 4; mu++)
+  {
+    force_mu = Zero();
+    for (int nu = 0; nu < 4; nu++)
+    {
+      if (mu == nu)
+      continue;
+
+      RealD factor;
+      if (nu == 4 || mu == 4)
+      {
+        factor = 2.0 * csw_t;
+      }
+      else
+      {
+        factor = 2.0 * csw_r;
+      }
+      PropagatorField Slambda = Gamma(sigma[count]) * Lambda; // sigma checked
+      Impl::TraceSpinImpl(lambda, Slambda);                   // traceSpin ok
+      force_mu -= factor*CloverHelpers::Cmunu(U, lambda, mu, nu);                   // checked
+      count++;
+    }
+
+    pokeLorentz(clover_force, U[mu] * force_mu, mu);
+  }
+  //clover_force *= csw;
+  force += clover_force;
+}
 
 // Derivative parts
-template <class Impl>
+template<class Impl, class CloverHelpers>
-void WilsonCloverFermion<Impl>::MooDeriv(GaugeField &mat, const FermionField &X, const FermionField &Y, int dag)
+void WilsonCloverFermion<Impl, CloverHelpers>::MooDeriv(GaugeField &mat, const FermionField &X, const FermionField &Y, int dag)
 {
   assert(0);
 }
 
 // Derivative parts
-template <class Impl>
+template<class Impl, class CloverHelpers>
-void WilsonCloverFermion<Impl>::MeeDeriv(GaugeField &mat, const FermionField &U, const FermionField &V, int dag)
+void WilsonCloverFermion<Impl, CloverHelpers>::MeeDeriv(GaugeField &mat, const FermionField &U, const FermionField &V, int dag)
 {
   assert(0); // not implemented yet
 }

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/fermion/implementation/WilsonFermionImplementation.h

@@ -4,12 +4,13 @@ Grid physics library, www.github.com/paboyle/Grid
 
 Source file: ./lib/qcd/action/fermion/WilsonFermion.cc
 
-Copyright (C) 2015
+Copyright (C) 2022
 
 Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
 Author: paboyle <paboyle@ph.ed.ac.uk>
+Author: Fabian Joswig <fabian.joswig@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
@@ -599,11 +600,47 @@ void WilsonFermion<Impl>::ContractConservedCurrent(PropagatorField &q_in_1,
                                                    Current curr_type,
                                                    unsigned int mu)
 {
+  if(curr_type != Current::Vector)
+  {
+    std::cout << GridLogError << "Only the conserved vector current is implemented so far." << std::endl;
+    exit(1);
+  }
+
   Gamma g5(Gamma::Algebra::Gamma5);
   conformable(_grid, q_in_1.Grid());
   conformable(_grid, q_in_2.Grid());
   conformable(_grid, q_out.Grid());
-  assert(0);
+  auto UGrid= this->GaugeGrid();
+
+  PropagatorField tmp_shifted(UGrid);
+  PropagatorField g5Lg5(UGrid);
+  PropagatorField R(UGrid);
+  PropagatorField gmuR(UGrid);
+
+    Gamma::Algebra Gmu [] = {
+    Gamma::Algebra::GammaX,
+    Gamma::Algebra::GammaY,
+    Gamma::Algebra::GammaZ,
+    Gamma::Algebra::GammaT,
+  };
+  Gamma gmu=Gamma(Gmu[mu]);
+
+  g5Lg5=g5*q_in_1*g5;
+  tmp_shifted=Cshift(q_in_2,mu,1);
+  Impl::multLinkField(R,this->Umu,tmp_shifted,mu);
+  gmuR=gmu*R;
+
+  q_out=adj(g5Lg5)*R;
+  q_out-=adj(g5Lg5)*gmuR;
+
+  tmp_shifted=Cshift(q_in_1,mu,1);
+  Impl::multLinkField(g5Lg5,this->Umu,tmp_shifted,mu);
+  g5Lg5=g5*g5Lg5*g5;
+  R=q_in_2;
+  gmuR=gmu*R;
+
+  q_out-=adj(g5Lg5)*R;
+  q_out-=adj(g5Lg5)*gmuR;
 }
 
 
@@ -617,9 +654,51 @@ void WilsonFermion<Impl>::SeqConservedCurrent(PropagatorField &q_in,
                                               unsigned int tmax,
 					      ComplexField &lattice_cmplx)
 {
+  if(curr_type != Current::Vector)
+  {
+    std::cout << GridLogError << "Only the conserved vector current is implemented so far." << std::endl;
+    exit(1);
+  }
+
+  int tshift = (mu == Nd-1) ? 1 : 0;
+  unsigned int LLt    = GridDefaultLatt()[Tp];
   conformable(_grid, q_in.Grid());
   conformable(_grid, q_out.Grid());
-  assert(0);
+  auto UGrid= this->GaugeGrid();
+
+  PropagatorField tmp(UGrid);
+  PropagatorField Utmp(UGrid);
+  PropagatorField L(UGrid);
+  PropagatorField zz (UGrid);
+  zz=Zero();
+  LatticeInteger lcoor(UGrid); LatticeCoordinate(lcoor,Nd-1);
+
+    Gamma::Algebra Gmu [] = {
+    Gamma::Algebra::GammaX,
+    Gamma::Algebra::GammaY,
+    Gamma::Algebra::GammaZ,
+    Gamma::Algebra::GammaT,
+  };
+  Gamma gmu=Gamma(Gmu[mu]);
+
+  tmp = Cshift(q_in,mu,1);
+  Impl::multLinkField(Utmp,this->Umu,tmp,mu);
+  tmp = ( Utmp*lattice_cmplx - gmu*Utmp*lattice_cmplx ); // Forward hop
+  tmp = where((lcoor>=tmin),tmp,zz); // Mask the time
+  q_out = where((lcoor<=tmax),tmp,zz); // Position of current complicated
+
+  tmp = q_in *lattice_cmplx;
+  tmp = Cshift(tmp,mu,-1);
+  Impl::multLinkField(Utmp,this->Umu,tmp,mu+Nd); // Adjoint link
+  tmp = -( Utmp + gmu*Utmp );
+  // Mask the time
+  if (tmax == LLt - 1 && tshift == 1){ // quick fix to include timeslice 0 if tmax + tshift is over the last timeslice
+    unsigned int t0 = 0;
+    tmp = where(((lcoor==t0) || (lcoor>=tmin+tshift)),tmp,zz);
+  } else {
+    tmp = where((lcoor>=tmin+tshift),tmp,zz);
+  }
+  q_out+= where((lcoor<=tmax+tshift),tmp,zz); // Position of current complicated
 }
 
 NAMESPACE_END(Grid);

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

@@ -77,23 +77,23 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #define REGISTER
 
 #ifdef GRID_SIMT
-#define LOAD_CHIMU(ptype)		\
+#define LOAD_CHIMU(Ptype)		\
   {const SiteSpinor & ref (in[offset]);	\
-    Chimu_00=coalescedReadPermute<ptype>(ref()(0)(0),perm,lane);	\
+    Chimu_00=coalescedReadPermute<Ptype>(ref()(0)(0),perm,lane);	\
-    Chimu_01=coalescedReadPermute<ptype>(ref()(0)(1),perm,lane);		\
+    Chimu_01=coalescedReadPermute<Ptype>(ref()(0)(1),perm,lane);		\
-    Chimu_02=coalescedReadPermute<ptype>(ref()(0)(2),perm,lane);		\
+    Chimu_02=coalescedReadPermute<Ptype>(ref()(0)(2),perm,lane);		\
-    Chimu_10=coalescedReadPermute<ptype>(ref()(1)(0),perm,lane);		\
+    Chimu_10=coalescedReadPermute<Ptype>(ref()(1)(0),perm,lane);		\
-    Chimu_11=coalescedReadPermute<ptype>(ref()(1)(1),perm,lane);		\
+    Chimu_11=coalescedReadPermute<Ptype>(ref()(1)(1),perm,lane);		\
-    Chimu_12=coalescedReadPermute<ptype>(ref()(1)(2),perm,lane);		\
+    Chimu_12=coalescedReadPermute<Ptype>(ref()(1)(2),perm,lane);		\
-    Chimu_20=coalescedReadPermute<ptype>(ref()(2)(0),perm,lane);		\
+    Chimu_20=coalescedReadPermute<Ptype>(ref()(2)(0),perm,lane);		\
-    Chimu_21=coalescedReadPermute<ptype>(ref()(2)(1),perm,lane);		\
+    Chimu_21=coalescedReadPermute<Ptype>(ref()(2)(1),perm,lane);		\
-    Chimu_22=coalescedReadPermute<ptype>(ref()(2)(2),perm,lane);		\
+    Chimu_22=coalescedReadPermute<Ptype>(ref()(2)(2),perm,lane);		\
-    Chimu_30=coalescedReadPermute<ptype>(ref()(3)(0),perm,lane);		\
+    Chimu_30=coalescedReadPermute<Ptype>(ref()(3)(0),perm,lane);		\
-    Chimu_31=coalescedReadPermute<ptype>(ref()(3)(1),perm,lane);		\
+    Chimu_31=coalescedReadPermute<Ptype>(ref()(3)(1),perm,lane);		\
-    Chimu_32=coalescedReadPermute<ptype>(ref()(3)(2),perm,lane);	}
+    Chimu_32=coalescedReadPermute<Ptype>(ref()(3)(2),perm,lane);	}
 #define PERMUTE_DIR(dir) ;
 #else
-#define LOAD_CHIMU(ptype)		\
+#define LOAD_CHIMU(Ptype)		\
   {const SiteSpinor & ref (in[offset]);	\
     Chimu_00=ref()(0)(0);\
     Chimu_01=ref()(0)(1);\
@@ -110,10 +110,10 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 
 #define PERMUTE_DIR(dir)			\
   permute##dir(Chi_00,Chi_00);			\
-      permute##dir(Chi_01,Chi_01);\
+  permute##dir(Chi_01,Chi_01);			\
-      permute##dir(Chi_02,Chi_02);\
+  permute##dir(Chi_02,Chi_02);			\
   permute##dir(Chi_10,Chi_10);			\
-      permute##dir(Chi_11,Chi_11);\
+  permute##dir(Chi_11,Chi_11);			\
   permute##dir(Chi_12,Chi_12);
 
