Debug code

Grid/Makefile.am

@@ -66,10 +66,6 @@ if BUILD_FERMION_REPS
   extra_sources+=$(ADJ_FERMION_FILES)
   extra_sources+=$(TWOIND_FERMION_FILES)
 endif
-if BUILD_SP
-    extra_sources+=$(SP_FERMION_FILES)
-    extra_sources+=$(SP_TWOIND_FERMION_FILES)
-endif
 
 lib_LIBRARIES = libGrid.a
 

Grid/algorithms/LinearOperator.h

@@ -460,53 +460,6 @@ class NonHermitianSchurDiagTwoOperator : public NonHermitianSchurOperatorBase<Fi
   }
 };
 
-template<class Matrix,class Field>
-class QuadLinearOperator : public LinearOperatorBase<Field> {
-  Matrix &_Mat;
-public:
-  RealD a0,a1,a2;
-  QuadLinearOperator(Matrix &Mat): _Mat(Mat),a0(0.),a1(0.),a2(1.) {};
-  QuadLinearOperator(Matrix &Mat, RealD _a0,RealD _a1,RealD _a2): _Mat(Mat),a0(_a0),a1(_a1),a2(_a2) {};
-  // Support for coarsening to a multigrid
-  void OpDiag (const Field &in, Field &out) {
-    assert(0);
-    _Mat.Mdiag(in,out);
-  }
-  void OpDir  (const Field &in, Field &out,int dir,int disp) {
-    assert(0);
-    _Mat.Mdir(in,out,dir,disp);
-  }
-  void OpDirAll  (const Field &in, std::vector<Field> &out){
-    assert(0);
-    _Mat.MdirAll(in,out);
-  }
-  void HermOp (const Field &in, Field &out){
-//    _Mat.M(in,out);
-    Field tmp1(in.Grid());
-//    Linop.HermOpAndNorm(psi, mmp, d, b);
-    _Mat.M(in,tmp1);
-    _Mat.M(tmp1,out);
-    out *= a2;
-    axpy(out, a1, tmp1, out);
-    axpy(out, a0, in, out);
-//    d=real(innerProduct(psi,mmp));
-//    b=norm2(mmp);
-  }
-  void AdjOp     (const Field &in, Field &out){
-    assert(0);
-    _Mat.M(in,out);
-  }
-  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-    HermOp(in,out);
-    ComplexD dot= innerProduct(in,out); n1=real(dot);
-    n2=norm2(out);
-  }
-  void Op(const Field &in, Field &out){
-    assert(0);
-    _Mat.M(in,out);
-  }
-};
-
 ///////////////////////////////////////////////////////////////////////////////////////////////////
 // Left  handed Moo^-1 ; (Moo - Moe Mee^-1 Meo) psi = eta  -->  ( 1 - Moo^-1 Moe Mee^-1 Meo ) psi = Moo^-1 eta
 // Right handed Moo^-1 ; (Moo - Moe Mee^-1 Meo) Moo^-1 Moo psi = eta  -->  ( 1 - Moe Mee^-1 Meo Moo^-1) phi=eta ; psi = Moo^-1 phi

Grid/algorithms/approx/Forecast.h

@@ -36,12 +36,11 @@ NAMESPACE_BEGIN(Grid);
 // Abstract base class.
 // Takes a matrix (Mat), a source (phi), and a vector of Fields (chi)
 // and returns a forecasted solution to the system D*psi = phi (psi).
-// Changing to operator
+template<class Matrix, class Field>
-template<class LinearOperatorBase, class Field>
 class Forecast
 {
 public:
-  virtual Field operator()(LinearOperatorBase &Mat, const Field& phi, const std::vector<Field>& chi) = 0;
+  virtual Field operator()(Matrix &Mat, const Field& phi, const std::vector<Field>& chi) = 0;
 };
 
 // Implementation of Brower et al.'s chronological inverter (arXiv:hep-lat/9509012),
@@ -55,13 +54,13 @@ public:
   Field operator()(Matrix &Mat, const Field& phi, const std::vector<Field>& prev_solns)
   {
     int degree = prev_solns.size();
-    std::cout << GridLogMessage << "ChronoForecast: degree= " << degree << std::endl;
     Field chi(phi); // forecasted solution
 
     // Trivial cases
     if(degree == 0){ chi = Zero(); return chi; }
     else if(degree == 1){ return prev_solns[0]; }
 
+    //    RealD dot;
     ComplexD xp;
     Field r(phi); // residual
     Field Mv(phi);
@@ -84,9 +83,8 @@ public:
     // Perform sparse matrix multiplication and construct rhs
     for(int i=0; i<degree; i++){
       b[i] = innerProduct(v[i],phi);
-//      Mat.M(v[i],Mv);
+      Mat.M(v[i],Mv);
-//      Mat.Mdag(Mv,MdagMv[i]);
+      Mat.Mdag(Mv,MdagMv[i]);
-      Mat.HermOp(v[i],MdagMv[i]);
       G[i][i] = innerProduct(v[i],MdagMv[i]);
     }
 

Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h

@@ -419,15 +419,14 @@ until convergence
 	}
       }
 
-      if ( Nconv < Nstop ) {
+      if ( Nconv < Nstop )
 	std::cout << GridLogIRL << "Nconv ("<<Nconv<<") < Nstop ("<<Nstop<<")"<<std::endl;
-	std::cout << GridLogIRL << "returning Nstop vectors, the last "<< Nstop-Nconv << "of which might meet convergence criterion only approximately" <<std::endl;
+
-      }
       eval=eval2;
       
       //Keep only converged
-      eval.resize(Nstop);// was Nconv
+      eval.resize(Nconv);// Nstop?
-      evec.resize(Nstop,grid);// was Nconv
+      evec.resize(Nconv,grid);// Nstop?
       basisSortInPlace(evec,eval,reverse);
       
     }

Grid/communicator/SharedMemoryMPI.cc

@@ -27,7 +27,7 @@ Author: Christoph Lehner <christoph@lhnr.de>
 *************************************************************************************/
 /*  END LEGAL */
 
-#define Mheader "SharedMemoryMpi: "
+#define header "SharedMemoryMpi: "
 
 #include <Grid/GridCore.h>
 #include <pwd.h>
@@ -174,8 +174,8 @@ void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
   MPI_Comm_size(WorldShmComm     ,&WorldShmSize);
 
   if ( WorldRank == 0) {
-    std::cout << Mheader " World communicator of size " <<WorldSize << std::endl;  
+    std::cout << header " World communicator of size " <<WorldSize << std::endl;  
-    std::cout << Mheader " Node  communicator of size " <<WorldShmSize << std::endl;
+    std::cout << header " Node  communicator of size " <<WorldShmSize << std::endl;
   }
   // WorldShmComm, WorldShmSize, WorldShmRank
 
@@ -452,7 +452,7 @@ void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &proce
 #ifdef GRID_MPI3_SHMGET
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " shmget implementation "<<std::endl;
+  std::cout << header "SharedMemoryAllocate "<< bytes<< " shmget implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
 
@@ -537,7 +537,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     exit(EXIT_FAILURE);  
   }
 
-  std::cout << WorldRank << Mheader " SharedMemoryMPI.cc acceleratorAllocDevice "<< bytes 
+  std::cout << WorldRank << header " SharedMemoryMPI.cc acceleratorAllocDevice "<< bytes 
 	    << "bytes at "<< std::hex<< ShmCommBuf <<std::dec<<" for comms buffers " <<std::endl;
 
   SharedMemoryZero(ShmCommBuf,bytes);
@@ -580,7 +580,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     exit(EXIT_FAILURE);  
   }
   if ( WorldRank == 0 ){
-    std::cout << WorldRank << Mheader " SharedMemoryMPI.cc acceleratorAllocDevice "<< bytes 
+    std::cout << WorldRank << header " SharedMemoryMPI.cc acceleratorAllocDevice "<< bytes 
 	      << "bytes at "<< std::hex<< ShmCommBuf << " - "<<(bytes-1+(uint64_t)ShmCommBuf) <<std::dec<<" for comms buffers " <<std::endl;
   }
   SharedMemoryZero(ShmCommBuf,bytes);
@@ -604,8 +604,8 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 #ifdef GRID_SYCL_LEVEL_ZERO_IPC
     typedef struct { int fd; pid_t pid ; ze_ipc_mem_handle_t ze; } clone_mem_t;
 
-    auto zeDevice    = cl::sycl::get_native<cl::sycl::backend::ext_oneapi_level_zero>(theGridAccelerator->get_device());
+    auto zeDevice    = cl::sycl::get_native<cl::sycl::backend::level_zero>(theGridAccelerator->get_device());
-    auto zeContext   = cl::sycl::get_native<cl::sycl::backend::ext_oneapi_level_zero>(theGridAccelerator->get_context());
+    auto zeContext   = cl::sycl::get_native<cl::sycl::backend::level_zero>(theGridAccelerator->get_context());
       
     ze_ipc_mem_handle_t ihandle;
     clone_mem_t handle;
@@ -744,7 +744,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 #ifdef GRID_MPI3_SHMMMAP
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<< GRID_SHM_PATH <<std::endl;
+  std::cout << header "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<< GRID_SHM_PATH <<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
   //////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -781,7 +781,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     assert(((uint64_t)ptr&0x3F)==0);
     close(fd);
     WorldShmCommBufs[r] =ptr;
-    //    std::cout << Mheader "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
+    //    std::cout << header "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
   }
   _ShmAlloc=1;
   _ShmAllocBytes  = bytes;
@@ -791,7 +791,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 #ifdef GRID_MPI3_SHM_NONE
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " MMAP anonymous implementation "<<std::endl;
+  std::cout << header "SharedMemoryAllocate "<< bytes<< " MMAP anonymous implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
   //////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -838,7 +838,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 ////////////////////////////////////////////////////////////////////////////////////////////
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 { 
-  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " SHMOPEN implementation "<<std::endl;
+  std::cout << header "SharedMemoryAllocate "<< bytes<< " SHMOPEN implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0); 
   MPI_Barrier(WorldShmComm);

Grid/lattice/Lattice.h

@@ -47,4 +47,3 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/lattice/Lattice_transfer.h>
 #include <Grid/lattice/Lattice_basis.h>
 #include <Grid/lattice/Lattice_crc.h>
-#include <Grid/lattice/PaddedCell.h>

Grid/lattice/Lattice_ET.h

@@ -345,9 +345,7 @@ GridUnopClass(UnaryNot, Not(a));
 GridUnopClass(UnaryTrace, trace(a));
 GridUnopClass(UnaryTranspose, transpose(a));
 GridUnopClass(UnaryTa, Ta(a));
-GridUnopClass(UnarySpTa, SpTa(a));
 GridUnopClass(UnaryProjectOnGroup, ProjectOnGroup(a));
-GridUnopClass(UnaryProjectOnSpGroup, ProjectOnSpGroup(a));
 GridUnopClass(UnaryTimesI, timesI(a));
 GridUnopClass(UnaryTimesMinusI, timesMinusI(a));
 GridUnopClass(UnaryAbs, abs(a));
@@ -458,9 +456,7 @@ GRID_DEF_UNOP(operator!, UnaryNot);
 GRID_DEF_UNOP(trace, UnaryTrace);
 GRID_DEF_UNOP(transpose, UnaryTranspose);
 GRID_DEF_UNOP(Ta, UnaryTa);
-GRID_DEF_UNOP(SpTa, UnarySpTa);
 GRID_DEF_UNOP(ProjectOnGroup, UnaryProjectOnGroup);
-GRID_DEF_UNOP(ProjectOnSpGroup, UnaryProjectOnSpGroup);
 GRID_DEF_UNOP(timesI, UnaryTimesI);
 GRID_DEF_UNOP(timesMinusI, UnaryTimesMinusI);
 GRID_DEF_UNOP(abs, UnaryAbs);  // abs overloaded in cmath C++98; DON'T do the

Grid/lattice/Lattice_trace.h

@@ -66,65 +66,6 @@ inline auto TraceIndex(const Lattice<vobj> &lhs) -> Lattice<decltype(traceIndex<
   return ret;
 };
 