 #endif
@@ -371,10 +371,11 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
   result_32-= UChi_12;
 
 #define HAND_STENCIL_LEGB(PROJ,PERM,DIR,RECON)	\
+  {int ptype;					\
    SE=st.GetEntry(ptype,DIR,ss);		\
-  offset = SE->_offset;				\
+   auto offset = SE->_offset;			\
-  local  = SE->_is_local;			\
+   auto local  = SE->_is_local;			\
-  perm   = SE->_permute;			\
+   auto perm   = SE->_permute;			\
    if ( local ) {				\
      LOAD_CHIMU(PERM);				\
      PROJ;					\
@@ -386,14 +387,14 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
    }						\
    acceleratorSynchronise();			\
    MULT_2SPIN(DIR);				\
-  RECON;					
+   RECON;					}
 
 #define HAND_STENCIL_LEG(PROJ,PERM,DIR,RECON)		\
-  SE=&st_p[DIR+8*ss];				\
+  { SE=&st_p[DIR+8*ss];						\
-  ptype=st_perm[DIR];				\
+  auto ptype=st_perm[DIR];					\
-  offset = SE->_offset;				\
+  auto offset = SE->_offset;					\
-  local  = SE->_is_local;			\
+  auto local  = SE->_is_local;					\
-  perm   = SE->_permute;			\
+  auto perm   = SE->_permute;					\
   if ( local ) {						\
     LOAD_CHIMU(PERM);						\
     PROJ;							\
@@ -405,24 +406,25 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
   }								\
   acceleratorSynchronise();					\
   MULT_2SPIN(DIR);						\
-  RECON;					
+  RECON;					}
 
 #define HAND_STENCIL_LEGA(PROJ,PERM,DIR,RECON)				\
-  SE=&st_p[DIR+8*ss];							\
+  { SE=&st_p[DIR+8*ss];							\
-  ptype=st_perm[DIR];							\
+    auto ptype=st_perm[DIR];						\
     /*SE=st.GetEntry(ptype,DIR,ss);*/					\
-  offset = SE->_offset;				\
+    auto offset = SE->_offset;						\
-  perm   = SE->_permute;			\
+    auto perm   = SE->_permute;						\
     LOAD_CHIMU(PERM);							\
     PROJ;								\
     MULT_2SPIN(DIR);							\
-  RECON;					
+    RECON;					}
 
 #define HAND_STENCIL_LEG_INT(PROJ,PERM,DIR,RECON)	\
+  { int ptype;						\
   SE=st.GetEntry(ptype,DIR,ss);				\
-  offset = SE->_offset;				\
+  auto offset = SE->_offset;					\
-  local  = SE->_is_local;			\
+  auto local  = SE->_is_local;					\
-  perm   = SE->_permute;			\
+  auto perm   = SE->_permute;					\
   if ( local ) {						\
     LOAD_CHIMU(PERM);						\
     PROJ;							\
@@ -437,18 +439,19 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     MULT_2SPIN(DIR);						\
     RECON;							\
   }								\
-  acceleratorSynchronise();			
+  acceleratorSynchronise();			}
 
 #define HAND_STENCIL_LEG_EXT(PROJ,PERM,DIR,RECON)	\
+  { int ptype;						\
   SE=st.GetEntry(ptype,DIR,ss);				\
-  offset = SE->_offset;				\
+  auto offset = SE->_offset;				\
   if((!SE->_is_local)&&(!st.same_node[DIR]) ) {		\
     LOAD_CHI;						\
     MULT_2SPIN(DIR);					\
     RECON;						\
     nmu++;						\
   }							\
-  acceleratorSynchronise();			
+  acceleratorSynchronise();			}
 
 #define HAND_RESULT(ss)					\
   {							\
@@ -563,7 +566,6 @@ WilsonKernels<Impl>::HandDhopSiteSycl(StencilVector st_perm,StencilEntry *st_p,
 
   HAND_DECLARATIONS(Simt);
 
-  int offset,local,perm, ptype;
   StencilEntry *SE;
   HAND_STENCIL_LEG(XM_PROJ,3,Xp,XM_RECON);
   HAND_STENCIL_LEG(YM_PROJ,2,Yp,YM_RECON_ACCUM);
@@ -593,9 +595,7 @@ WilsonKernels<Impl>::HandDhopSite(StencilView &st, DoubledGaugeFieldView &U,Site
 
   HAND_DECLARATIONS(Simt);
 
-  int offset,local,perm, ptype;
   StencilEntry *SE;
-
   HAND_STENCIL_LEG(XM_PROJ,3,Xp,XM_RECON);
   HAND_STENCIL_LEG(YM_PROJ,2,Yp,YM_RECON_ACCUM);
   HAND_STENCIL_LEG(ZM_PROJ,1,Zp,ZM_RECON_ACCUM);
@@ -623,8 +623,6 @@ void WilsonKernels<Impl>::HandDhopSiteDag(StencilView &st,DoubledGaugeFieldView
   HAND_DECLARATIONS(Simt);
 
   StencilEntry *SE;
-  int offset,local,perm, ptype;
-  
   HAND_STENCIL_LEG(XP_PROJ,3,Xp,XP_RECON);
   HAND_STENCIL_LEG(YP_PROJ,2,Yp,YP_RECON_ACCUM);
   HAND_STENCIL_LEG(ZP_PROJ,1,Zp,ZP_RECON_ACCUM);
@@ -640,8 +638,8 @@ template<class Impl>  accelerator_inline void
 WilsonKernels<Impl>::HandDhopSiteInt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor  *buf,
 					  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  auto st_p = st._entries_p;						
+  //  auto st_p = st._entries_p;						
-  auto st_perm = st._permute_type;					
+  //  auto st_perm = st._permute_type;					
 // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
@@ -652,7 +650,6 @@ WilsonKernels<Impl>::HandDhopSiteInt(StencilView &st,DoubledGaugeFieldView &U,Si
 
   HAND_DECLARATIONS(Simt);
 
-  int offset,local,perm, ptype;
   StencilEntry *SE;
   ZERO_RESULT;
   HAND_STENCIL_LEG_INT(XM_PROJ,3,Xp,XM_RECON_ACCUM);
@@ -670,8 +667,8 @@ template<class Impl> accelerator_inline
 void WilsonKernels<Impl>::HandDhopSiteDagInt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor *buf,
 						  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  auto st_p = st._entries_p;						
+  //  auto st_p = st._entries_p;						
-  auto st_perm = st._permute_type;					
+  //  auto st_perm = st._permute_type;					
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
   typedef decltype( coalescedRead( in[0]()(0)(0) )) Simt;
@@ -682,7 +679,6 @@ void WilsonKernels<Impl>::HandDhopSiteDagInt(StencilView &st,DoubledGaugeFieldVi
   HAND_DECLARATIONS(Simt);
 
   StencilEntry *SE;
-  int offset,local,perm, ptype;
   ZERO_RESULT;
   HAND_STENCIL_LEG_INT(XP_PROJ,3,Xp,XP_RECON_ACCUM);
   HAND_STENCIL_LEG_INT(YP_PROJ,2,Yp,YP_RECON_ACCUM);
@@ -699,8 +695,8 @@ template<class Impl>  accelerator_inline void
 WilsonKernels<Impl>::HandDhopSiteExt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor  *buf,
 					  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  auto st_p = st._entries_p;						
+  //  auto st_p = st._entries_p;						
-  auto st_perm = st._permute_type;					
+  //  auto st_perm = st._permute_type;					
 // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
@@ -711,7 +707,7 @@ WilsonKernels<Impl>::HandDhopSiteExt(StencilView &st,DoubledGaugeFieldView &U,Si
 
   HAND_DECLARATIONS(Simt);
 
-  int offset, ptype;
+  //  int offset, ptype;
   StencilEntry *SE;
   int nmu=0;
   ZERO_RESULT;
@@ -730,8 +726,8 @@ template<class Impl>  accelerator_inline
 void WilsonKernels<Impl>::HandDhopSiteDagExt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor *buf,
 						  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  auto st_p = st._entries_p;						
+  //  auto st_p = st._entries_p;						
-  auto st_perm = st._permute_type;					
+  //  auto st_perm = st._permute_type;					
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
   typedef decltype( coalescedRead( in[0]()(0)(0) )) Simt;
@@ -742,7 +738,7 @@ void WilsonKernels<Impl>::HandDhopSiteDagExt(StencilView &st,DoubledGaugeFieldVi
   HAND_DECLARATIONS(Simt);
 
   StencilEntry *SE;
-  int offset, ptype;
+  //  int offset, ptype;
   int nmu=0;
   ZERO_RESULT;
   HAND_STENCIL_LEG_EXT(XP_PROJ,3,Xp,XP_RECON_ACCUM);

Grid/qcd/action/fermion/instantiation/CompactWilsonCloverFermionInstantiation.cc.master

@@ -0,0 +1,44 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/ qcd/action/fermion/instantiation/CompactWilsonCloverFermionInstantiation.cc.master
+
+    Copyright (C) 2017 - 2022
+
+    Author: paboyle <paboyle@ph.ed.ac.uk>
+    Author: Guido Cossu <guido.cossu@ed.ac.uk>
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
+    Author: Mattia Bruno <mattia.bruno@cern.ch>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+/*  END LEGAL */
+
+#include <Grid/Grid.h>
+#include <Grid/qcd/spin/Dirac.h>
+#include <Grid/qcd/action/fermion/CompactWilsonCloverFermion.h>
+#include <Grid/qcd/action/fermion/implementation/CompactWilsonCloverFermionImplementation.h>
+#include <Grid/qcd/action/fermion/CloverHelpers.h>
+
+NAMESPACE_BEGIN(Grid);
+
+#include "impl.h"
+template class CompactWilsonCloverFermion<IMPLEMENTATION, CompactCloverHelpers<IMPLEMENTATION>>; 
+template class CompactWilsonCloverFermion<IMPLEMENTATION, CompactExpCloverHelpers<IMPLEMENTATION>>; 
+
+NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/WilsonAdjImplD/WilsonKernelsInstantiationWilsonAdjImplD.cc

@@ -1,51 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/fermion/WilsonKernels.cc
-
-Copyright (C) 2015, 2020
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Nils Meyer <nils.meyer@ur.de> Regensburg University
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/qcd/action/fermion/FermionCore.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsImplementation.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsHandImplementation.h>
-
-#ifndef AVX512
-#ifndef QPX
-#ifndef A64FX
-#ifndef A64FXFIXEDSIZE
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsAsmImplementation.h>
-#endif
-#endif
-#endif
-#endif
-
-NAMESPACE_BEGIN(Grid);
-
-#include "impl.h"
-template class WilsonKernels<IMPLEMENTATION>;
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/WilsonAdjImplD/WilsonKernelsInstantiationWilsonAdjImplD.cc

@@ -0,0 +1 @@
+../WilsonKernelsInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/WilsonAdjImplF/WilsonKernelsInstantiationWilsonAdjImplF.cc

@@ -1,51 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/fermion/WilsonKernels.cc
-
-Copyright (C) 2015, 2020
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Nils Meyer <nils.meyer@ur.de> Regensburg University
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/qcd/action/fermion/FermionCore.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsImplementation.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsHandImplementation.h>
-
-#ifndef AVX512
-#ifndef QPX
-#ifndef A64FX
-#ifndef A64FXFIXEDSIZE
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsAsmImplementation.h>
-#endif
-#endif
-#endif
-#endif
-
-NAMESPACE_BEGIN(Grid);
-
-#include "impl.h"
-template class WilsonKernels<IMPLEMENTATION>;
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/WilsonAdjImplF/WilsonKernelsInstantiationWilsonAdjImplF.cc

@@ -0,0 +1 @@
+../WilsonKernelsInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/WilsonCloverFermionInstantiation.cc.master

@@ -8,6 +8,7 @@
 
     Author: paboyle <paboyle@ph.ed.ac.uk>
     Author: Guido Cossu <guido.cossu@ed.ac.uk>
+    Author: Mattia Bruno <mattia.bruno@cern.ch>
     
     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
@@ -31,10 +32,12 @@
 #include <Grid/qcd/spin/Dirac.h>
 #include <Grid/qcd/action/fermion/WilsonCloverFermion.h>
 #include <Grid/qcd/action/fermion/implementation/WilsonCloverFermionImplementation.h>
+#include <Grid/qcd/action/fermion/CloverHelpers.h>
 
 NAMESPACE_BEGIN(Grid);
 
 #include "impl.h"
-template class WilsonCloverFermion<IMPLEMENTATION>; 
+template class WilsonCloverFermion<IMPLEMENTATION, CloverHelpers<IMPLEMENTATION>>; 
+template class WilsonCloverFermion<IMPLEMENTATION, ExpCloverHelpers<IMPLEMENTATION>>; 
 
 NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/WilsonImplD/CompactWilsonCloverFermionInstantiationWilsonImplD.cc

@@ -0,0 +1 @@
+../CompactWilsonCloverFermionInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/WilsonImplD/WilsonKernelsInstantiationWilsonImplD.cc

@@ -1,51 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/fermion/WilsonKernels.cc
-
-Copyright (C) 2015, 2020
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Nils Meyer <nils.meyer@ur.de> Regensburg University
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/qcd/action/fermion/FermionCore.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsImplementation.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsHandImplementation.h>
-
-#ifndef AVX512
-#ifndef QPX
-#ifndef A64FX
-#ifndef A64FXFIXEDSIZE
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsAsmImplementation.h>
-#endif
-#endif
-#endif
-#endif
-
-NAMESPACE_BEGIN(Grid);
-
-#include "impl.h"
-template class WilsonKernels<IMPLEMENTATION>;
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/WilsonImplD/WilsonKernelsInstantiationWilsonImplD.cc

@@ -0,0 +1 @@
+../WilsonKernelsInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/WilsonImplF/CompactWilsonCloverFermionInstantiationWilsonImplF.cc

@@ -0,0 +1 @@
+../CompactWilsonCloverFermionInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/WilsonImplF/WilsonKernelsInstantiationWilsonImplF.cc

@@ -1,51 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/fermion/WilsonKernels.cc
-
-Copyright (C) 2015, 2020
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Nils Meyer <nils.meyer@ur.de> Regensburg University
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/qcd/action/fermion/FermionCore.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsImplementation.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsHandImplementation.h>
-
-#ifndef AVX512
-#ifndef QPX
-#ifndef A64FX
-#ifndef A64FXFIXEDSIZE
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsAsmImplementation.h>
-#endif
-#endif
-#endif
-#endif
-
-NAMESPACE_BEGIN(Grid);
-
-#include "impl.h"
-template class WilsonKernels<IMPLEMENTATION>;
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/WilsonImplF/WilsonKernelsInstantiationWilsonImplF.cc

@@ -0,0 +1 @@
+../WilsonKernelsInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/WilsonTwoIndexAntiSymmetricImplD/WilsonKernelsInstantiationWilsonTwoIndexAntiSymmetricImplD.cc

@@ -1,51 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/fermion/WilsonKernels.cc
-
-Copyright (C) 2015, 2020
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Nils Meyer <nils.meyer@ur.de> Regensburg University
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/qcd/action/fermion/FermionCore.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsImplementation.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsHandImplementation.h>
-
-#ifndef AVX512
-#ifndef QPX
-#ifndef A64FX
-#ifndef A64FXFIXEDSIZE
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsAsmImplementation.h>
-#endif
-#endif
-#endif
-#endif
-
-NAMESPACE_BEGIN(Grid);
-
-#include "impl.h"
-template class WilsonKernels<IMPLEMENTATION>;
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/WilsonTwoIndexAntiSymmetricImplD/WilsonKernelsInstantiationWilsonTwoIndexAntiSymmetricImplD.cc

@@ -0,0 +1 @@
+../WilsonKernelsInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/WilsonTwoIndexAntiSymmetricImplF/WilsonKernelsInstantiationWilsonTwoIndexAntiSymmetricImplF.cc

@@ -1,51 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/fermion/WilsonKernels.cc
-
-Copyright (C) 2015, 2020
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Nils Meyer <nils.meyer@ur.de> Regensburg University
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/qcd/action/fermion/FermionCore.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsImplementation.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsHandImplementation.h>
-
-#ifndef AVX512
-#ifndef QPX
-#ifndef A64FX
-#ifndef A64FXFIXEDSIZE
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsAsmImplementation.h>
-#endif
-#endif
-#endif
-#endif
-
-NAMESPACE_BEGIN(Grid);
-
-#include "impl.h"
-template class WilsonKernels<IMPLEMENTATION>;
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/WilsonTwoIndexAntiSymmetricImplF/WilsonKernelsInstantiationWilsonTwoIndexAntiSymmetricImplF.cc

@@ -0,0 +1 @@
+../WilsonKernelsInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/WilsonTwoIndexSymmetricImplD/WilsonKernelsInstantiationWilsonTwoIndexSymmetricImplD.cc

@@ -1,51 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/fermion/WilsonKernels.cc
-
-Copyright (C) 2015, 2020
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Nils Meyer <nils.meyer@ur.de> Regensburg University
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/qcd/action/fermion/FermionCore.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsImplementation.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsHandImplementation.h>
-
-#ifndef AVX512
-#ifndef QPX
-#ifndef A64FX
-#ifndef A64FXFIXEDSIZE
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsAsmImplementation.h>
-#endif
-#endif
-#endif
-#endif
-
-NAMESPACE_BEGIN(Grid);
-
-#include "impl.h"
-template class WilsonKernels<IMPLEMENTATION>;
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/WilsonTwoIndexSymmetricImplD/WilsonKernelsInstantiationWilsonTwoIndexSymmetricImplD.cc

@@ -0,0 +1 @@
+../WilsonKernelsInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/WilsonTwoIndexSymmetricImplF/WilsonKernelsInstantiationWilsonTwoIndexSymmetricImplF.cc