-template<int N, class Vec>
-Lattice<iScalar<iScalar<iScalar<Vec> > > > Determinant(const Lattice<iScalar<iScalar<iMatrix<Vec, N> > > > &Umu)
-{
-  GridBase *grid=Umu.Grid();
-  auto lvol = grid->lSites();
-  Lattice<iScalar<iScalar<iScalar<Vec> > > > ret(grid);
-  typedef typename Vec::scalar_type scalar;
-  autoView(Umu_v,Umu,CpuRead);
-  autoView(ret_v,ret,CpuWrite);
-  thread_for(site,lvol,{
-    Eigen::MatrixXcd EigenU = Eigen::MatrixXcd::Zero(N,N);
-    Coordinate lcoor;
-    grid->LocalIndexToLocalCoor(site, lcoor);
-    iScalar<iScalar<iMatrix<scalar, N> > > Us;
-    peekLocalSite(Us, Umu_v, lcoor);
-    for(int i=0;i<N;i++){
-      for(int j=0;j<N;j++){
-	scalar tmp= Us()()(i,j);
-	ComplexD ztmp(real(tmp),imag(tmp));
-	EigenU(i,j)=ztmp;
-      }}
-    ComplexD detD  = EigenU.determinant();
-    typename Vec::scalar_type det(detD.real(),detD.imag());
-    pokeLocalSite(det,ret_v,lcoor);
-  });
-  return ret;
-}
-
-template<int N>
-Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > Inverse(const Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > &Umu)
-{
-  GridBase *grid=Umu.Grid();
-  auto lvol = grid->lSites();
-  Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > ret(grid);
-  
-  autoView(Umu_v,Umu,CpuRead);
-  autoView(ret_v,ret,CpuWrite);
-  thread_for(site,lvol,{
-    Eigen::MatrixXcd EigenU = Eigen::MatrixXcd::Zero(N,N);
-    Coordinate lcoor;
-    grid->LocalIndexToLocalCoor(site, lcoor);
-    iScalar<iScalar<iMatrix<ComplexD, N> > > Us;
-    iScalar<iScalar<iMatrix<ComplexD, N> > > Ui;
-    peekLocalSite(Us, Umu_v, lcoor);
-    for(int i=0;i<N;i++){
-      for(int j=0;j<N;j++){
-	EigenU(i,j) = Us()()(i,j);
-      }}
-    Eigen::MatrixXcd EigenUinv = EigenU.inverse();
-    for(int i=0;i<N;i++){
-      for(int j=0;j<N;j++){
-	Ui()()(i,j) = EigenUinv(i,j);
-      }}
-    pokeLocalSite(Ui,ret_v,lcoor);
-  });
-  return ret;
-}
-
-
 NAMESPACE_END(Grid);
 #endif
 

Grid/lattice/Lattice_transfer.h

@@ -697,68 +697,8 @@ void localCopyRegion(const Lattice<vobj> &From,Lattice<vobj> & To,Coordinate Fro
   for(int d=0;d<nd;d++){
     assert(Fg->_processors[d]  == Tg->_processors[d]);
   }
+
   // the above should guarantee that the operations are local
-  
-#if 1
-
-  size_t nsite = 1;
-  for(int i=0;i<nd;i++) nsite *= RegionSize[i];
-  
-  size_t tbytes = 4*nsite*sizeof(int);
-  int *table = (int*)malloc(tbytes);
- 
-  thread_for(idx, nsite, {
-      Coordinate from_coor, to_coor;
-      size_t rem = idx;
-      for(int i=0;i<nd;i++){
-	size_t base_i  = rem % RegionSize[i]; rem /= RegionSize[i];
-	from_coor[i] = base_i + FromLowerLeft[i];
-	to_coor[i] = base_i + ToLowerLeft[i];
-      }
-      
-      int foidx = Fg->oIndex(from_coor);
-      int fiidx = Fg->iIndex(from_coor);
-      int toidx = Tg->oIndex(to_coor);
-      int tiidx = Tg->iIndex(to_coor);
-      int* tt = table + 4*idx;
-      tt[0] = foidx;
-      tt[1] = fiidx;
-      tt[2] = toidx;
-      tt[3] = tiidx;
-    });
-  
-  int* table_d = (int*)acceleratorAllocDevice(tbytes);
-  acceleratorCopyToDevice(table,table_d,tbytes);
-
-  typedef typename vobj::vector_type vector_type;
-  typedef typename vobj::scalar_type scalar_type;
-
-  autoView(from_v,From,AcceleratorRead);
-  autoView(to_v,To,AcceleratorWrite);
-  
-  accelerator_for(idx,nsite,1,{
-      static const int words=sizeof(vobj)/sizeof(vector_type);
-      int* tt = table_d + 4*idx;
-      int from_oidx = *tt++;
-      int from_lane = *tt++;
-      int to_oidx = *tt++;
-      int to_lane = *tt;
-
-      const vector_type* from = (const vector_type *)&from_v[from_oidx];
-      vector_type* to = (vector_type *)&to_v[to_oidx];
-      
-      scalar_type stmp;
-      for(int w=0;w<words;w++){
-	stmp = getlane(from[w], from_lane);
-	putlane(to[w], stmp, to_lane);
-      }
-    });
-  
-  acceleratorFreeDevice(table_d);    
-  free(table);
-  
-
-#else  
   Coordinate ldf = Fg->_ldimensions;
   Coordinate rdf = Fg->_rdimensions;
   Coordinate isf = Fg->_istride;
@@ -767,9 +707,9 @@ void localCopyRegion(const Lattice<vobj> &From,Lattice<vobj> & To,Coordinate Fro
   Coordinate ist = Tg->_istride;
   Coordinate ost = Tg->_ostride;
 
-  autoView( t_v , To, CpuWrite);
+  autoView( t_v , To, AcceleratorWrite);
-  autoView( f_v , From, CpuRead);
+  autoView( f_v , From, AcceleratorRead);
-  thread_for(idx,Fg->lSites(),{
+  accelerator_for(idx,Fg->lSites(),1,{
     sobj s;
     Coordinate Fcoor(nd);
     Coordinate Tcoor(nd);
@@ -782,24 +722,17 @@ void localCopyRegion(const Lattice<vobj> &From,Lattice<vobj> & To,Coordinate Fro
       Tcoor[d] = ToLowerLeft[d]+ Fcoor[d]-FromLowerLeft[d];
     }
     if (in_region) {
-#if 0      
+      Integer idx_f = 0; for(int d=0;d<nd;d++) idx_f+=isf[d]*(Fcoor[d]/rdf[d]);
-      Integer idx_f = 0; for(int d=0;d<nd;d++) idx_f+=isf[d]*(Fcoor[d]/rdf[d]); // inner index from
+      Integer idx_t = 0; for(int d=0;d<nd;d++) idx_t+=ist[d]*(Tcoor[d]/rdt[d]);
-      Integer idx_t = 0; for(int d=0;d<nd;d++) idx_t+=ist[d]*(Tcoor[d]/rdt[d]); // inner index to
+      Integer odx_f = 0; for(int d=0;d<nd;d++) odx_f+=osf[d]*(Fcoor[d]%rdf[d]);
-      Integer odx_f = 0; for(int d=0;d<nd;d++) odx_f+=osf[d]*(Fcoor[d]%rdf[d]); // outer index from
+      Integer odx_t = 0; for(int d=0;d<nd;d++) odx_t+=ost[d]*(Tcoor[d]%rdt[d]);
-      Integer odx_t = 0; for(int d=0;d<nd;d++) odx_t+=ost[d]*(Tcoor[d]%rdt[d]); // outer index to
+      vector_type * fp = (vector_type *)&f_v[odx_f];
-      scalar_type * fp = (scalar_type *)&f_v[odx_f];
+      vector_type * tp = (vector_type *)&t_v[odx_t];
-      scalar_type * tp = (scalar_type *)&t_v[odx_t];
       for(int w=0;w<words;w++){
 	tp[w].putlane(fp[w].getlane(idx_f),idx_t);
       }
-#else
-    peekLocalSite(s,f_v,Fcoor);
-    pokeLocalSite(s,t_v,Tcoor);
-#endif
     }
   });
-
-#endif
 }
 
 
@@ -892,8 +825,6 @@ void ExtractSlice(Lattice<vobj> &lowDim,const Lattice<vobj> & higherDim,int slic
 }
 
 
-//Insert subvolume orthogonal to direction 'orthog' with slice index 'slice_lo' from 'lowDim' onto slice index 'slice_hi' of higherDim
-//The local dimensions of both 'lowDim' and 'higherDim' orthogonal to 'orthog' should be the same
 template<class vobj>
 void InsertSliceLocal(const Lattice<vobj> &lowDim, Lattice<vobj> & higherDim,int slice_lo,int slice_hi, int orthog)
 {
@@ -915,65 +846,6 @@ void InsertSliceLocal(const Lattice<vobj> &lowDim, Lattice<vobj> & higherDim,int
   }
   }
 
-#if 1
-  size_t nsite = lg->lSites()/lg->LocalDimensions()[orthog];
-  size_t tbytes = 4*nsite*sizeof(int);
-  int *table = (int*)malloc(tbytes);
-  
-  thread_for(idx,nsite,{
-    Coordinate lcoor(nl);
-    Coordinate hcoor(nh);
-    lcoor[orthog] = slice_lo;
-    hcoor[orthog] = slice_hi;
-    size_t rem = idx;
-    for(int mu=0;mu<nl;mu++){
-      if(mu != orthog){
-	int xmu = rem % lg->LocalDimensions()[mu];  rem /= lg->LocalDimensions()[mu];
-	lcoor[mu] = hcoor[mu] = xmu;
-      }
-    }
-    int loidx = lg->oIndex(lcoor);
-    int liidx = lg->iIndex(lcoor);
-    int hoidx = hg->oIndex(hcoor);
-    int hiidx = hg->iIndex(hcoor);
-    int* tt = table + 4*idx;
-    tt[0] = loidx;
-    tt[1] = liidx;
-    tt[2] = hoidx;
-    tt[3] = hiidx;
-    });
-   
-  int* table_d = (int*)acceleratorAllocDevice(tbytes);
-  acceleratorCopyToDevice(table,table_d,tbytes);
-
-  typedef typename vobj::vector_type vector_type;
-  typedef typename vobj::scalar_type scalar_type;
-
-  autoView(lowDim_v,lowDim,AcceleratorRead);
-  autoView(higherDim_v,higherDim,AcceleratorWrite);
-  
-  accelerator_for(idx,nsite,1,{
-      static const int words=sizeof(vobj)/sizeof(vector_type);
-      int* tt = table_d + 4*idx;
-      int from_oidx = *tt++;
-      int from_lane = *tt++;
-      int to_oidx = *tt++;
-      int to_lane = *tt;
-
-      const vector_type* from = (const vector_type *)&lowDim_v[from_oidx];
-      vector_type* to = (vector_type *)&higherDim_v[to_oidx];
-      
-      scalar_type stmp;
-      for(int w=0;w<words;w++){
-	stmp = getlane(from[w], from_lane);
-	putlane(to[w], stmp, to_lane);
-      }
-    });
-  
-  acceleratorFreeDevice(table_d);    
-  free(table);
-  
-#else
   // the above should guarantee that the operations are local
   autoView(lowDimv,lowDim,CpuRead);
   autoView(higherDimv,higherDim,CpuWrite);
@@ -989,7 +861,6 @@ void InsertSliceLocal(const Lattice<vobj> &lowDim, Lattice<vobj> & higherDim,int
       pokeLocalSite(s,higherDimv,hcoor);
     }
   });
-#endif
 }
 
 