@@ -1,51 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/fermion/WilsonKernels.cc
-
-Copyright (C) 2015, 2020
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Nils Meyer <nils.meyer@ur.de> Regensburg University
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/qcd/action/fermion/FermionCore.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsImplementation.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsHandImplementation.h>
-
-#ifndef AVX512
-#ifndef QPX
-#ifndef A64FX
-#ifndef A64FXFIXEDSIZE
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsAsmImplementation.h>
-#endif
-#endif
-#endif
-#endif
-
-NAMESPACE_BEGIN(Grid);
-
-#include "impl.h"
-template class WilsonKernels<IMPLEMENTATION>;
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/WilsonTwoIndexSymmetricImplF/WilsonKernelsInstantiationWilsonTwoIndexSymmetricImplF.cc

@@ -0,0 +1 @@
+../WilsonKernelsInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/ZWilsonImplD/WilsonKernelsInstantiationZWilsonImplD.cc

@@ -1,51 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/fermion/WilsonKernels.cc
-
-Copyright (C) 2015, 2020
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Nils Meyer <nils.meyer@ur.de> Regensburg University
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/qcd/action/fermion/FermionCore.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsImplementation.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsHandImplementation.h>
-
-#ifndef AVX512
-#ifndef QPX
-#ifndef A64FX
-#ifndef A64FXFIXEDSIZE
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsAsmImplementation.h>
-#endif
-#endif
-#endif
-#endif
-
-NAMESPACE_BEGIN(Grid);
-
-#include "impl.h"
-template class WilsonKernels<IMPLEMENTATION>;
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/ZWilsonImplD/WilsonKernelsInstantiationZWilsonImplD.cc

@@ -0,0 +1 @@
+../WilsonKernelsInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/ZWilsonImplF/WilsonKernelsInstantiationZWilsonImplF.cc

@@ -1,51 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/fermion/WilsonKernels.cc
-
-Copyright (C) 2015, 2020
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Nils Meyer <nils.meyer@ur.de> Regensburg University
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/qcd/action/fermion/FermionCore.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsImplementation.h>
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsHandImplementation.h>
-
-#ifndef AVX512
-#ifndef QPX
-#ifndef A64FX
-#ifndef A64FXFIXEDSIZE
-#include <Grid/qcd/action/fermion/implementation/WilsonKernelsAsmImplementation.h>
-#endif
-#endif
-#endif
-#endif
-
-NAMESPACE_BEGIN(Grid);
-
-#include "impl.h"
-template class WilsonKernels<IMPLEMENTATION>;
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/ZWilsonImplF/WilsonKernelsInstantiationZWilsonImplF.cc

@@ -0,0 +1 @@
+../WilsonKernelsInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/generate_instantiations.sh

@@ -18,6 +18,10 @@ WILSON_IMPL_LIST=" \
 	   GparityWilsonImplF \
 	   GparityWilsonImplD "
 
+COMPACT_WILSON_IMPL_LIST=" \
+	   WilsonImplF \
+	   WilsonImplD "
+
 DWF_IMPL_LIST=" \
 	   WilsonImplF \
 	   WilsonImplD \
@@ -50,6 +54,16 @@ do
 done
 done
 
+CC_LIST="CompactWilsonCloverFermionInstantiation"
+
+for impl in $COMPACT_WILSON_IMPL_LIST
+do
+for f in $CC_LIST
+do
+  ln -f -s ../$f.cc.master $impl/$f$impl.cc
+done
+done
+
 CC_LIST=" \
   CayleyFermion5DInstantiation \
   ContinuedFractionFermion5DInstantiation \

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 << GridLogMessage << " 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/hmc/GenericHMCrunner.h

@@ -129,18 +129,10 @@ public:
     Runner(S);
   }
 
-  //////////////////////////////////////////////////////////////////
+  //Use the checkpointer to initialize the RNGs and the gauge field, writing the resulting gauge field into U.
-
+  //This is called automatically by Run but may be useful elsewhere, e.g. for integrator tuning experiments
-private:
+  void initializeGaugeFieldAndRNGs(Field &U){
-  template <class SmearingPolicy>
+    if(!Resources.haveRNGs()) Resources.AddRNGs();
-  void Runner(SmearingPolicy &Smearing) {
-    auto UGrid = Resources.GetCartesian();
-    Resources.AddRNGs();
-    Field U(UGrid);
-
-    // Can move this outside?
-    typedef IntegratorType<SmearingPolicy> TheIntegrator;
-    TheIntegrator MDynamics(UGrid, Parameters.MD, TheAction, Smearing);
 
     if (Parameters.StartingType == "HotStart") {
       // Hot start
@@ -167,6 +159,25 @@ private:
 	<< "Valid [HotStart, ColdStart, TepidStart, CheckpointStart]\n";
       exit(1);
     }
+  }
+
+
+
+  //////////////////////////////////////////////////////////////////
+
+private:
+  template <class SmearingPolicy>
+  void Runner(SmearingPolicy &Smearing) {
+    auto UGrid = Resources.GetCartesian();
+    Field U(UGrid);
+
+    initializeGaugeFieldAndRNGs(U);
+
+    typedef IntegratorType<SmearingPolicy> TheIntegrator;
+    TheIntegrator MDynamics(UGrid, Parameters.MD, TheAction, Smearing);
+
+    // Sets the momentum filter
+    MDynamics.setMomentumFilter(*(Resources.GetMomentumFilter()));
 
     Smearing.set_Field(U);
 

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 << GridLogMessage
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
-              << "--------------------------------------------------\n";
+    std::cout << GridLogHMC << "exp(-dH) = " << prob << "  Random = " << rn_test << "\n";
-    std::cout << GridLogMessage << "exp(-dH) = " << prob
+    std::cout << GridLogHMC << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
-              << "  Random = " << rn_test << "\n";
-    std::cout << GridLogMessage
-              << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
 
     if ((prob > 1.0) || (rn_test <= prob)) {  // accepted
-      std::cout << GridLogMessage << "Metropolis_test -- ACCEPTED\n";
+      std::cout << GridLogHMC << "Metropolis_test -- ACCEPTED\n";
-      std::cout << GridLogMessage
+      std::cout << GridLogHMC << "--------------------------------------------------\n";
-                << "--------------------------------------------------\n";
       return true;
     } else {  // rejected
-      std::cout << GridLogMessage << "Metropolis_test -- REJECTED\n";
+      std::cout << GridLogHMC << "Metropolis_test -- REJECTED\n";
-      std::cout << GridLogMessage
+      std::cout << GridLogHMC << "--------------------------------------------------\n";
-                << "--------------------------------------------------\n";
       return false;
     }
   }
@@ -139,18 +135,67 @@ 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 << GridLogMessage << "Total H before trajectory = " << H0 << "\n";
+    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";
+
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // updated state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Compute final action";
+    RealD H1 = TheIntegrator.S(U);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+
 
-    RealD H1 = TheIntegrator.S(U);  // updated state action
     
     ///////////////////////////////////////////////////////////
     if(0){
@@ -163,18 +208,17 @@ private:
     }
     ///////////////////////////////////////////////////////////
 
-
     std::cout.precision(15);
-    std::cout << GridLogMessage << "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:
   /////////////////////////////////////////
   // Constructor
@@ -195,10 +239,13 @@ 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 << GridLogMessage << "-- # Trajectory = " << traj << "\n";
+
+      std::cout << GridLogHMC << "-- # Trajectory = " << traj << "\n";
+
       if (traj < Params.StartTrajectory + Params.NoMetropolisUntil) {
-      	std::cout << GridLogMessage << "-- Thermalization" << std::endl;
+      	std::cout << GridLogHMC << "-- Thermalization" << std::endl;
       }
       
       double t0=usecond();
@@ -207,20 +254,19 @@ public:
       DeltaH = evolve_hmc_step(Ucopy);
       // Metropolis-Hastings test
       bool accept = true;
-      if (traj >= Params.StartTrajectory + Params.NoMetropolisUntil) {
+      if (Params.MetropolisTest && traj >= Params.StartTrajectory + Params.NoMetropolisUntil) {
         accept = metropolis_test(DeltaH);
       } else {
-      	std::cout << GridLogMessage << "Skipping Metropolis test" << std::endl;
+      	std::cout << GridLogHMC << "Skipping Metropolis test" << std::endl;
       }
 
       if (accept)
         Ucur = Ucopy; 
       
-     
-      
       double t1=usecond();
-      std::cout << GridLogMessage << "Total time for trajectory (s): " << (t1-t0)/1e6 << std::endl;
+      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;
@@ -228,7 +274,7 @@ public:
       	std::cout << GridLogDebug << "Observables pointer " << Observables[obs] << std::endl;
         Observables[obs]->TrajectoryComplete(traj + 1, Ucur, sRNG, pRNG);
       }
-      std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::::" << std::endl;
+      std::cout << GridLogHMC << ":::::::::::::::::::::::::::::::::::::::::::" << 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;
@@ -227,6 +244,9 @@ public:
   // Random number generators
   //////////////////////////////////////////////////////
   
+  //Return true if the RNG objects have been instantiated
+  bool haveRNGs() const{ return have_RNG; }
+
   void AddRNGs(std::string s = "") {
     // Couple the RNGs to the GridModule tagged by s
     // the default is the first grid registered

Grid/qcd/hmc/UsingHMC.md

@@ -1,61 +1,63 @@
-Using HMC in Grid version 0.5.1
+# Using HMC in Grid
 
-These are the instructions to use the Generalised HMC on Grid version 0.5.1.
+These are the instructions to use the Generalised HMC on Grid as of commit `749b802`.
-Disclaimer: GRID is still under active development so any information here can be changed in future releases.
+Disclaimer: Grid is still under active development so any information here can be changed in future releases.
 
 
-Command line options
+## Command line options
-===================
+
-(relevant file GenericHMCrunner.h)
+(relevant file `GenericHMCrunner.h`)
 The initial configuration can be changed at the command line using 
---StartType <your choice>
+`--StartingType STARTING_TYPE`, where `STARTING_TYPE` is one of
-valid choices, one among these
+`HotStart`, `ColdStart`, `TepidStart`, and `CheckpointStart`.
-HotStart, ColdStart, TepidStart, CheckpointStart
+Default: `--StartingType HotStart`
-default: HotStart
 
-example
+Example:
-./My_hmc_exec  --StartType HotStart
+```
+./My_hmc_exec  --StartingType HotStart
+```
 
-The CheckpointStart option uses the prefix for the configurations and rng seed files defined in your executable and the initial configuration is specified by
+The `CheckpointStart` option uses the prefix for the configurations and rng seed files defined in your executable and the initial configuration is specified by
---StartTrajectory <integer>
+`--StartingTrajectory STARTING_TRAJECTORY`, where `STARTING_TRAJECTORY` is an integer.
-default: 0
+Default: `--StartingTrajectory 0`
 
 The number of trajectories for a specific run are specified at command line by
---Trajectories <integer>
+`--Trajectories TRAJECTORIES`, where `TRAJECTORIES` is an integer.
-default: 1
+Default: `--Trajectories 1`
 
 The number of thermalization steps (i.e. steps when the Metropolis acceptance check is turned off) is specified by
---Thermalizations <integer>
+`--Thermalizations THERMALIZATIONS`, where `THERMALIZATIONS` is an integer.
-default: 10
+Default: `--Thermalizations 10`
-
 
 Any other parameter is defined in the source for the executable.
 
-HMC controls
+## HMC controls
-===========
 
 The lines 
 
+```
   std::vector<int> SerSeed({1, 2, 3, 4, 5});
   std::vector<int> ParSeed({6, 7, 8, 9, 10});
+```
 
 define the seeds for the serial and the parallel RNG.
 
 The line 
 
+```
   TheHMC.MDparameters.set(20, 1.0);// MDsteps, traj length
+```
 
 declares the number of molecular dynamics steps and the total trajectory length.
 
 
-Actions
+## Actions
-======
 
-Action names are defined in the file
+Action names are defined in the directory `Grid/qcd/action`.
-lib/qcd/Actions.h
 
-Gauge actions list:
+Gauge actions list (from `Grid/qcd/action/gauge/Gauge.h`):
 
+```
 WilsonGaugeActionR;
 WilsonGaugeActionF;
 WilsonGaugeActionD;
@@ -68,8 +70,9 @@ IwasakiGaugeActionD;
 SymanzikGaugeActionR;
 SymanzikGaugeActionF;
 SymanzikGaugeActionD;
+```
 
-
+```
 ConjugateWilsonGaugeActionR;
 ConjugateWilsonGaugeActionF;
 ConjugateWilsonGaugeActionD;
@@ -82,26 +85,23 @@ ConjugateIwasakiGaugeActionD;
 ConjugateSymanzikGaugeActionR;
 ConjugateSymanzikGaugeActionF;
 ConjugateSymanzikGaugeActionD;
+```
 
+Each of these action accepts one single parameter at creation time (beta).
+Example for creating a Symanzik action with beta=4.0
 
+```
+  SymanzikGaugeActionR(4.0)
+```
+
+Scalar actions list (from `Grid/qcd/action/scalar/Scalar.h`):
+
+```
 ScalarActionR;
 ScalarActionF;
 ScalarActionD;
+```
 
-
+The suffixes `R`, `F`, `D` in the action names refer to the `Real`
-each of these action accept one single parameter at creation time (beta).
+(the precision is defined at compile time by the `--enable-precision` flag in the configure),
-Example for creating a Symanzik action with beta=4.0
+`Float` and `Double`, that force the precision of the action to be 32, 64 bit respectively.
-
-	SymanzikGaugeActionR(4.0)
-
-The suffixes R,F,D in the action names refer to the Real
-(the precision is defined at compile time by the --enable-precision flag in the configure),
-Float and Double, that force the precision of the action to be 32, 64 bit respectively.
-
-
-
-
-
-
-
-

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;
 
@@ -119,36 +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());
+
-      std::cout << GridLogIntegrator << "["<<level<<"]["<<a<<"] Force average: " << force_abs << std::endl;
+      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 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;
+
       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) 
@@ -162,8 +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);
@@ -206,6 +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;
@@ -224,7 +310,6 @@ public:
       }
     }
     std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
-
   }
 
   void reverse_momenta()
@@ -267,15 +352,19 @@ 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
+	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
@@ -310,7 +399,9 @@ 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/utils/GaugeFix.h

@@ -55,12 +55,12 @@ public:
     }
   }  
 
-  static void SteepestDescentGaugeFix(GaugeLorentz &Umu,Real & alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1) {
+  static void SteepestDescentGaugeFix(GaugeLorentz &Umu,Real & alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1,bool err_on_no_converge=true) {
     GridBase *grid = Umu.Grid();
     GaugeMat xform(grid);
-    SteepestDescentGaugeFix(Umu,xform,alpha,maxiter,Omega_tol,Phi_tol,Fourier,orthog);
+    SteepestDescentGaugeFix(Umu,xform,alpha,maxiter,Omega_tol,Phi_tol,Fourier,orthog,err_on_no_converge);
   }
-  static void SteepestDescentGaugeFix(GaugeLorentz &Umu,GaugeMat &xform,Real & alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1) {
+  static void SteepestDescentGaugeFix(GaugeLorentz &Umu,GaugeMat &xform,Real & alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1,bool err_on_no_converge=true) {
 
     GridBase *grid = Umu.Grid();
 
@@ -122,6 +122,8 @@ public:
 
       }
     }
+    std::cout << GridLogError << "Gauge fixing did not converge in " << maxiter << " iterations." << std::endl;
+    if (err_on_no_converge) assert(0);
   };
   static Real SteepestDescentStep(std::vector<GaugeMat> &U,GaugeMat &xform,Real & alpha, GaugeMat & dmuAmu,int orthog) {
     GridBase *grid = U[0].Grid();

Grid/qcd/utils/WilsonLoops.h

@@ -125,7 +125,6 @@ public:
     return sumplaq / vol / faces / Nc; // Nd , Nc dependent... FIXME
   }
 
-
   //////////////////////////////////////////////////
   // average over all x,y,z the temporal loop
   //////////////////////////////////////////////////
@@ -165,7 +164,7 @@ public:
 
     double vol = Umu.Grid()->gSites();
 
-    return p.real() / vol / 4.0 / 3.0;
+    return p.real() / vol / (4.0 * Nc ) ;
   };
 
   //////////////////////////////////////////////////

Grid/stencil/SimpleCompressor.h

@@ -52,6 +52,11 @@ public:
     return arg;
   }
 };
+class SimpleStencilParams{
+public:
+  Coordinate dirichlet;
+  SimpleStencilParams() {};
+};
 
 NAMESPACE_END(Grid);
 

Grid/stencil/Stencil.h

@@ -133,6 +133,8 @@ class CartesianStencilAccelerator {
   int           _osites;
   StencilVector _directions;
   StencilVector _distances;
+  StencilVector _comms_send;
+  StencilVector _comms_recv;
   StencilVector _comm_buf_size;
   StencilVector _permute_type;
   StencilVector same_node;
@@ -226,6 +228,8 @@ public:
     void * recv_buf;
     Integer to_rank;
     Integer from_rank;
+    Integer do_send;
+    Integer do_recv;
     Integer bytes;
   };
   struct Merge {
@@ -240,7 +244,20 @@ 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 +288,8 @@ 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 +302,6 @@ 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
   ////////////////////////////////////////
@@ -322,8 +317,8 @@ public:
     int simd_layout     = _grid->_simd_layout[dimension];
     int comm_dim        = _grid->_processors[dimension] >1 ;
 
-    int recv_from_rank;
+    //    int recv_from_rank;
-    int xmit_to_rank;
+    //    int xmit_to_rank;
 
     if ( ! comm_dim ) return 1;
     if ( displacement == 0 ) return 1;
@@ -333,11 +328,12 @@ 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 +342,29 @@ 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],
+      _grid->StencilSendToRecvFromBegin(reqs[i],
 					Packets[i].send_buf,
-						     Packets[i].to_rank,
+					Packets[i].to_rank,Packets[i].do_send,
 					Packets[i].recv_buf,
-						     Packets[i].from_rank,
+					Packets[i].from_rank,Packets[i].do_recv,
 					Packets[i].bytes,i);
-      comms_bytes+=bytes;
-      shm_bytes  +=2*Packets[i].bytes-bytes;
     }
   }
 