Grid/lattice/PaddedCell.h

@@ -1,174 +0,0 @@
-/*************************************************************************************
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/lattice/PaddedCell.h
-
-    Copyright (C) 2019
-
-Author: Peter Boyle pboyle@bnl.gov
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-*************************************************************************************/
-/*  END LEGAL */
-#pragma once
-
-#include<Grid/cshift/Cshift.h>
-
-NAMESPACE_BEGIN(Grid);
-
-//Allow the user to specify how the C-shift is performed, e.g. to respect the appropriate boundary conditions
-template<typename vobj>
-struct CshiftImplBase{
-  virtual Lattice<vobj> Cshift(const Lattice<vobj> &in, int dir, int shift) const = 0;
-  virtual ~CshiftImplBase(){}
-};
-template<typename vobj>
-struct CshiftImplDefault: public CshiftImplBase<vobj>{
-  Lattice<vobj> Cshift(const Lattice<vobj> &in, int dir, int shift) const override{ return Grid::Cshift(in,dir,shift); }
-};
-template<typename Gimpl>
-struct CshiftImplGauge: public CshiftImplBase<typename Gimpl::GaugeLinkField::vector_object>{
-  typename Gimpl::GaugeLinkField Cshift(const typename Gimpl::GaugeLinkField &in, int dir, int shift) const override{ return Gimpl::CshiftLink(in,dir,shift); }
-};  
-
-class PaddedCell {
-public:
-  GridCartesian * unpadded_grid;
-  int dims;
-  int depth;
-  std::vector<GridCartesian *> grids;
-
-  ~PaddedCell()
-  {
-    DeleteGrids();
-  }
-  PaddedCell(int _depth,GridCartesian *_grid)
-  {
-    unpadded_grid = _grid;
-    depth=_depth;
-    dims=_grid->Nd();
-    AllocateGrids();
-    Coordinate local     =unpadded_grid->LocalDimensions();
-    for(int d=0;d<dims;d++){
-      assert(local[d]>=depth);
-    }
-  }
-  void DeleteGrids(void)
-  {
-    for(int d=0;d<grids.size();d++){
-      delete grids[d];
-    }
-    grids.resize(0);
-  };
-  void AllocateGrids(void)
-  {
-    Coordinate local     =unpadded_grid->LocalDimensions();
-    Coordinate simd      =unpadded_grid->_simd_layout;
-    Coordinate processors=unpadded_grid->_processors;
-    Coordinate plocal    =unpadded_grid->LocalDimensions();
-    Coordinate global(dims);
-
-    // expand up one dim at a time
-    for(int d=0;d<dims;d++){
-
-      plocal[d] += 2*depth; 
-
-      for(int d=0;d<dims;d++){
-	global[d] = plocal[d]*processors[d];
-      }
-
-      grids.push_back(new GridCartesian(global,simd,processors));
-    }
-  };
-  template<class vobj>
-  inline Lattice<vobj> Extract(const Lattice<vobj> &in) const
-  {
-    Lattice<vobj> out(unpadded_grid);
-
-    Coordinate local     =unpadded_grid->LocalDimensions();
-    Coordinate fll(dims,depth); // depends on the MPI spread
-    Coordinate tll(dims,0); // depends on the MPI spread
-    localCopyRegion(in,out,fll,tll,local);
-    return out;
-  }
-  template<class vobj>
-  inline Lattice<vobj> Exchange(const Lattice<vobj> &in, const CshiftImplBase<vobj> &cshift = CshiftImplDefault<vobj>()) const
-  {
-    GridBase *old_grid = in.Grid();
-    int dims = old_grid->Nd();
-    Lattice<vobj> tmp = in;
-    for(int d=0;d<dims;d++){
-      tmp = Expand(d,tmp,cshift); // rvalue && assignment
-    }
-    return tmp;
-  }
-  // expand up one dim at a time
-  template<class vobj>
-  inline Lattice<vobj> Expand(int dim, const Lattice<vobj> &in, const CshiftImplBase<vobj> &cshift = CshiftImplDefault<vobj>()) const
-  {
-    GridBase *old_grid = in.Grid();
-    GridCartesian *new_grid = grids[dim];//These are new grids
-    Lattice<vobj>  padded(new_grid);
-    Lattice<vobj> shifted(old_grid);    
-    Coordinate local     =old_grid->LocalDimensions();
-    Coordinate plocal    =new_grid->LocalDimensions();
-    if(dim==0) conformable(old_grid,unpadded_grid);
-    else       conformable(old_grid,grids[dim-1]);
-
-    std::cout << " dim "<<dim<<" local "<<local << " padding to "<<plocal<<std::endl;
-
-    double tins=0, tshift=0;
-    
-    // Middle bit
-    double t = usecond();
-    for(int x=0;x<local[dim];x++){
-      InsertSliceLocal(in,padded,x,depth+x,dim);
-    }
-    tins += usecond() - t;
-    
-    // High bit
-    t = usecond();
-    shifted = cshift.Cshift(in,dim,depth);
-    tshift += usecond() - t;
-
-    t=usecond();
-    for(int x=0;x<depth;x++){
-      InsertSliceLocal(shifted,padded,local[dim]-depth+x,depth+local[dim]+x,dim);
-    }
-    tins += usecond() - t;
-    
-    // Low bit
-    t = usecond();
-    shifted = cshift.Cshift(in,dim,-depth);
-    tshift += usecond() - t;
-    
-    t = usecond();
-    for(int x=0;x<depth;x++){
-      InsertSliceLocal(shifted,padded,x,x,dim);
-    }
-    tins += usecond() - t;
-
-    std::cout << GridLogPerformance << "PaddedCell::Expand timings: cshift:" << tshift/1000 << "ms, insert-slice:" << tins/1000 << "ms" << std::endl;
-    
-    return padded;
-  }
-
-};
- 
-
-NAMESPACE_END(Grid);
-

Grid/qcd/QCD.h

@@ -104,7 +104,6 @@ template<typename vtype> using iSpinMatrix                = iScalar<iMatrix<iSca
 template<typename vtype> using iColourMatrix              = iScalar<iScalar<iMatrix<vtype, Nc> > > ;
 template<typename vtype> using iSpinColourMatrix          = iScalar<iMatrix<iMatrix<vtype, Nc>, Ns> >;
 template<typename vtype> using iLorentzColourMatrix       = iVector<iScalar<iMatrix<vtype, Nc> >, Nd > ;
-template<typename vtype> using iLorentzComplex            = iVector<iScalar<iScalar<vtype> >, Nd > ;
 template<typename vtype> using iDoubleStoredColourMatrix  = iVector<iScalar<iMatrix<vtype, Nc> >, Nds > ;
 template<typename vtype> using iSpinVector                = iScalar<iVector<iScalar<vtype>, Ns> >;
 template<typename vtype> using iColourVector              = iScalar<iScalar<iVector<vtype, Nc> > >;
@@ -179,15 +178,6 @@ typedef iLorentzColourMatrix<vComplexF>  vLorentzColourMatrixF;
 typedef iLorentzColourMatrix<vComplexD>  vLorentzColourMatrixD;
 typedef iLorentzColourMatrix<vComplexD2> vLorentzColourMatrixD2;
 
-// LorentzComplex
-typedef iLorentzComplex<Complex  > LorentzComplex;
-typedef iLorentzComplex<ComplexF > LorentzComplexF;
-typedef iLorentzComplex<ComplexD > LorentzComplexD;
-
-typedef iLorentzComplex<vComplex > vLorentzComplex;
-typedef iLorentzComplex<vComplexF> vLorentzComplexF;
-typedef iLorentzComplex<vComplexD> vLorentzComplexD;
-
 // DoubleStored gauge field
 typedef iDoubleStoredColourMatrix<Complex  > DoubleStoredColourMatrix;
 typedef iDoubleStoredColourMatrix<ComplexF > DoubleStoredColourMatrixF;
@@ -317,10 +307,6 @@ typedef Lattice<vLorentzColourMatrixF>  LatticeLorentzColourMatrixF;
 typedef Lattice<vLorentzColourMatrixD>  LatticeLorentzColourMatrixD;
 typedef Lattice<vLorentzColourMatrixD2> LatticeLorentzColourMatrixD2;
 
-typedef Lattice<vLorentzComplex>  LatticeLorentzComplex;
-typedef Lattice<vLorentzComplexF> LatticeLorentzComplexF;
-typedef Lattice<vLorentzComplexD> LatticeLorentzComplexD;
-
 // DoubleStored gauge field
 typedef Lattice<vDoubleStoredColourMatrix>   LatticeDoubleStoredColourMatrix;
 typedef Lattice<vDoubleStoredColourMatrixF>  LatticeDoubleStoredColourMatrixF;

Grid/qcd/action/ActionBase.h

@@ -34,24 +34,10 @@ directory
 
 NAMESPACE_BEGIN(Grid);
 
-///////////////////////////////////
-// Smart configuration base class
-///////////////////////////////////
-template< class Field >
-class ConfigurationBase
-{
-public:
-  ConfigurationBase() {}
-  virtual ~ConfigurationBase() {}
-  virtual void set_Field(Field& U) =0;
-  virtual void smeared_force(Field&) = 0;
-  virtual Field& get_SmearedU() =0;
-  virtual Field &get_U(bool smeared = false) = 0;
-};
-
 template <class GaugeField >
 class Action 
 {
+
 public:
   bool is_smeared = false;
   RealD deriv_norm_sum;
@@ -91,39 +77,11 @@ public:
   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
   virtual RealD Sinitial(const GaugeField& U) { return this->S(U); } ;  // if the refresh computes the action, can cache it. Alternately refreshAndAction() ?
   virtual void deriv(const GaugeField& U, GaugeField& dSdU) = 0;        // evaluate the action derivative
-
-  /////////////////////////////////////////////////////////////
-  // virtual smeared interface through configuration container
-  /////////////////////////////////////////////////////////////
-  virtual void refresh(ConfigurationBase<GaugeField> & U, GridSerialRNG &sRNG, GridParallelRNG& pRNG)
-  {
-    refresh(U.get_U(is_smeared),sRNG,pRNG);
-  }
-  virtual RealD S(ConfigurationBase<GaugeField>& U)
-  {
-    return S(U.get_U(is_smeared));
-  }
-  virtual RealD Sinitial(ConfigurationBase<GaugeField>& U) 
-  {
-    return Sinitial(U.get_U(is_smeared));
-  }
-  virtual void deriv(ConfigurationBase<GaugeField>& U, GaugeField& dSdU)
-  {
-    deriv(U.get_U(is_smeared),dSdU); 
-    if ( is_smeared ) {
-      U.smeared_force(dSdU);
-    }
-  }
-  ///////////////////////////////
-  // Logging
-  ///////////////////////////////
   virtual std::string action_name()    = 0;                             // return the action name
   virtual std::string LogParameters()  = 0;                             // prints action parameters
   virtual ~Action(){}

Grid/qcd/action/ActionCore.h

@@ -30,8 +30,6 @@ directory
 #ifndef QCD_ACTION_CORE
 #define QCD_ACTION_CORE
 
-#include <Grid/qcd/action/gauge/GaugeImplementations.h>
-
 #include <Grid/qcd/action/ActionBase.h>
 NAMESPACE_CHECK(ActionBase);
 #include <Grid/qcd/action/ActionSet.h>
@@ -67,7 +65,6 @@ NAMESPACE_CHECK(Scalar);
 #include <Grid/qcd/utils/Metric.h>
 NAMESPACE_CHECK(Metric);
 #include <Grid/qcd/utils/CovariantLaplacian.h>
-#include <Grid/qcd/utils/CovariantLaplacianRat.h>
 NAMESPACE_CHECK(CovariantLaplacian);
 
 

Grid/qcd/action/ActionParams.h

@@ -65,19 +65,6 @@ struct WilsonImplParams {
   }
 };
 
-struct GaugeImplParams {
-//  bool overlapCommsCompute;
-//  AcceleratorVector<Real,Nd> twist_n_2pi_L;
-  AcceleratorVector<Complex,Nd> boundary_phases;
-  GaugeImplParams()  {
-    boundary_phases.resize(Nd, 1.0);
-//      twist_n_2pi_L.resize(Nd, 0.0);
-  };
-  GaugeImplParams(const AcceleratorVector<Complex,Nd> phi) : boundary_phases(phi) {
-//    twist_n_2pi_L.resize(Nd, 0.0);
-  }
-};
-
 struct StaggeredImplParams {
   Coordinate dirichlet; // Blocksize of dirichlet BCs
   int  partialDirichlet;

Grid/qcd/action/fermion/Fermion.h

@@ -126,16 +126,6 @@ typedef WilsonFermion<WilsonTwoIndexSymmetricImplD> WilsonTwoIndexSymmetricFermi
 typedef WilsonFermion<WilsonTwoIndexAntiSymmetricImplF> WilsonTwoIndexAntiSymmetricFermionF;
 typedef WilsonFermion<WilsonTwoIndexAntiSymmetricImplD> WilsonTwoIndexAntiSymmetricFermionD;
 
-// Sp(2n)
-typedef WilsonFermion<SpWilsonImplF> SpWilsonFermionF;
-typedef WilsonFermion<SpWilsonImplD> SpWilsonFermionD;
-
-typedef WilsonFermion<SpWilsonTwoIndexAntiSymmetricImplF> SpWilsonTwoIndexAntiSymmetricFermionF;
-typedef WilsonFermion<SpWilsonTwoIndexAntiSymmetricImplD> SpWilsonTwoIndexAntiSymmetricFermionD;
-
-typedef WilsonFermion<SpWilsonTwoIndexSymmetricImplF> SpWilsonTwoIndexSymmetricFermionF;
-typedef WilsonFermion<SpWilsonTwoIndexSymmetricImplD> SpWilsonTwoIndexSymmetricFermionD;
-
 // Twisted mass fermion
 typedef WilsonTMFermion<WilsonImplD2> WilsonTMFermionD2;
 typedef WilsonTMFermion<WilsonImplF> WilsonTMFermionF;

Grid/qcd/action/fermion/WilsonImpl.h

@@ -261,22 +261,6 @@ typedef WilsonImpl<vComplex,  TwoIndexAntiSymmetricRepresentation, CoeffReal > W
 typedef WilsonImpl<vComplexF, TwoIndexAntiSymmetricRepresentation, CoeffReal > WilsonTwoIndexAntiSymmetricImplF;  // Float
 typedef WilsonImpl<vComplexD, TwoIndexAntiSymmetricRepresentation, CoeffReal > WilsonTwoIndexAntiSymmetricImplD;  // Double
 
-//sp 2n
-
-typedef WilsonImpl<vComplex,  SpFundamentalRepresentation, CoeffReal > SpWilsonImplR;  // Real.. whichever prec
-typedef WilsonImpl<vComplexF, SpFundamentalRepresentation, CoeffReal > SpWilsonImplF;  // Float
-typedef WilsonImpl<vComplexD, SpFundamentalRepresentation, CoeffReal > SpWilsonImplD;  // Double
-
-typedef WilsonImpl<vComplex,  SpTwoIndexAntiSymmetricRepresentation, CoeffReal > SpWilsonTwoIndexAntiSymmetricImplR;  // Real.. whichever prec
-typedef WilsonImpl<vComplexF, SpTwoIndexAntiSymmetricRepresentation, CoeffReal > SpWilsonTwoIndexAntiSymmetricImplF;  // Float
-typedef WilsonImpl<vComplexD, SpTwoIndexAntiSymmetricRepresentation, CoeffReal > SpWilsonTwoIndexAntiSymmetricImplD;  // Double
-
-typedef WilsonImpl<vComplex,  SpTwoIndexSymmetricRepresentation, CoeffReal > SpWilsonTwoIndexSymmetricImplR;  // Real.. whichever prec
-typedef WilsonImpl<vComplexF, SpTwoIndexSymmetricRepresentation, CoeffReal > SpWilsonTwoIndexSymmetricImplF;  // Float
-typedef WilsonImpl<vComplexD, SpTwoIndexSymmetricRepresentation, CoeffReal > SpWilsonTwoIndexSymmetricImplD;  // Double
-
-typedef WilsonImpl<vComplex,  SpTwoIndexSymmetricRepresentation, CoeffReal > SpWilsonAdjImplR;  // Real.. whichever prec    // adj = 2indx symmetric for Sp(2N)
-typedef WilsonImpl<vComplexF, SpTwoIndexSymmetricRepresentation, CoeffReal > SpWilsonAdjImplF;  // Float     // adj = 2indx symmetric for Sp(2N)
-typedef WilsonImpl<vComplexD, SpTwoIndexSymmetricRepresentation, CoeffReal > SpWilsonAdjImplD;  // Double    // adj = 2indx symmetric for Sp(2N)
 
 NAMESPACE_END(Grid);
+

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

@@ -196,7 +196,6 @@ void WilsonFermion5D<Impl>::DhopDir(const FermionField &in, FermionField &out,in
   
   uint64_t Nsite = Umu.Grid()->oSites();
   Kernels::DhopDirKernel(Stencil,Umu,Stencil.CommBuf(),Ls,Nsite,in,out,dirdisp,gamma);
-
 };
 template<class Impl>
 void WilsonFermion5D<Impl>::DhopDirAll(const FermionField &in, std::vector<FermionField> &out)
@@ -247,10 +246,14 @@ void WilsonFermion5D<Impl>::DerivInternal(StencilImpl & st,
 
     Kernels::DhopDirKernel(st, U, st.CommBuf(), Ls, Usites, B, Btilde, mu,gamma);
 
+    std::cout << " InsertForce Btilde "<< norm2(Btilde)<<std::endl;
+
     ////////////////////////////
     // spin trace outer product
     ////////////////////////////
     Impl::InsertForce5D(mat, Btilde, Atilde, mu);
+
+    std::cout << " InsertForce "<< norm2(mat)<<std::endl;
   }
 }
 

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

@@ -423,6 +423,7 @@ void WilsonKernels<Impl>::DhopDirKernel( StencilImpl &st, DoubledGaugeField &U,S
 #define KERNEL_CALL(A) KERNEL_CALLNB(A); accelerator_barrier();
 
 #define KERNEL_CALL_EXT(A)						\
+  const uint64_t    NN = Nsite*Ls;					\
   const uint64_t    sz = st.surface_list.size();			\
   auto ptr = &st.surface_list[0];					\
   accelerator_forNB( ss, sz, Simd::Nsimd(), {				\

Grid/qcd/action/fermion/instantiation/SpWilsonImplD/WilsonCloverFermionInstantiationSpWilsonImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonImplD/WilsonFermionInstantiationSpWilsonImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonImplD/WilsonKernelsInstantiationSpWilsonImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonImplD/WilsonTMFermionInstantiationSpWilsonImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonImplD/impl.h

@@ -1 +0,0 @@
-#define IMPLEMENTATION SpWilsonImplD

Grid/qcd/action/fermion/instantiation/SpWilsonImplF/WilsonCloverFermionInstantiationSpWilsonImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonImplF/WilsonFermionInstantiationSpWilsonImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonImplF/WilsonKernelsInstantiationSpWilsonImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonImplF/WilsonTMFermionInstantiationSpWilsonImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonImplF/impl.h

@@ -1 +0,0 @@
-#define IMPLEMENTATION SpWilsonImplF

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexAntiSymmetricImplD/WilsonCloverFermionInstantiationSpWilsonTwoIndexAntiSymmetricImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexAntiSymmetricImplD/WilsonFermionInstantiationSpWilsonTwoIndexAntiSymmetricImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexAntiSymmetricImplD/WilsonKernelsInstantiationSpWilsonTwoIndexAntiSymmetricImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexAntiSymmetricImplD/WilsonTMFermionInstantiationSpWilsonTwoIndexAntiSymmetricImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexAntiSymmetricImplD/impl.h

@@ -1 +0,0 @@
-#define IMPLEMENTATION SpWilsonTwoIndexAntiSymmetricImplD

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexAntiSymmetricImplF/WilsonCloverFermionInstantiationSpWilsonTwoIndexAntiSymmetricImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexAntiSymmetricImplF/WilsonFermionInstantiationSpWilsonTwoIndexAntiSymmetricImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexAntiSymmetricImplF/WilsonKernelsInstantiationSpWilsonTwoIndexAntiSymmetricImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexAntiSymmetricImplF/WilsonTMFermionInstantiationSpWilsonTwoIndexAntiSymmetricImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexAntiSymmetricImplF/impl.h

@@ -1 +0,0 @@
-#define IMPLEMENTATION SpWilsonTwoIndexAntiSymmetricImplF

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexSymmetricImplD/WilsonCloverFermionInstantiationSpWilsonTwoIndexSymmetricImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexSymmetricImplD/WilsonFermionInstantiationSpWilsonTwoIndexSymmetricImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexSymmetricImplD/WilsonKernelsInstantiationSpWilsonTwoIndexSymmetricImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexSymmetricImplD/WilsonTMFermionInstantiationSpWilsonTwoIndexSymmetricImplD.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexSymmetricImplD/impl.h

@@ -1 +0,0 @@
-#define IMPLEMENTATION SpWilsonTwoIndexSymmetricImplD

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexSymmetricImplF/WilsonCloverFermionInstantiationSpWilsonTwoIndexSymmetricImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexSymmetricImplF/WilsonFermionInstantiationSpWilsonTwoIndexSymmetricImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexSymmetricImplF/WilsonKernelsInstantiationSpWilsonTwoIndexSymmetricImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexSymmetricImplF/WilsonTMFermionInstantiationSpWilsonTwoIndexSymmetricImplF.cc

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

Grid/qcd/action/fermion/instantiation/SpWilsonTwoIndexSymmetricImplF/impl.h

@@ -1 +0,0 @@
-#define IMPLEMENTATION SpWilsonTwoIndexSymmetricImplF

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

@@ -10,18 +10,12 @@ WILSON_IMPL_LIST=" \
 	   WilsonImplF \
 	   WilsonImplD \
 	   WilsonImplD2 \
-	   SpWilsonImplF \
-	   SpWilsonImplD \
 	   WilsonAdjImplF \
 	   WilsonAdjImplD \
 	   WilsonTwoIndexSymmetricImplF \
 	   WilsonTwoIndexSymmetricImplD \
 	   WilsonTwoIndexAntiSymmetricImplF \
 	   WilsonTwoIndexAntiSymmetricImplD \
-	   SpWilsonTwoIndexAntiSymmetricImplF \
-	   SpWilsonTwoIndexAntiSymmetricImplD \
-	   SpWilsonTwoIndexSymmetricImplF \
-	   SpWilsonTwoIndexSymmetricImplD \
 	   GparityWilsonImplF \
 	   GparityWilsonImplD "
 

Grid/qcd/action/gauge/Gauge.h

@@ -39,9 +39,6 @@ NAMESPACE_BEGIN(Grid);
 typedef WilsonGaugeAction<PeriodicGimplR>          WilsonGaugeActionR;
 typedef WilsonGaugeAction<PeriodicGimplF>          WilsonGaugeActionF;
 typedef WilsonGaugeAction<PeriodicGimplD>          WilsonGaugeActionD;
-typedef WilsonGaugeAction<SpPeriodicGimplR>        SpWilsonGaugeActionR;
-typedef WilsonGaugeAction<SpPeriodicGimplF>        SpWilsonGaugeActionF;
-typedef WilsonGaugeAction<SpPeriodicGimplD>        SpWilsonGaugeActionD;
 typedef PlaqPlusRectangleAction<PeriodicGimplR>    PlaqPlusRectangleActionR;
 typedef PlaqPlusRectangleAction<PeriodicGimplF>    PlaqPlusRectangleActionF;
 typedef PlaqPlusRectangleAction<PeriodicGimplD>    PlaqPlusRectangleActionD;

Grid/qcd/action/gauge/GaugeImplTypes.h

@@ -32,7 +32,7 @@ directory
 
 NAMESPACE_BEGIN(Grid);
 
-#undef CPS_MD_TIME
+#define CPS_MD_TIME
 
 #ifdef CPS_MD_TIME
 #define HMC_MOMENTUM_DENOMINATOR (2.0)
@@ -61,7 +61,7 @@ NAMESPACE_BEGIN(Grid);
   typedef typename Impl::Field Field;
 
 // hardcodes the exponential approximation in the template
-template <class S, int Nrepresentation = Nc, int Nexp = 12, class Group = SU<Nc> > class GaugeImplTypes {
+template <class S, int Nrepresentation = Nc, int Nexp = 12 > class GaugeImplTypes {
 public:
   typedef S Simd;
   typedef typename Simd::scalar_type scalar_type;
@@ -78,6 +78,8 @@ public:
   typedef Lattice<SiteLink>    LinkField; 
   typedef Lattice<SiteField>   Field;
 
+  typedef SU<Nrepresentation> Group;
+
   // Guido: we can probably separate the types from the HMC functions
   // this will create 2 kind of implementations
   // probably confusing the users
@@ -117,7 +119,6 @@ public:
     //
     LinkField Pmu(P.Grid());
     Pmu = Zero();
-
     for (int mu = 0; mu < Nd; mu++) {
       Group::GaussianFundamentalLieAlgebraMatrix(pRNG, Pmu);
       RealD scale = ::sqrt(HMC_MOMENTUM_DENOMINATOR) ;
@@ -126,11 +127,7 @@ public:
     }
   }
 