@@ -413,7 +373,6 @@ 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 +380,27 @@ public:
   void Communicate(void)
   {
     if ( CartesianCommunicator::CommunicatorPolicy == CartesianCommunicator::CommunicatorPolicySequential ){
-      thread_region {
+      /////////////////////////////////////////////////////////
-	// must be called in parallel region
+      // several way threaded on different communicators.
-	int mythread  = thread_num();
+      // Cannot combine with Dirichlet operators
-	int maxthreads= thread_max();
+      // This scheme is needed on Intel Omnipath for best performance
+      // Deprecate once there are very few omnipath clusters
+      /////////////////////////////////////////////////////////
       int nthreads = CartesianCommunicator::nCommThreads;
-	assert(nthreads <= maxthreads);
+      int old = GridThread::GetThreads();
-	if (nthreads == -1) nthreads = 1;
+      GridThread::SetThreads(nthreads);
-	if (mythread < nthreads) {
+      thread_for(i,Packets.size(),{
-	  for (int i = mythread; i < Packets.size(); i += nthreads) {
+	  _grid->StencilSendToRecvFrom(Packets[i].send_buf,
-	    double start = usecond();
+				       Packets[i].to_rank,Packets[i].do_send,
-	    uint64_t bytes= _grid->StencilSendToRecvFrom(Packets[i].send_buf,
-							 Packets[i].to_rank,
 				       Packets[i].recv_buf,
-							 Packets[i].from_rank,
+				       Packets[i].from_rank,Packets[i].do_recv,
 				       Packets[i].bytes,i);
-	    comm_bytes_thr[mythread] += bytes;
+      });
-	    shm_bytes_thr[mythread]  += Packets[i].bytes - bytes;
+      GridThread::SetThreads(old);
-	    comm_time_thr[mythread]  += usecond() - start;
+    } else { 
-	  }
+      /////////////////////////////////////////////////////////
-	}
+      // Concurrent and non-threaded asynch calls to MPI
-      }
+      /////////////////////////////////////////////////////////
-    } else { // Concurrent and non-threaded asynch calls to MPI
       std::vector<std::vector<CommsRequest_t> > reqs;
       this->CommunicateBegin(reqs);
       this->CommunicateComplete(reqs);
@@ -484,31 +442,23 @@ 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,point);
-	  auto tmp  = GatherSimd(source,dimension,shift,0x3,compress,face_idx);
 	  is_same_node = is_same_node && tmp;
-	  splicetime+=usecond();
 	} else {
-	  nosplicetime-=usecond();
+	  auto tmp  = Gather(source,dimension,shift,0x3,compress,face_idx,point);
-	  auto tmp  = Gather(source,dimension,shift,0x3,compress,face_idx);
 	  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 tmp1 =  GatherSimd(source,dimension,shift,0x1,compress,face_idx,point);
-	  auto tmp2 =  GatherSimd(source,dimension,shift,0x2,compress,face_idx);
+	  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,point);
-	  auto tmp1 = Gather(source,dimension,shift,0x1,compress,face_idx);
+	  auto tmp2 = Gather(source,dimension,shift,0x2,compress,face_idx,point);
-	  auto tmp2 = Gather(source,dimension,shift,0x2,compress,face_idx);
 	  is_same_node = is_same_node && tmp1 && tmp2;
-	  nosplicetime+=usecond();
 	}
       }
     }
@@ -518,13 +468,10 @@ 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 +485,6 @@ public:
     assert(u_comm_offset==_unified_buffer_size);
 
     accelerator_barrier();
-    halogtime+=usecond();
   }
 
   /////////////////////////
@@ -551,14 +497,70 @@ 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)
+  {
+    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);
+
+      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)
+	     ){
+
+	AddCopy(CachedTransfers[i].recv_buf,recv_buf,bytes);
+	return 1;
+      }
+    }
+
+    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 +580,17 @@ 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) {
+  void CommsMerge(decompressor decompress,std::vector<Merge> &mm,std::vector<Decompress> &dd)
-
+  {
-    
-    mergetime-=usecond();
     for(int i=0;i<mm.size();i++){
       auto mp = &mm[i].mpointer[0];
       auto vp0= &mm[i].vpointers[0][0];
@@ -603,9 +600,7 @@ 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 +608,6 @@ public:
 	decompress.Decompress(kp,mp,o);
       });
     }
-    decompresstime+=usecond();
   }
   ////////////////////////////////////////
   // Set up routines
@@ -650,18 +644,54 @@ public:
       }
     }
   }
+  /// Introduce a block structure and switch off comms on boundaries
+  void DirichletBlock(const Coordinate &dirichlet_block)
+  {
+    for(int ii=0;ii<this->_npoints;ii++){
+      int dimension    = this->_directions[ii];
+      int displacement = this->_distances[ii];
+      int gd = _grid->_gdimensions[dimension];
+      int fd = _grid->_fdimensions[dimension];
+      int pd = _grid->_processors [dimension];
+      int pc = _grid->_processor_coor[dimension];
+      int ld = fd/pd;
+      ///////////////////////////////////////////
+      // 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 && comm_dim ) {
+	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)
   {
     face_table_computed=0;
     _grid    = grid;
@@ -675,8 +705,12 @@ 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);
 
+    if ( p.dirichlet.size() ) DirichletBlock(p.dirichlet); // comms send/recv set up
+
     _unified_buffer_size=0;
     surface_list.resize(0);
 
@@ -693,15 +727,16 @@ 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);
@@ -710,7 +745,6 @@ public:
       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 +845,7 @@ 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];
@@ -867,25 +902,32 @@ 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 ) {
 
 	int permute_slice=0;
 	CopyPlane(point,dimension,x,sx,cbmask,permute_slice,wraparound);
 	
       } else {
 
+	if ( comms_recv==0 ) {
+
+	  int permute_slice=1;
+	  CopyPlane(point,dimension,x,sx,cbmask,permute_slice,wraparound);
+
+	} else { 
+
+	  ScatterPlane(point,dimension,x,cbmask,_unified_buffer_size,wraparound); // permute/extract/merge is done in comms phase
+
+	}
+
+      }
+      
+      if ( offnode ) {
 	int words = buffer_size;
 	if (cbmask != 0x3) words=words>>1;
-
-	//	int rank           = grid->_processor;
-	//	int recv_from_rank;
-	//	int xmit_to_rank;
-
-	int unified_buffer_offset = _unified_buffer_size;
 	_unified_buffer_size    += words;
-
-	ScatterPlane(point,dimension,x,cbmask,unified_buffer_offset,wraparound); // permute/extract/merge is done in comms phase
-
       }
     }
   }
@@ -984,11 +1026,14 @@ 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());
 
@@ -1020,69 +1065,84 @@ public:
 	int bytes =  words * compress.CommDatumSize();
 
 	int so  = sx*rhs.Grid()->_ostride[dimension]; // base offset for start of plane
+	int comm_off = u_comm_offset;
+
+	int recv_from_rank;
+	int xmit_to_rank;
+	cobj *recv_buf;
+	cobj *send_buf;
+	_grid->ShiftedRanks(dimension,comm_proc,xmit_to_rank,recv_from_rank);
+
+	assert (xmit_to_rank   != _grid->ThisRank());
+	assert (recv_from_rank != _grid->ThisRank());
+
+	if( comms_send ) {
+
 	  if ( !face_table_computed ) {
 	    face_table.resize(face_idx+1);
 	    std::vector<std::pair<int,int> >  face_table_host ;
-	  Gather_plane_table_compute ((GridBase *)_grid,dimension,sx,cbmask,u_comm_offset,face_table_host);
+	    Gather_plane_table_compute ((GridBase *)_grid,dimension,sx,cbmask,comm_off,face_table_host);
 	    face_table[face_idx].resize(face_table_host.size());
 	    acceleratorCopyToDevice(&face_table_host[0],
 				    &face_table[face_idx][0],
 				    face_table[face_idx].size()*sizeof(face_table_host[0]));
 	  }
 
-	//      	int rank           = _grid->_processor;
-	int recv_from_rank;
-	int xmit_to_rank;
-	_grid->ShiftedRanks(dimension,comm_proc,xmit_to_rank,recv_from_rank);
 
-	assert (xmit_to_rank   != _grid->ThisRank());
-	assert (recv_from_rank != _grid->ThisRank());
-
-	cobj *recv_buf;
 	  if ( compress.DecompressionStep() ) {
 	    recv_buf=u_simd_recv_buf[0];
 	  } else {
 	    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();
+	  Gather_plane_simple_table(face_table[face_idx],rhs,send_buf,compress,comm_off,so);
+	}
+
+	int duplicate = CheckForDuplicate(dimension,sx,comm_proc,(void *)&recv_buf[comm_off],0,bytes,cbmask);
+	if ( (!duplicate) ) { // Force comms for now
 
 	  ///////////////////////////////////////////////////////////
 	  // Build a list of things to do after we synchronise GPUs
 	  // Start comms now???
 	  ///////////////////////////////////////////////////////////
-	AddPacket((void *)&send_buf[u_comm_offset],
+	  AddPacket((void *)&send_buf[comm_off],
-		  (void *)&recv_buf[u_comm_offset],
+		    (void *)&recv_buf[comm_off],
-		  xmit_to_rank,
+		    xmit_to_rank, comms_send,
-		  recv_from_rank,
+		    recv_from_rank, comms_recv,
 		    bytes);
+	}
 	
-	if ( compress.DecompressionStep() ) {
+	if ( compress.DecompressionStep()  && comms_recv ) {
-	  AddDecompress(&this->u_recv_buf_p[u_comm_offset],
+	  AddDecompress(&this->u_recv_buf_p[comm_off],
-			&recv_buf[u_comm_offset],
+			&recv_buf[comm_off],
 			words,Decompressions);
 	}
+	
 	u_comm_offset+=words;
+	face_idx++;
+
       }
     }
     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];
@@ -1097,7 +1157,6 @@ public:
 
 
     int permute_type=_grid->PermuteType(dimension);
-    //    std::cout << "SimdNew permute type "<<permute_type<<std::endl;
 