-  static inline Field projectForce(Field &P) {
+  static inline Field projectForce(Field &P) { return Ta(P); }
-      Field ret(P.Grid());
-      Group::taProj(P, ret);
-      return ret;
-    }
 
   static inline void update_field(Field& P, Field& U, double ep){
     //static std::chrono::duration<double> diff;
@@ -140,8 +137,7 @@ public:
     autoView(P_v,P,AcceleratorRead);
     accelerator_for(ss, P.Grid()->oSites(),1,{
       for (int mu = 0; mu < Nd; mu++) {
-          U_v[ss](mu) = Exponentiate(P_v[ss](mu), ep, Nexp) * U_v[ss](mu);
+        U_v[ss](mu) = ProjectOnGroup(Exponentiate(P_v[ss](mu), ep, Nexp) * U_v[ss](mu));
-          U_v[ss](mu) = Group::ProjectOnGeneralGroup(U_v[ss](mu));
       }
     });
    //auto end = std::chrono::high_resolution_clock::now();
@@ -161,7 +157,7 @@ public:
   }
 
   static inline void Project(Field &U) {
-    Group::ProjectOnSpecialGroup(U);
+    ProjectSUn(U);
   }
 
   static inline void HotConfiguration(GridParallelRNG &pRNG, Field &U) {
@@ -175,7 +171,6 @@ public:
   static inline void ColdConfiguration(GridParallelRNG &pRNG, Field &U) {
     Group::ColdConfiguration(pRNG, U);
   }
-
 };
 
 
@@ -183,17 +178,10 @@ typedef GaugeImplTypes<vComplex, Nc> GimplTypesR;
 typedef GaugeImplTypes<vComplexF, Nc> GimplTypesF;
 typedef GaugeImplTypes<vComplexD, Nc> GimplTypesD;
 
-typedef GaugeImplTypes<vComplex, Nc, 12, Sp<Nc> > SpGimplTypesR;
-typedef GaugeImplTypes<vComplexF, Nc, 12, Sp<Nc> > SpGimplTypesF;
-typedef GaugeImplTypes<vComplexD, Nc, 12, Sp<Nc> > SpGimplTypesD;
-
 typedef GaugeImplTypes<vComplex, SU<Nc>::AdjointDimension> GimplAdjointTypesR;
 typedef GaugeImplTypes<vComplexF, SU<Nc>::AdjointDimension> GimplAdjointTypesF;
 typedef GaugeImplTypes<vComplexD, SU<Nc>::AdjointDimension> GimplAdjointTypesD;
 
-
-
-
 NAMESPACE_END(Grid);
 
 #endif // GRID_GAUGE_IMPL_TYPES_H

Grid/qcd/action/gauge/GaugeImplementations.h

@@ -176,7 +176,7 @@ public:
       return PeriodicBC::CshiftLink(Link,mu,shift);
   }
 
-  static inline void       setDirections(const std::vector<int> &conjDirs) { _conjDirs=conjDirs; }
+  static inline void       setDirections(std::vector<int> &conjDirs) { _conjDirs=conjDirs; }
   static inline std::vector<int> getDirections(void) { return _conjDirs; }
   static inline bool isPeriodicGaugeField(void) { return false; }
 };
@@ -193,11 +193,6 @@ typedef ConjugateGaugeImpl<GimplTypesR> ConjugateGimplR; // Real.. whichever pre
 typedef ConjugateGaugeImpl<GimplTypesF> ConjugateGimplF; // Float
 typedef ConjugateGaugeImpl<GimplTypesD> ConjugateGimplD; // Double
 
-typedef PeriodicGaugeImpl<SpGimplTypesR> SpPeriodicGimplR; // Real.. whichever prec
-typedef PeriodicGaugeImpl<SpGimplTypesF> SpPeriodicGimplF; // Float
-typedef PeriodicGaugeImpl<SpGimplTypesD> SpPeriodicGimplD; // Double
-
-
 NAMESPACE_END(Grid);
 
 #endif

Grid/qcd/action/gauge/PlaqPlusRectangleAction.h

@@ -43,7 +43,7 @@ public:
 private:
   RealD c_plaq;
   RealD c_rect;
-  typename WilsonLoops<Gimpl>::StapleAndRectStapleAllWorkspace workspace;
+
 public:
   PlaqPlusRectangleAction(RealD b,RealD c): c_plaq(b),c_rect(c){};
 
@@ -79,18 +79,27 @@ public:
     GridBase *grid = Umu.Grid();
 
     std::vector<GaugeLinkField> U (Nd,grid);
+    std::vector<GaugeLinkField> U2(Nd,grid);
+
     for(int mu=0;mu<Nd;mu++){
       U[mu] = PeekIndex<LorentzIndex>(Umu,mu);
+      WilsonLoops<Gimpl>::RectStapleDouble(U2[mu],U[mu],mu);
     }
-    std::vector<GaugeLinkField> RectStaple(Nd,grid), Staple(Nd,grid);
-    WilsonLoops<Gimpl>::StapleAndRectStapleAll(Staple, RectStaple, U, workspace);
 
     GaugeLinkField dSdU_mu(grid);
     GaugeLinkField staple(grid);
 
     for (int mu=0; mu < Nd; mu++){
-      dSdU_mu = Ta(U[mu]*Staple[mu])*factor_p;
+
-      dSdU_mu = dSdU_mu + Ta(U[mu]*RectStaple[mu])*factor_r;
+      // Staple in direction mu
+
+      WilsonLoops<Gimpl>::Staple(staple,Umu,mu);
+
+      dSdU_mu = Ta(U[mu]*staple)*factor_p;
+
+      WilsonLoops<Gimpl>::RectStaple(Umu,staple,U2,U,mu);
+
+      dSdU_mu = dSdU_mu + Ta(U[mu]*staple)*factor_r;
 	  
       PokeIndex<LorentzIndex>(dSdU, dSdU_mu, mu);
     }

Grid/qcd/action/gauge/WilsonGaugeAction.h

@@ -42,13 +42,9 @@ template <class Gimpl>
 class WilsonGaugeAction : public Action<typename Gimpl::GaugeField> {
 public:  
   INHERIT_GIMPL_TYPES(Gimpl);
-  typedef GaugeImplParams ImplParams;
-  ImplParams Params;
 
   /////////////////////////// constructors
-  explicit WilsonGaugeAction(RealD beta_,
+  explicit WilsonGaugeAction(RealD beta_):beta(beta_){};
-		  const ImplParams &p = ImplParams()
-		  ):beta(beta_),Params(p){};
 
   virtual std::string action_name() {return "WilsonGaugeAction";}
 
@@ -60,53 +56,14 @@ public:
 
   virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG &pRNG){};  // noop as no pseudoferms
 
-// Umu<->U maximally confusing
-  virtual void boundary(const GaugeField &Umu, GaugeField &Ub){
-    typedef typename Simd::scalar_type scalar_type;
-    assert(Params.boundary_phases.size() == Nd);
-    GridBase *GaugeGrid=Umu.Grid();
-    GaugeLinkField U(GaugeGrid);
-    GaugeLinkField tmp(GaugeGrid);
-
-    Lattice<iScalar<vInteger> > coor(GaugeGrid);
-    for (int mu = 0; mu < Nd; mu++) {
-	////////// boundary phase /////////////
-      auto pha = Params.boundary_phases[mu];
-      scalar_type phase( real(pha),imag(pha) );
-      std::cout<< GridLogIterative << "[WilsonGaugeAction] boundary "<<mu<<" "<<phase<< std::endl; 
-
-	int L   = GaugeGrid->GlobalDimensions()[mu];
-        int Lmu = L - 1;
-
-      LatticeCoordinate(coor, mu);
-
-      U = PeekIndex<LorentzIndex>(Umu, mu);
-      tmp = where(coor == Lmu, phase * U, U);
-      PokeIndex<LorentzIndex>(Ub, tmp, mu);
-//      PokeIndex<LorentzIndex>(Ub, U, mu);
-//      PokeIndex<LorentzIndex>(Umu, tmp, mu);
-
-    }
-  };
-
   virtual RealD S(const GaugeField &U) {
-    GaugeField Ub(U.Grid());
+    RealD plaq = WilsonLoops<Gimpl>::avgPlaquette(U);
-    this->boundary(U,Ub);
+    RealD vol = U.Grid()->gSites();
-    static RealD lastG=0.;
-    RealD plaq = WilsonLoops<Gimpl>::avgPlaquette(Ub);
-    RealD vol = Ub.Grid()->gSites();
     RealD action = beta * (1.0 - plaq) * (Nd * (Nd - 1.0)) * vol * 0.5;
-    std::cout << GridLogMessage << "[WilsonGaugeAction] dH: " << action-lastG << std::endl;
-    RealD plaq_o = WilsonLoops<Gimpl>::avgPlaquette(U);
-    RealD action_o = beta * (1.0 - plaq_o) * (Nd * (Nd - 1.0)) * vol * 0.5;
-    std::cout << GridLogMessage << "[WilsonGaugeAction] U: " << action_o <<" Ub: "<< action  << std::endl;
-    lastG=action;
     return action;
   };
 
   virtual void deriv(const GaugeField &U, GaugeField &dSdU) {
-    GaugeField Ub(U.Grid());
-    this->boundary(U,Ub);
     // not optimal implementation FIXME
     // extend Ta to include Lorentz indexes
 
@@ -116,9 +73,10 @@ public:
     GaugeLinkField dSdU_mu(U.Grid());
     for (int mu = 0; mu < Nd; mu++) {
 
-      Umu = PeekIndex<LorentzIndex>(Ub, mu);
+      Umu = PeekIndex<LorentzIndex>(U, mu);
+      
       // Staple in direction mu
-      WilsonLoops<Gimpl>::Staple(dSdU_mu, Ub, mu);
+      WilsonLoops<Gimpl>::Staple(dSdU_mu, U, mu);
       dSdU_mu = Ta(Umu * dSdU_mu) * factor;
       
       PokeIndex<LorentzIndex>(dSdU, dSdU_mu, mu);

Grid/qcd/action/pseudofermion/EvenOddSchurDifferentiable.h

@@ -119,13 +119,19 @@ public:
     //  X^dag Der_oe MeeInv Meo Y
     // Use Mooee as nontrivial but gauge field indept
     this->_Mat.MeooeDag   (V,tmp1);      // odd->even -- implicit -0.5 factor to be applied
+    std::cout << " tmp 1" << norm2(tmp1)<<std::endl;
     this->_Mat.MooeeInvDag(tmp1,tmp2);   // even->even 
+    std::cout << " tmp 1" << norm2(tmp2)<<std::endl;
     this->_Mat.MoeDeriv(ForceO,U,tmp2,DaggerYes);
+    std::cout << " ForceO " << norm2(ForceO)<<std::endl;
           
     //  Accumulate X^dag M_oe MeeInv Der_eo Y
     this->_Mat.Meooe   (U,tmp1);    // even->odd -- implicit -0.5 factor to be applied
+    std::cout << " tmp 1" << norm2(tmp1)<<std::endl;
     this->_Mat.MooeeInv(tmp1,tmp2); // even->even 
+    std::cout << " tmp 2" << norm2(tmp2)<<std::endl;
     this->_Mat.MeoDeriv(ForceE,tmp2,V,DaggerYes);
+    std::cout << " ForceE " << norm2(ForceE)<<std::endl;
 
     assert(ForceE.Checkerboard()==Even);
     assert(ForceO.Checkerboard()==Odd);

Grid/qcd/action/pseudofermion/ExactOneFlavourRatio.h

@@ -178,10 +178,7 @@ NAMESPACE_BEGIN(Grid);
         // Use chronological inverter to forecast solutions across poles
         std::vector<FermionField> prev_solns;
         if(use_heatbath_forecasting){ prev_solns.reserve(param.degree); }
-	MdagMLinearOperator<AbstractEOFAFermion<Impl> ,FermionField> MdagML(Lop);
+        ChronoForecast<AbstractEOFAFermion<Impl>, FermionField> Forecast;
-	MdagMLinearOperator<AbstractEOFAFermion<Impl> ,FermionField> MdagMR(Rop);
-//        ChronoForecast<AbstractEOFAFermion<Impl>, FermionField> Forecast;
-	ChronoForecast<MdagMLinearOperator<AbstractEOFAFermion<Impl>, FermionField> , FermionField> Forecast;
 
         // \Phi = ( \alpha_{0} + \sum_{k=1}^{N_{p}} \alpha_{l} * \gamma_{l} ) * \eta
         RealD N(PowerNegHalf.norm);
@@ -201,7 +198,7 @@ NAMESPACE_BEGIN(Grid);
           heatbathRefreshShiftCoefficients(0, -gamma_l);
           if(use_heatbath_forecasting){ // Forecast CG guess using solutions from previous poles
             Lop.Mdag(CG_src, Forecast_src);
-            CG_soln = Forecast(MdagML, Forecast_src, prev_solns);
+            CG_soln = Forecast(Lop, Forecast_src, prev_solns);
             SolverHBL(Lop, CG_src, CG_soln);
             prev_solns.push_back(CG_soln);
           } else {
@@ -228,7 +225,7 @@ NAMESPACE_BEGIN(Grid);
 	  heatbathRefreshShiftCoefficients(1, -gamma_l*PowerNegHalf.poles[k]);
           if(use_heatbath_forecasting){
             Rop.Mdag(CG_src, Forecast_src);
-            CG_soln = Forecast(MdagMR, Forecast_src, prev_solns);
+            CG_soln = Forecast(Rop, Forecast_src, prev_solns);
             SolverHBR(Rop, CG_src, CG_soln);
             prev_solns.push_back(CG_soln);
           } else {

Grid/qcd/action/scalar/ScalarImpl.h

@@ -1,6 +1,6 @@
 #pragma once
 
-#undef CPS_MD_TIME 
+#define CPS_MD_TIME 
 
 #ifdef CPS_MD_TIME
 #define HMC_MOMENTUM_DENOMINATOR (2.0)

Grid/qcd/hmc/GenericHMCrunner.h

@@ -121,19 +121,12 @@ public:
 
   template <class SmearingPolicy>
   void Run(SmearingPolicy &S) {
-    TrivialMetric<typename Implementation::Field> Mtr;
+    Runner(S);
-    Runner(S,Mtr);
-  }
-
-  template <class SmearingPolicy, class Metric>
-  void Run(SmearingPolicy &S, Metric &Mtr) {
-    Runner(S,Mtr);
   }
 
   void Run(){
     NoSmearing<Implementation> S;
-    TrivialMetric<typename Implementation::Field> Mtr;
+    Runner(S);
-    Runner(S,Mtr);
   }
 
   //Use the checkpointer to initialize the RNGs and the gauge field, writing the resulting gauge field into U.
@@ -183,15 +176,15 @@ public:
   //////////////////////////////////////////////////////////////////
 
 private:
-  template <class SmearingPolicy, class Metric>
+  template <class SmearingPolicy>
-  void Runner(SmearingPolicy &Smearing, Metric &Mtr) {
+  void Runner(SmearingPolicy &Smearing) {
     auto UGrid = Resources.GetCartesian();
     Field U(UGrid);
 
     initializeGaugeFieldAndRNGs(U);
 
     typedef IntegratorType<SmearingPolicy> TheIntegrator;
-    TheIntegrator MDynamics(UGrid, Parameters.MD, TheAction, Smearing,Mtr);
+    TheIntegrator MDynamics(UGrid, Parameters.MD, TheAction, Smearing);
 
     // Sets the momentum filter
     MDynamics.setMomentumFilter(*(Resources.GetMomentumFilter()));
@@ -232,18 +225,6 @@ template <class RepresentationsPolicy,
 using GenericHMCRunnerHirep =
 				     HMCWrapperTemplate<PeriodicGimplR, Integrator, RepresentationsPolicy>;
 
-// sp2n
-
-template <template <typename, typename, typename> class Integrator>
-using GenericSpHMCRunner = HMCWrapperTemplate<SpPeriodicGimplR, Integrator>;
-
-template <class RepresentationsPolicy,
-          template <typename, typename, typename> class Integrator>
-using GenericSpHMCRunnerHirep =
-                     HMCWrapperTemplate<SpPeriodicGimplR, Integrator, RepresentationsPolicy>;
-
-
-
 template <class Implementation, class RepresentationsPolicy, 
           template <typename, typename, typename> class Integrator>
 using GenericHMCRunnerTemplate = HMCWrapperTemplate<Implementation, Integrator, RepresentationsPolicy>;

Grid/qcd/hmc/HMC.h

@@ -55,8 +55,6 @@ struct HMCparameters: Serializable {
                                   Integer, NoMetropolisUntil,
 				  bool, PerformRandomShift, /* @brief Randomly shift the gauge configuration at the start of a trajectory */
                                   std::string, StartingType,
-				  Integer, SW,
-                                  RealD, Kappa,
                                   IntegratorParameters, MD)
 
   HMCparameters() {
@@ -112,8 +110,6 @@ private:
   IntegratorType &TheIntegrator;
   ObsListType Observables;
 
-  int traj_num;
-
   /////////////////////////////////////////////////////////
   // Metropolis step
   /////////////////////////////////////////////////////////
@@ -204,14 +200,14 @@ private:
 
     std::cout << GridLogMessage << "--------------------------------------------------\n";
     std::cout << GridLogMessage << " Molecular Dynamics evolution ";
-    TheIntegrator.integrate(U,traj_num);
+    TheIntegrator.integrate(U);
     std::cout << GridLogMessage << "--------------------------------------------------\n";
 
     //////////////////////////////////////////////////////////////////////////////////////////////////////
     // updated state action
     //////////////////////////////////////////////////////////////////////////////////////////////////////
     std::cout << GridLogMessage << "--------------------------------------------------\n";
-    std::cout << GridLogMessage << "Compute final action" <<std::endl;
+    std::cout << GridLogMessage << "Compute final action";
     RealD H1 = TheIntegrator.S(U);  
     std::cout << GridLogMessage << "--------------------------------------------------\n";
 
@@ -246,7 +242,7 @@ public:
   HybridMonteCarlo(HMCparameters _Pams, IntegratorType &_Int,
                    GridSerialRNG &_sRNG, GridParallelRNG &_pRNG, 
                    ObsListType _Obs, Field &_U)
-    : Params(_Pams), TheIntegrator(_Int), sRNG(_sRNG), pRNG(_pRNG), Observables(_Obs), Ucur(_U),traj_num(0) {}
+    : Params(_Pams), TheIntegrator(_Int), sRNG(_sRNG), pRNG(_pRNG), Observables(_Obs), Ucur(_U) {}
   ~HybridMonteCarlo(){};
 
   void evolve(void) {
@@ -262,9 +258,8 @@ public:
 
     for (int traj = Params.StartTrajectory; traj < FinalTrajectory; ++traj) {
 
-
       std::cout << GridLogHMC << "-- # Trajectory = " << traj << "\n";
-      traj_num=traj;
+
       if (traj < Params.StartTrajectory + Params.NoMetropolisUntil) {
       	std::cout << GridLogHMC << "-- Thermalization" << std::endl;
       }
@@ -289,12 +284,11 @@ public:
 
       TheIntegrator.print_timer();
 
-      TheIntegrator.Smearer.set_Field(Ucur);
       for (int obs = 0; obs < Observables.size(); obs++) {
       	std::cout << GridLogDebug << "Observables # " << obs << std::endl;
       	std::cout << GridLogDebug << "Observables total " << Observables.size() << std::endl;
       	std::cout << GridLogDebug << "Observables pointer " << Observables[obs] << std::endl;
-        Observables[obs]->TrajectoryComplete(traj + 1, TheIntegrator.Smearer, sRNG, pRNG);
+        Observables[obs]->TrajectoryComplete(traj + 1, Ucur, sRNG, pRNG);
       }
       std::cout << GridLogHMC << ":::::::::::::::::::::::::::::::::::::::::::" << std::endl;
     }

Grid/qcd/hmc/checkpointers/BaseCheckpointer.h

@@ -35,16 +35,13 @@ class CheckpointerParameters : Serializable {
 public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(CheckpointerParameters, 
 				  std::string, config_prefix, 
-				  std::string, smeared_prefix, 
 				  std::string, rng_prefix, 
 				  int, saveInterval, 
-				  bool, saveSmeared, 
 				  std::string, format, );
 
-  CheckpointerParameters(std::string cf = "cfg", std::string sf="cfg_smr" , std::string rn = "rng",
+  CheckpointerParameters(std::string cf = "cfg", std::string rn = "rng",
 			 int savemodulo = 1, const std::string &f = "IEEE64BIG")
     : config_prefix(cf),
-      smeared_prefix(sf),
       rng_prefix(rn),
       saveInterval(savemodulo),
       format(f){};
@@ -64,21 +61,13 @@ template <class Impl>
 class BaseHmcCheckpointer : public HmcObservable<typename Impl::Field> {
 public:
   void build_filenames(int traj, CheckpointerParameters &Params,
-                       std::string &conf_file,
+                       std::string &conf_file, std::string &rng_file) {
-                       std::string &smear_file,
-		       std::string &rng_file) {
     {
       std::ostringstream os;
       os << Params.rng_prefix << "." << traj;
       rng_file = os.str();
     }
 
-    {
-      std::ostringstream os;
-      os << Params.smeared_prefix << "." << traj;
-      smear_file = os.str();
-    }
-
     {
       std::ostringstream os;
       os << Params.config_prefix << "." << traj;
@@ -95,11 +84,6 @@ public:
   }
   virtual void initialize(const CheckpointerParameters &Params) = 0;
 
-  virtual void TrajectoryComplete(int traj,
-                                  typename Impl::Field &U,
-                                  GridSerialRNG &sRNG,
-                                  GridParallelRNG &pRNG) { assert(0); } ; // HMC should pass the smart config with smeared and unsmeared
-  
   virtual void CheckpointRestore(int traj, typename Impl::Field &U,
                                  GridSerialRNG &sRNG,
                                  GridParallelRNG &pRNG) = 0;

Grid/qcd/hmc/checkpointers/BinaryCheckpointer.h

@@ -61,14 +61,11 @@ public:
     fout.close();
   }
 
-  void TrajectoryComplete(int traj,
+  void TrajectoryComplete(int traj, Field &U, GridSerialRNG &sRNG, GridParallelRNG &pRNG) {
-			  ConfigurationBase<Field> &SmartConfig,
-			  GridSerialRNG &sRNG, GridParallelRNG &pRNG)
-  {
 
     if ((traj % Params.saveInterval) == 0) {
-      std::string config, rng, smr;
+      std::string config, rng;
-      this->build_filenames(traj, Params, config, smr, rng);
+      this->build_filenames(traj, Params, config, rng);
 
       uint32_t nersc_csum;
       uint32_t scidac_csuma;
@@ -77,15 +74,9 @@ public:
       BinarySimpleUnmunger<sobj_double, sobj> munge;
       truncate(rng);
       BinaryIO::writeRNG(sRNG, pRNG, rng, 0,nersc_csum,scidac_csuma,scidac_csumb);
-      std::cout << GridLogMessage << "Written Binary RNG " << rng
-                << " checksum " << std::hex 
-		<< nersc_csum   <<"/"
-		<< scidac_csuma   <<"/"
-		<< scidac_csumb 
-		<< std::dec << std::endl;
-
       truncate(config);
-      BinaryIO::writeLatticeObject<vobj, sobj_double>(SmartConfig.get_U(false), config, munge, 0, Params.format,
+
+      BinaryIO::writeLatticeObject<vobj, sobj_double>(U, config, munge, 0, Params.format,
 						      nersc_csum,scidac_csuma,scidac_csumb);
 
       std::cout << GridLogMessage << "Written Binary Configuration " << config
@@ -94,18 +85,6 @@ public:
 		<< scidac_csuma   <<"/"
 		<< scidac_csumb 
 		<< std::dec << std::endl;
-
-      if ( Params.saveSmeared ) {
-	truncate(smr);
-	BinaryIO::writeLatticeObject<vobj, sobj_double>(SmartConfig.get_U(true), smr, munge, 0, Params.format,
-							nersc_csum,scidac_csuma,scidac_csumb);
-	std::cout << GridLogMessage << "Written Binary Smeared Configuration " << smr
-                << " checksum " << std::hex 
-		<< nersc_csum   <<"/"
-		<< scidac_csuma   <<"/"
-		<< scidac_csumb 
-		<< std::dec << std::endl;
-      }
     }
 
   };