     ///////////////////////////////////////////////
     // Simd direction uses an extract/merge pair
@@ -1131,8 +1190,9 @@ public:
 
       if ( any_offnode ) {
 
+	int comm_off = u_comm_offset;
 	for(int i=0;i<maxl;i++){
-	  spointers[i] = (cobj *) &u_simd_send_buf[i][u_comm_offset];
+	  spointers[i] = (cobj *) &u_simd_send_buf[i][comm_off];
 	}
 
 	int sx   = (x+sshift)%rd;
@@ -1141,18 +1201,17 @@ public:
 	  face_table.resize(face_idx+1);
 	  std::vector<std::pair<int,int> >  face_table_host ;
 				
-	  Gather_plane_table_compute ((GridBase *)_grid,dimension,sx,cbmask,u_comm_offset,face_table_host);
+	  Gather_plane_table_compute ((GridBase *)_grid,dimension,sx,cbmask,comm_off,face_table_host);
 	  face_table[face_idx].resize(face_table_host.size());
 	  acceleratorCopyToDevice(&face_table_host[0],
 				  &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
 
@@ -1169,8 +1228,8 @@ public:
 	  int nbr_plane = nbr_ic;
 	  assert (sx == nbr_ox);
 
-	  auto rp = &u_simd_recv_buf[i        ][u_comm_offset];
+	  auto rp = &u_simd_recv_buf[i        ][comm_off];
-	  auto sp = &u_simd_send_buf[nbr_plane][u_comm_offset];
+	  auto sp = &u_simd_send_buf[nbr_plane][comm_off];
 
 	  if(nbr_proc){
 
@@ -1181,8 +1240,13 @@ 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 {
 
@@ -1191,9 +1255,12 @@ public:
 	  }
 	}
 
-	AddMerge(&this->u_recv_buf_p[u_comm_offset],rpointers,reduced_buffer_size,permute_type,Mergers);
+	if ( comms_recv ) {
+	  AddMerge(&this->u_recv_buf_p[comm_off],rpointers,reduced_buffer_size,permute_type,Mergers);
+	}
 
 	u_comm_offset     +=buffer_size;
+
       }
     }
     return 0;

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_traits.h

@@ -47,20 +47,20 @@ NAMESPACE_BEGIN(Grid);
   class TypePair {
   public:
     T _internal[2];
-    TypePair<T>& operator=(const Grid::Zero& o) {
+    accelerator TypePair<T>& operator=(const Grid::Zero& o) {
       _internal[0] = Zero();
       _internal[1] = Zero();
       return *this;
     }
 
-    TypePair<T> operator+(const TypePair<T>& o) const {
+    accelerator TypePair<T> operator+(const TypePair<T>& o) const {
       TypePair<T> r;
       r._internal[0] = _internal[0] + o._internal[0];
       r._internal[1] = _internal[1] + o._internal[1];
       return r;
     }
 
-    TypePair<T>& operator+=(const TypePair<T>& o) {
+    accelerator TypePair<T>& operator+=(const TypePair<T>& o) {
       _internal[0] += o._internal[0];
       _internal[1] += o._internal[1];
       return *this;

Grid/threads/Accelerator.cc

@@ -74,29 +74,43 @@ void acceleratorInit(void)
       //      GPU_PROP(singleToDoublePrecisionPerfRatio);
     }
   }
+
   MemoryManager::DeviceMaxBytes = (8*totalDeviceMem)/10; // Assume 80% ours
 #undef GPU_PROP_FMT    
 #undef GPU_PROP
 
 #ifdef GRID_DEFAULT_GPU
+  int device = 0;
   // IBM Jsrun makes cuda Device numbering screwy and not match rank
   if ( world_rank == 0 ) {
     printf("AcceleratorCudaInit: using default device \n");
-    printf("AcceleratorCudaInit: assume user either uses a) IBM jsrun, or \n");
+    printf("AcceleratorCudaInit: assume user either uses\n");
+    printf("AcceleratorCudaInit: a) IBM jsrun, or \n");
     printf("AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding \n");
     printf("AcceleratorCudaInit: Configure options --enable-setdevice=no \n");
   }
 #else
+  int device = rank;
   printf("AcceleratorCudaInit: rank %d setting device to node rank %d\n",world_rank,rank);
   printf("AcceleratorCudaInit: Configure options --enable-setdevice=yes \n");
-  cudaSetDevice(rank);
 #endif
+
+  cudaSetDevice(device);
+  cudaStreamCreate(&copyStream);
+  const int len=64;
+  char busid[len];
+  if( rank == world_rank ) { 
+    cudaDeviceGetPCIBusId(busid, len, device);
+    printf("local rank %d device %d bus id: %s\n", rank, device, busid);
+  }
+
   if ( world_rank == 0 )  printf("AcceleratorCudaInit: ================================================\n");
 }
 #endif
 
 #ifdef GRID_HIP
 hipDeviceProp_t *gpu_props;
+hipStream_t copyStream;
 void acceleratorInit(void)
 {
   int nDevices = 1;
@@ -154,16 +168,25 @@ void acceleratorInit(void)
 #ifdef GRID_DEFAULT_GPU
   if ( world_rank == 0 ) {
     printf("AcceleratorHipInit: using default device \n");
-    printf("AcceleratorHipInit: assume user either uses a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding \n");
+    printf("AcceleratorHipInit: assume user or srun sets ROCR_VISIBLE_DEVICES and numa binding \n");
-    printf("AcceleratorHipInit: Configure options --enable-summit, --enable-select-gpu=no \n");
+    printf("AcceleratorHipInit: Configure options --enable-setdevice=no \n");
   }
+  int device = 0;
 #else
   if ( world_rank == 0 ) {
     printf("AcceleratorHipInit: rank %d setting device to node rank %d\n",world_rank,rank);
-    printf("AcceleratorHipInit: Configure options --enable-select-gpu=yes \n");
+    printf("AcceleratorHipInit: Configure options --enable-setdevice=yes \n");
   }
-  hipSetDevice(rank);
+  int device = rank;
 #endif
+  hipSetDevice(device);
+  hipStreamCreate(&copyStream);
+  const int len=64;
+  char busid[len];
+  if( rank == world_rank ) { 
+    hipDeviceGetPCIBusId(busid, len, device);
+    printf("local rank %d device %d bus id: %s\n", rank, device, busid);
+  }
   if ( world_rank == 0 )  printf("AcceleratorHipInit: ================================================\n");
 }
 #endif

Grid/threads/Accelerator.h

@@ -95,6 +95,7 @@ void     acceleratorInit(void);
 //////////////////////////////////////////////
 
 #ifdef GRID_CUDA
+
 #include <cuda.h>
 
 #ifdef __CUDA_ARCH__
@@ -115,6 +116,14 @@ accelerator_inline int acceleratorSIMTlane(int Nsimd) {
 #endif
 } // CUDA specific
 
+inline void cuda_mem(void)
+{
+  size_t free_t,total_t,used_t;
+  cudaMemGetInfo(&free_t,&total_t);
+  used_t=total_t-free_t;
+  std::cout << " MemoryManager : GPU used "<<used_t<<" free "<<free_t<< " total "<<total_t<<std::endl;
+}
+
 #define accelerator_for2dNB( iter1, num1, iter2, num2, nsimd, ... )	\
   {									\
     int nt=acceleratorThreads();					\
@@ -221,6 +230,7 @@ inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes
   cudaMemcpyAsync(to,from,bytes, cudaMemcpyDeviceToDevice,copyStream);
 }
 inline void acceleratorCopySynchronise(void) { cudaStreamSynchronize(copyStream); };
+
 inline int  acceleratorIsCommunicable(void *ptr)
 {
   //  int uvm=0;
@@ -297,7 +307,7 @@ inline void acceleratorFreeDevice(void *ptr){free(ptr,*theGridAccelerator);};
 inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  {
   theGridAccelerator->memcpy(to,from,bytes);
 }
-inline void acceleratorCopySynchronise(void) {  theGridAccelerator->wait(); }
+inline void acceleratorCopySynchronise(void) {  theGridAccelerator->wait(); std::cout<<"acceleratorCopySynchronise() wait "<<std::endl; }
 inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { theGridAccelerator->memcpy(to,from,bytes); theGridAccelerator->wait();}
 inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ theGridAccelerator->memcpy(to,from,bytes); theGridAccelerator->wait();}
 inline void acceleratorMemSet(void *base,int value,size_t bytes) { theGridAccelerator->memset(base,value,bytes); theGridAccelerator->wait();}
@@ -328,10 +338,11 @@ NAMESPACE_BEGIN(Grid);
 #define accelerator        __host__ __device__
 #define accelerator_inline __host__ __device__ inline
 
+extern hipStream_t copyStream;
 /*These routines define mapping from thread grid to loop & vector lane indexing */
 accelerator_inline int acceleratorSIMTlane(int Nsimd) {
 #ifdef GRID_SIMT
-  return hipThreadIdx_z; 
+  return hipThreadIdx_x; 
 #else
   return 0;
 #endif
@@ -345,19 +356,41 @@ accelerator_inline int acceleratorSIMTlane(int Nsimd) {
       { __VA_ARGS__;}							\
     };									\
     int nt=acceleratorThreads();					\
-    dim3 hip_threads(nt,1,nsimd);					\
+    dim3 hip_threads(nsimd, nt, 1);					 \
     dim3 hip_blocks ((num1+nt-1)/nt,num2,1); \
+    if(hip_threads.x * hip_threads.y * hip_threads.z <= 64){ \
+      hipLaunchKernelGGL(LambdaApply64,hip_blocks,hip_threads,		\
+            0,0,						\
+            num1,num2,nsimd, lambda);				\
+    } else { \
       hipLaunchKernelGGL(LambdaApply,hip_blocks,hip_threads,		\
             0,0,						\
-		       num1,num2,nsimd,lambda);				\
+            num1,num2,nsimd, lambda);				\
+    } \
   }
 