Grid/qcd/hmc/checkpointers/ILDGCheckpointer.h

@@ -69,27 +69,17 @@ public:
     }
   }
 
-  void TrajectoryComplete(int traj,
+  void TrajectoryComplete(int traj, GaugeField &U, GridSerialRNG &sRNG,
-			  ConfigurationBase<GaugeField> &SmartConfig,
-			  GridSerialRNG &sRNG,
                           GridParallelRNG &pRNG) {
     if ((traj % Params.saveInterval) == 0) {
-      std::string config, rng, smr;
+      std::string config, rng;
       this->build_filenames(traj, Params, config, rng);
-      GridBase *grid = SmartConfig.get_U(false).Grid();
+      GridBase *grid = U.Grid();
       uint32_t nersc_csum,scidac_csuma,scidac_csumb;
       BinaryIO::writeRNG(sRNG, pRNG, rng, 0,nersc_csum,scidac_csuma,scidac_csumb);
-      std::cout << GridLogMessage << "Written BINARY RNG " << rng
-                << " checksum " << std::hex 
-		<< nersc_csum<<"/"
-		<< scidac_csuma<<"/"
-		<< scidac_csumb
-		<< std::dec << std::endl;
-
-      
       IldgWriter _IldgWriter(grid->IsBoss());
       _IldgWriter.open(config);
-      _IldgWriter.writeConfiguration<GaugeStats>(SmartConfig.get_U(false), traj, config, config);
+      _IldgWriter.writeConfiguration<GaugeStats>(U, traj, config, config);
       _IldgWriter.close();
 
       std::cout << GridLogMessage << "Written ILDG Configuration on " << config
@@ -98,21 +88,6 @@ public:
 		<< scidac_csuma<<"/"
 		<< scidac_csumb
 		<< std::dec << std::endl;
-
-      if ( Params.saveSmeared ) { 
-	IldgWriter _IldgWriter(grid->IsBoss());
-	_IldgWriter.open(smr);
-	_IldgWriter.writeConfiguration<GaugeStats>(SmartConfig.get_U(true), traj, config, config);
-	_IldgWriter.close();
-
-	std::cout << GridLogMessage << "Written ILDG Configuration on " << smr
-                << " checksum " << std::hex 
-		<< nersc_csum<<"/"
-		<< scidac_csuma<<"/"
-		<< scidac_csumb
-		<< std::dec << std::endl;
-      }
-
     }
   };
 

Grid/qcd/hmc/checkpointers/NerscCheckpointer.h

@@ -52,29 +52,23 @@ public:
     Params.format = "IEEE64BIG";  // fixed, overwrite any other choice
   }
 
-  virtual void TrajectoryComplete(int traj,
+  void TrajectoryComplete(int traj, GaugeField &U, GridSerialRNG &sRNG,
-                                  ConfigurationBase<GaugeField> &SmartConfig,
+                          GridParallelRNG &pRNG) {
-                                  GridSerialRNG &sRNG,
-                                  GridParallelRNG &pRNG)
-  {
     if ((traj % Params.saveInterval) == 0) {
-      std::string config, rng, smr;
+      std::string config, rng;
-      this->build_filenames(traj, Params, config, smr, rng);
+      this->build_filenames(traj, Params, config, rng);
 
       int precision32 = 1;
       int tworow = 0;
       NerscIO::writeRNGState(sRNG, pRNG, rng);
-      NerscIO::writeConfiguration<GaugeStats>(SmartConfig.get_U(false), config, tworow, precision32);
+      NerscIO::writeConfiguration<GaugeStats>(U, config, tworow, precision32);
-      if ( Params.saveSmeared ) {
-	NerscIO::writeConfiguration<GaugeStats>(SmartConfig.get_U(true), smr, tworow, precision32);
-      }
     }
   };
 
   void CheckpointRestore(int traj, GaugeField &U, GridSerialRNG &sRNG,
                          GridParallelRNG &pRNG) {
-    std::string config, rng, smr;
+    std::string config, rng;
-    this->build_filenames(traj, Params, config, smr, rng );
+    this->build_filenames(traj, Params, config, rng);
     this->check_filename(rng);
     this->check_filename(config);
 

Grid/qcd/hmc/checkpointers/ScidacCheckpointer.h

@@ -70,37 +70,19 @@ class ScidacHmcCheckpointer : public BaseHmcCheckpointer<Implementation> {
     }
   }
 
-  void TrajectoryComplete(int traj, 
+  void TrajectoryComplete(int traj, Field &U, GridSerialRNG &sRNG,
-			  ConfigurationBase<Field> &SmartConfig,
-			  GridSerialRNG &sRNG,
                           GridParallelRNG &pRNG) {
     if ((traj % Params.saveInterval) == 0) {
-      std::string config, rng,smr;
+      std::string config, rng;
-      this->build_filenames(traj, Params, config, smr, rng);
+      this->build_filenames(traj, Params, config, rng);
-      GridBase *grid = SmartConfig.get_U(false).Grid();
+      GridBase *grid = U.Grid();
       uint32_t nersc_csum,scidac_csuma,scidac_csumb;
       BinaryIO::writeRNG(sRNG, pRNG, rng, 0,nersc_csum,scidac_csuma,scidac_csumb);
-      std::cout << GridLogMessage << "Written Binary RNG " << rng
-                << " checksum " << std::hex 
-		<< nersc_csum   <<"/"
-		<< scidac_csuma   <<"/"
-		<< scidac_csumb 
-		<< std::dec << std::endl;
-
-
-      {
       ScidacWriter _ScidacWriter(grid->IsBoss());
       _ScidacWriter.open(config);
-	_ScidacWriter.writeScidacFieldRecord(SmartConfig.get_U(false), MData);
+      _ScidacWriter.writeScidacFieldRecord(U, MData);
       _ScidacWriter.close();
-      }
 
-      if ( Params.saveSmeared ) {
-	ScidacWriter _ScidacWriter(grid->IsBoss());
-	_ScidacWriter.open(smr);
-	_ScidacWriter.writeScidacFieldRecord(SmartConfig.get_U(true), MData);
-	_ScidacWriter.close();
-      }
       std::cout << GridLogMessage << "Written Scidac Configuration on " << config << std::endl;
     }
   };

Grid/qcd/hmc/integrators/Integrator.h

@@ -9,7 +9,6 @@ Copyright (C) 2015
 Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 Author: Guido Cossu <cossu@post.kek.jp>
-Author: Chulwoo Jung <chulwoo@bnl.gov>
 
 This program is free software; you can redistribute it and/or modify
 it under the terms of the GNU General Public License as published by
@@ -34,7 +33,6 @@ directory
 #define INTEGRATOR_INCLUDED
 
 #include <memory>
-#include <Grid/parallelIO/NerscIO.h>
 
 NAMESPACE_BEGIN(Grid);
 
@@ -43,19 +41,10 @@ public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(IntegratorParameters,
 				  std::string, name,      // name of the integrator
 				  unsigned int, MDsteps,  // number of outer steps
-				  RealD, RMHMCTol,
-                                  RealD, RMHMCCGTol,
-                                  RealD, lambda0,
-                                  RealD, lambda1,
-                                  RealD, lambda2,
 				  RealD, trajL)           // trajectory length
 
   IntegratorParameters(int MDsteps_ = 10, RealD trajL_ = 1.0)
   : MDsteps(MDsteps_),
-   lambda0(0.1931833275037836),
-   lambda1(0.1931833275037836),
-   lambda2(0.1931833275037836),
-   RMHMCTol(1e-8),RMHMCCGTol(1e-8),
     trajL(trajL_) {};
 
   template <class ReaderClass, typename std::enable_if<isReader<ReaderClass>::value, int >::type = 0 >
@@ -77,7 +66,6 @@ public:
 template <class FieldImplementation_, class SmearingPolicy, class RepresentationPolicy>
 class Integrator {
 protected:
-public:
   typedef FieldImplementation_ FieldImplementation;
   typedef typename FieldImplementation::Field MomentaField;  //for readability
   typedef typename FieldImplementation::Field Field;
@@ -86,14 +74,11 @@ public:
   double t_U;  // Track time passing on each level and for U and for P
   std::vector<double> t_P;  
 
-//  MomentaField P;
+  MomentaField P;
-  GeneralisedMomenta<FieldImplementation > P;
   SmearingPolicy& Smearer;
   RepresentationPolicy Representations;
   IntegratorParameters Params;
 
-  RealD Saux,Smom,Sg;
-
   //Filters allow the user to manipulate the conjugate momentum, for example to freeze links in DDHMC
   //It is applied whenever the momentum is updated / refreshed
   //The default filter does nothing
@@ -110,15 +95,7 @@ public:
   void update_P(Field& U, int level, double ep) 
   {
     t_P[level] += ep;
-    update_P(P.Mom, U, level, ep);
+    update_P(P, U, level, ep);
-
-    std::cout << GridLogIntegrator << "[" << level << "] P " << " dt " << ep << " : t_P " << t_P[level] << std::endl;
-  }
-
-  void update_P2(Field& U, int level, double ep) 
-  {
-    t_P[level] += ep;
-    update_P2(P.Mom, U, level, ep);
 
     std::cout << GridLogIntegrator << "[" << level << "] P " << " dt " << ep << " : t_P " << t_P[level] << std::endl;
   }
@@ -142,174 +119,70 @@ public:
     }
   } 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();
+
+      std::cout << GridLogMessage << "AuditForce["<<level<<"]["<<a<<"] before"<<std::endl;
+      
+      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 << GridLogMessage << "AuditForce["<<level<<"]["<<a<<"] after"<<std::endl;
 
       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;
+      //      DumpSliceNorm("force ",force,Nd-1);
+      MomFilter->applyFilter(force);
+      std::cout << GridLogIntegrator << " update_P : Level [" << level <<"]["<<a <<"] "<<name<<" dt "<<ep<<  std::endl;
+      DumpSliceNorm("force filtered ",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,impulse_abs,impulse_max);
+      
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] dt           : " << ep <<" "<<name<<std::endl;
+      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);
-  }
 