+
 template<typename lambda>  __global__
+__launch_bounds__(64,1)
+void LambdaApply64(uint64_t numx, uint64_t numy, uint64_t numz, lambda Lambda)
+{
+  // Following the same scheme as CUDA for now
+  uint64_t x = threadIdx.y + blockDim.y*blockIdx.x;
+  uint64_t y = threadIdx.z + blockDim.z*blockIdx.y;
+  uint64_t z = threadIdx.x;
+  if ( (x < numx) && (y<numy) && (z<numz) ) {
+    Lambda(x,y,z);
+  }
+}
+
+template<typename lambda>  __global__
+__launch_bounds__(1024,1)
 void LambdaApply(uint64_t numx, uint64_t numy, uint64_t numz, lambda Lambda)
 {
-  uint64_t x = hipThreadIdx_x + hipBlockDim_x*hipBlockIdx_x;
+  // Following the same scheme as CUDA for now
-  uint64_t y = hipThreadIdx_y + hipBlockDim_y*hipBlockIdx_y;
+  uint64_t x = threadIdx.y + blockDim.y*blockIdx.x;
-  uint64_t z = hipThreadIdx_z ;//+ hipBlockDim_z*hipBlockIdx_z;
+  uint64_t y = threadIdx.z + blockDim.z*blockIdx.y;
+  uint64_t z = threadIdx.x;
   if ( (x < numx) && (y<numy) && (z<numz) ) {
     Lambda(x,y,z);
   }
@@ -402,10 +435,16 @@ inline void acceleratorFreeShared(void *ptr){ hipFree(ptr);};
 inline void acceleratorFreeDevice(void *ptr){ hipFree(ptr);};
 inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { hipMemcpy(to,from,bytes, hipMemcpyHostToDevice);}
 inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ hipMemcpy(to,from,bytes, hipMemcpyDeviceToHost);}
-inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  { hipMemcpy(to,from,bytes, hipMemcpyDeviceToDevice);}
+//inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  { hipMemcpy(to,from,bytes, hipMemcpyDeviceToDevice);}
-inline void acceleratorCopySynchronise(void) {  }
+//inline void acceleratorCopySynchronise(void) {  }
 inline void acceleratorMemSet(void *base,int value,size_t bytes) { hipMemset(base,value,bytes);}
 
+inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes) // Asynch
+{
+  hipMemcpy(to,from,bytes, hipMemcpyDeviceToDevice);
+}
+inline void acceleratorCopySynchronise(void) { hipStreamSynchronize(copyStream); };
+
 #endif
 
 //////////////////////////////////////////////
@@ -422,6 +461,8 @@ inline void acceleratorMemSet(void *base,int value,size_t bytes) { hipMemset(bas
   accelerator_for2dNB(iter1, num1, iter2, num2, nsimd, { __VA_ARGS__ } ); \
   accelerator_barrier(dummy);
 
+#define GRID_ACCELERATED
+
 #endif
 
 //////////////////////////////////////////////
@@ -442,9 +483,10 @@ inline void acceleratorMemSet(void *base,int value,size_t bytes) { hipMemset(bas
 #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 acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { thread_bcopy(from,to,bytes); }
-inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  { memcpy(to,from,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; }
@@ -476,18 +518,12 @@ inline void acceleratorFreeCpu  (void *ptr){free(ptr);};
 ///////////////////////////////////////////////////
 // Synchronise across local threads for divergence resynch
 ///////////////////////////////////////////////////
-accelerator_inline void acceleratorSynchronise(void) 
+accelerator_inline void acceleratorSynchronise(void)  // Only Nvidia needs 
 {
 #ifdef GRID_SIMT
 #ifdef GRID_CUDA
   __syncwarp();
 #endif
-#ifdef GRID_SYCL
-  //cl::sycl::detail::workGroupBarrier();
-#endif
-#ifdef GRID_HIP
-  __syncthreads();
-#endif
 #endif
   return;
 }

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

Grid/util/Coordinate.h

@@ -88,7 +88,7 @@ public:
 // Coordinate class, maxdims = 8 for now.
 ////////////////////////////////////////////////////////////////
 #define GRID_MAX_LATTICE_DIMENSION (8)
-#define GRID_MAX_SIMD              (16)
+#define GRID_MAX_SIMD              (32)
 
 static constexpr int MaxDims = GRID_MAX_LATTICE_DIMENSION;
 

Grid/util/Init.cc

@@ -167,6 +167,13 @@ void GridCmdOptionInt(std::string &str,int & val)
   return;
 }
 
+void GridCmdOptionFloat(std::string &str,float & val)
+{
+  std::stringstream ss(str);
+  ss>>val;
+  return;
+}
+
 
 void GridParseLayout(char **argv,int argc,
 		     Coordinate &latt_c,
@@ -527,6 +534,7 @@ void Grid_init(int *argc,char ***argv)
 void Grid_finalize(void)
 {
 #if defined (GRID_COMMS_MPI) || defined (GRID_COMMS_MPI3) || defined (GRID_COMMS_MPIT)
+  MPI_Barrier(MPI_COMM_WORLD);
   MPI_Finalize();
   Grid_unquiesce_nodes();
 #endif

Grid/util/Init.h

@@ -57,6 +57,7 @@ void GridCmdOptionCSL(std::string str,std::vector<std::string> & vec);
 template<class VectorInt>
 void GridCmdOptionIntVector(const std::string &str,VectorInt & vec);
 void GridCmdOptionInt(std::string &str,int & val);
+void GridCmdOptionFloat(std::string &str,float & val);
 
 
 void GridParseLayout(char **argv,int argc,

HMC/Mobius2p1f_DD_RHMC.cc

@@ -0,0 +1,232 @@
+/*************************************************************************************
+
+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  = 8;
+  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_EODWF_lat";
+  CPparams.rng_prefix    = "ckpoint_EODWF_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;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.04;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD b   = 1.0;
+  RealD c   = 0.0;
+
+  // FIXME:
+  // Same in MC and MD
+  // Need to mix precision too
+  OneFlavourRationalParams OFRp;
+  OFRp.lo       = 4.0e-3;
+  OFRp.hi       = 30.0;
+  OFRp.MaxIter  = 10000;
+  OFRp.tolerance= 1.0e-10;
+  OFRp.degree   = 16;
+  OFRp.precision= 50;
+
+  std::vector<Real> hasenbusch({ 0.01, 0.04, 0.2 , pv_mass });
+  std::vector<bool> dirichlet ({ true, true, true });
+
+  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];
+  TheHMC.Resources.SetMomentumFilter(new DDHMCFilter<WilsonImplR::Field>(Block4));
+
+  //////////////////////////
+  // 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-10;
+  double MaxCGIterations = 30000;
+  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(2);
+  ActionLevel<HMCWrapper::Field> Level3(8);
+
+  ////////////////////////////////////
+  // 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);
+
+  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> StrangePseudoFermion(StrangePauliVillarsOp,StrangeOp,OFRp);
+  //  Level1.push_back(&StrangePseudoFermion);
+
+  ////////////////////////////////////
+  // 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]);
+    light_num.push_back(hasenbusch[h]);
+    dirichlet_num.push_back(1);
+    dirichlet_den.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;
+  
+  for(int h=0;h<n_hasenbusch+1;h++){
+    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h]<< " (" << dirichlet_num[h]
+	      <<") / " << light_den[h]<< " (" << dirichlet_den[h]<<")"<< std::endl;
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+    Quotients.push_back   (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
+    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(Quotients[0]);
+  Level1.push_back(Quotients[nquo-1]);
+  for(int h=1;h<nquo-1;h++){
+    Level2.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level3.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  TheHMC.TheAction.push_back(Level3);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+  /////////////////////////////////////////////////////////////
+
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

benchmarks/Benchmark_IO.cc

@@ -137,7 +137,7 @@ int main (int argc, char ** argv)
 
   Eigen::MatrixXd mean(nVol, 4), stdDev(nVol, 4), rob(nVol, 4);
   Eigen::VectorXd avMean(4), avStdDev(4), avRob(4);
-  double          n = BENCH_IO_NPASS;
+  //  double          n = BENCH_IO_NPASS;
 
   stats(mean, stdDev, perf);
   stats(avMean, avStdDev, avPerf);
@@ -164,7 +164,7 @@ int main (int argc, char ** argv)
                 mean(volInd(l), gWrite), stdDev(volInd(l), gWrite));
   }
   MSG << std::endl;
-  MSG << "Robustness of individual results, in \%. (rob = 100\% - std dev / mean)" << std::endl;
+  MSG << "Robustness of individual results, in %. (rob = 100% - std dev / mean)" << std::endl;
   MSG << std::endl;
   grid_printf("%4s %12s %12s %12s %12s\n",
               "L", "std read", "std write", "Grid read", "Grid write");
@@ -185,7 +185,7 @@ int main (int argc, char ** argv)
               avMean(sRead), avStdDev(sRead), avMean(sWrite), avStdDev(sWrite),
               avMean(gRead), avStdDev(gRead), avMean(gWrite), avStdDev(gWrite));
   MSG << std::endl;
-  MSG << "Robustness of volume-averaged results, in \%. (rob = 100\% - std dev / mean)" << std::endl;
+  MSG << "Robustness of volume-averaged results, in %. (rob = 100% - std dev / mean)" << std::endl;
   MSG << std::endl;
   grid_printf("%12s %12s %12s %12s\n",
               "std read", "std write", "Grid read", "Grid write");