-  void update_P2(MomentaField& Mom, Field& U, int level, double ep) {
-    // input U actually not used in the fundamental case
-    // Fundamental updates, include smearing
-
-    std::cout << GridLogIntegrator << "U before update_P2: " << std::sqrt(norm2(U)) << std::endl;
-    // Generalised momenta  
-    // Derivative of the kinetic term must be computed before
-    // Mom is the momenta and gets updated by the 
-    // actions derivatives
-    MomentaField MomDer(P.Mom.Grid());
-    P.M.ImportGauge(U);
-    P.DerivativeU(P.Mom, MomDer);
-    std::cout << GridLogIntegrator << "MomDer update_P2: " << std::sqrt(norm2(MomDer)) << std::endl;
-//    Mom -= MomDer * ep;
-    Mom -= MomDer * ep * HMC_MOMENTUM_DENOMINATOR;
-    std::cout << GridLogIntegrator << "Mom update_P2: " << std::sqrt(norm2(Mom)) << std::endl;
-
-    // Auxiliary fields
-    P.update_auxiliary_momenta(ep*0.5 );
-    P.AuxiliaryFieldsDerivative(MomDer);
-    std::cout << GridLogIntegrator << "MomDer(Aux) update_P2: " << std::sqrt(norm2(Mom)) << std::endl;
-//    Mom -= MomDer * ep;
-    Mom -= MomDer * ep * HMC_MOMENTUM_DENOMINATOR;
-    P.update_auxiliary_momenta(ep*0.5 );
-
-    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(Us, force);  // deriv should NOT include Ta
-
-      std::cout << GridLogIntegrator << "Smearing (on/off): " << as[level].actions.at(a)->is_smeared << std::endl;
-      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;
-      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);
-  }
-
-  void implicit_update_P(Field& U, int level, double ep, double ep1, bool intermediate = false) {
-    t_P[level] += ep;
-
-    double ep2= ep-ep1;
-
-    std::cout << GridLogIntegrator << "[" << level << "] P "
-              << " dt " << ep << " : t_P " << t_P[level] << std::endl;
-    std::cout << GridLogIntegrator << "U before implicit_update_P: " << std::sqrt(norm2(U)) << std::endl;
-    // Fundamental updates, include smearing
-    MomentaField Msum(P.Mom.Grid());
-    Msum = Zero();
-    for (int a = 0; a < as[level].actions.size(); ++a) {
-      // Compute the force terms for the lagrangian part
-      // We need to compute the derivative of the actions
-      // only once
-      Field force(U.Grid());
-      conformable(U.Grid(), P.Mom.Grid());
-      Field& Us = Smearer.get_U(as[level].actions.at(a)->is_smeared);
-      as[level].actions.at(a)->deriv(Us, force);  // deriv should NOT include Ta
-
-      std::cout << GridLogIntegrator << "Smearing (on/off): " << as[level].actions.at(a)->is_smeared << std::endl;
-      if (as[level].actions.at(a)->is_smeared) Smearer.smeared_force(force);
-      force = FieldImplementation::projectForce(force);  // Ta for gauge fields
-      Real force_abs = std::sqrt(norm2(force) / U.Grid()->gSites());
-      std::cout << GridLogIntegrator << "|Force| site average: " << force_abs
-                << std::endl;
-      Msum += force;
-    }
-
-    MomentaField NewMom = P.Mom;
-    MomentaField OldMom = P.Mom;
-    double threshold = Params.RMHMCTol;
-    P.M.ImportGauge(U);
-    MomentaField MomDer(P.Mom.Grid());
-    MomentaField MomDer1(P.Mom.Grid());
-    MomentaField AuxDer(P.Mom.Grid());
-    MomDer1 = Zero();
-    MomentaField diff(P.Mom.Grid());
-    double factor = 2.0;
-    if (intermediate){
-      P.DerivativeU(P.Mom, MomDer1);
-      factor = 1.0;
-    }
-//    std::cout << GridLogIntegrator << "MomDer1 implicit_update_P: " << std::sqrt(norm2(MomDer1)) << std::endl;
-
-    // Auxiliary fields
-    P.update_auxiliary_momenta(ep1);
-    P.AuxiliaryFieldsDerivative(AuxDer);
-    Msum += AuxDer;
-    
-
-    // Here run recursively
-    int counter = 1;
-    RealD RelativeError;
-    do {
-      std::cout << GridLogIntegrator << "UpdateP implicit step "<< counter << std::endl;
-
-      // Compute the derivative of the kinetic term
-      // with respect to the gauge field
-      P.DerivativeU(NewMom, MomDer);
-      Real force_abs = std::sqrt(norm2(MomDer) / U.Grid()->gSites());
-      std::cout << GridLogIntegrator << "|Force| laplacian site average: " << force_abs
-                << std::endl;
-
-//      NewMom = P.Mom - ep* 0.5 * HMC_MOMENTUM_DENOMINATOR * (2.0*Msum + factor*MomDer + MomDer1);// simplify
-      NewMom = P.Mom -  HMC_MOMENTUM_DENOMINATOR * (ep*Msum + ep1* factor*MomDer + ep2* MomDer1);// simplify
-      diff = NewMom - OldMom;
-      counter++;
-      RelativeError = std::sqrt(norm2(diff))/std::sqrt(norm2(NewMom));
-      std::cout << GridLogIntegrator << "UpdateP RelativeError: " << RelativeError << std::endl;
-      OldMom = NewMom;
-    } while (RelativeError > threshold);
-
-    P.Mom = NewMom;
-    std::cout << GridLogIntegrator << "NewMom implicit_update_P: " << std::sqrt(norm2(NewMom)) << std::endl;
-
-    // update the auxiliary fields momenta    
-    P.update_auxiliary_momenta(ep2);
-  }
-
-  void implicit_update_P(Field& U, int level, double ep, bool intermediate = false) {
-      implicit_update_P( U, level, ep, ep*0.5, intermediate ); 
   }
 
   void update_U(Field& U, double ep) 
   {
-    update_U(P.Mom, U, ep);
+    update_U(P, U, ep);
 
     t_U += ep;
     int fl = levels - 1;
@@ -318,8 +191,12 @@ public:
   
   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);
@@ -328,74 +205,18 @@ public:
     Representations.update(U);  // void functions if fundamental representation
   }
 
-  void implicit_update_U(Field&U, double ep, double ep1 ){
-    double ep2=ep-ep1;
-    t_U += ep;
-    int fl = levels - 1;
-    std::cout << GridLogIntegrator << "   " << "[" << fl << "] U " << " dt " << ep << " : t_U " << t_U << std::endl;
-    std::cout << GridLogIntegrator << "U before implicit_update_U: " << std::sqrt(norm2(U)) << std::endl;
-
-    MomentaField Mom1(P.Mom.Grid());
-    MomentaField Mom2(P.Mom.Grid());
-    RealD RelativeError;
-    Field diff(U.Grid());
-    Real threshold =  Params.RMHMCTol;
-    int counter = 1;
-    int MaxCounter = 100;
-
-    Field OldU = U;
-    Field NewU = U;
-
-    P.M.ImportGauge(U);
-    P.DerivativeP(Mom1); // first term in the derivative 
-    std::cout << GridLogIntegrator << "implicit_update_U: Mom1: " << std::sqrt(norm2(Mom1)) << std::endl;
-
-    P.update_auxiliary_fields(ep1);
-
-
-    MomentaField sum=Mom1;
-    do {
-      std::cout << GridLogIntegrator << "UpdateU implicit step "<< counter << std::endl;
-      
-      P.DerivativeP(Mom2); // second term in the derivative, on the updated U
-      std::cout << GridLogIntegrator << "implicit_update_U: Mom1: " << std::sqrt(norm2(Mom1)) << std::endl;
-      sum = (Mom1*ep1 + Mom2*ep2);
-
-      for (int mu = 0; mu < Nd; mu++) {
-        auto Umu = PeekIndex<LorentzIndex>(U, mu);
-        auto Pmu = PeekIndex<LorentzIndex>(sum, mu);
-        Umu = expMat(Pmu, 1, 12) * Umu;
-        PokeIndex<LorentzIndex>(NewU, ProjectOnGroup(Umu), mu);
-      }
-
-      diff = NewU - OldU;
-      RelativeError = std::sqrt(norm2(diff))/std::sqrt(norm2(NewU));
-      std::cout << GridLogIntegrator << "UpdateU RelativeError: " << RelativeError << std::endl;
-      
-      P.M.ImportGauge(NewU);
-      OldU = NewU; // some redundancy to be eliminated
-      counter++;
-    } while (RelativeError > threshold && counter < MaxCounter);
-
-    U = NewU;
-    std::cout << GridLogIntegrator << "NewU implicit_update_U: " << std::sqrt(norm2(U)) << std::endl;
-    P.update_auxiliary_fields(ep2);
-  }
-
-
   virtual void step(Field& U, int level, int first, int last) = 0;
 
 public:
   Integrator(GridBase* grid, IntegratorParameters Par,
              ActionSet<Field, RepresentationPolicy>& Aset,
-             SmearingPolicy& Sm, Metric<MomentaField>& M)
+             SmearingPolicy& Sm)
     : Params(Par),
       as(Aset),
-      P(grid, M),
+      P(grid),
       levels(Aset.size()),
       Smearer(Sm),
-      Representations(grid),
+      Representations(grid) 
-      Saux(0.),Smom(0.),Sg(0.)
   {
     t_P.resize(levels, 0.0);
     t_U = 0.0;
@@ -511,8 +332,7 @@ public:
 
   void reverse_momenta()
   {
-    P.Mom *= -1.0;
+    P *= -1.0;
-    P.AuxMom *= -1.0;
   }
 
   // to be used by the actionlevel class to iterate
@@ -531,14 +351,11 @@ public:
   // Initialization of momenta and actions
   void refresh(Field& U,  GridSerialRNG & sRNG, GridParallelRNG& pRNG) 
   {
-    assert(P.Mom.Grid() == U.Grid());
+    assert(P.Grid() == U.Grid());
     std::cout << GridLogIntegrator << "Integrator refresh" << std::endl;
 
     std::cout << GridLogIntegrator << "Generating momentum" << std::endl;
-//    FieldImplementation::generate_momenta(P.Mom, sRNG, pRNG);
+    FieldImplementation::generate_momenta(P, sRNG, pRNG);
-    P.M.ImportGauge(U);
-    P.MomentaDistribution(sRNG,pRNG);
-
 
     // Update the smeared fields, can be implemented as observer
     // necessary to keep the fields updated even after a reject
@@ -560,9 +377,14 @@ public:
 	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);
+
+	std::cout << GridLogMessage << "AuditRefresh["<<level<<"]["<<actionID<<"] before"<<std::endl;
+
 	as[level].actions.at(actionID)->refresh_timer_start();
-        as[level].actions.at(actionID)->refresh(Smearer, sRNG, pRNG);
+        as[level].actions.at(actionID)->refresh(Us, sRNG, pRNG);
 	as[level].actions.at(actionID)->refresh_timer_stop();
+	std::cout << GridLogMessage << "AuditRefresh["<<level<<"]["<<actionID<<"] after"<<std::endl;
 
       }
 
@@ -593,22 +415,9 @@ public:
 
     std::cout << GridLogIntegrator << "Integrator action\n";
 
-//    RealD H = - FieldImplementation::FieldSquareNorm(P.Mom)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
+    RealD H = - FieldImplementation::FieldSquareNorm(P)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
-//    RealD Hterm;
-
-//    static RealD Saux=0.,Smom=0.,Sg=0.;
-
-    RealD H = - FieldImplementation::FieldSquareNorm(P.Mom)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
-    std::cout << GridLogMessage << "S:FieldSquareNorm H_p = " << H << "\n";
-    std::cout << GridLogMessage << "S:dSField = " << H-Smom << "\n";
-    Smom=H;
-    P.M.ImportGauge(U);
-    RealD Hterm = - P.MomentaAction();
-    std::cout << GridLogMessage << "S:Momentum action H_p = " << Hterm << "\n";
-    std::cout << GridLogMessage << "S:dSMom = " << Hterm-Saux << "\n";
-    Saux=Hterm;
-    H = Hterm;
 
+    RealD Hterm;
 
     // Actions
     for (int level = 0; level < as.size(); ++level) {
@@ -616,9 +425,10 @@ public:
 
         // get gauge field from the SmearingPolicy and
         // 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(Smearer);
+        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;
@@ -650,28 +460,20 @@ public:
 
     std::cout << GridLogIntegrator << "Integrator initial action\n";
 
-//    RealD H = - FieldImplementation::FieldSquareNorm(P.Mom)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
+    RealD H = - FieldImplementation::FieldSquareNorm(P)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
-//    RealD Hterm;
+
-    RealD H = - FieldImplementation::FieldSquareNorm(P.Mom)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
+    RealD Hterm;
-    std::cout << GridLogMessage << "S:FieldSquareNorm H_p = " << H << "\n";
-    std::cout << GridLogMessage << "S:dSField = " << H-Smom << "\n";
-    Smom=H;
-    P.M.ImportGauge(U);
-    RealD Hterm = - P.MomentaAction();
-    std::cout << GridLogMessage << "S:Momentum action H_p = " << Hterm << "\n";
-    std::cout << GridLogMessage << "S:dSMom = " << Hterm-Saux << "\n";
-    Saux=Hterm;
-    H = Hterm;
 
     // Actions
     for (int level = 0; level < as.size(); ++level) {
       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
+        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(Smearer);
+
+        Hterm = as[level].actions.at(actionID)->Sinitial(Us);
    	        as[level].actions.at(actionID)->S_timer_stop();
 
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
@@ -684,7 +486,7 @@ public:
   }
 
   
-  void integrate(Field& U, int traj=-1 ) 
+  void integrate(Field& U) 
   {
     // reset the clocks
     t_U = 0;
@@ -696,12 +498,6 @@ public:
       int first_step = (stp == 0);
       int last_step = (stp == Params.MDsteps - 1);
       this->step(U, 0, first_step, last_step);
-      if (traj>=0){
-        std::string file("./config."+std::to_string(traj)+"_"+std::to_string(stp+1) );
-        int precision32 = 0;
-        int tworow      = 0;
-        NerscIO::writeConfiguration(U,file,tworow,precision32);
-      }
     }
 
     // Check the clocks all match on all levels
@@ -711,6 +507,7 @@ public:
     }
 
     FieldImplementation::Project(U);
+
     // and that we indeed got to the end of the trajectory
     assert(fabs(t_U - Params.trajL) < 1.0e-6);
 

Grid/qcd/hmc/integrators/Integrator_algorithm.h

@@ -102,8 +102,8 @@ public:
 
   std::string integrator_name(){return "LeapFrog";}
 
-  LeapFrog(GridBase* grid, IntegratorParameters Par, ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm, Metric<Field>& M)
+  LeapFrog(GridBase* grid, IntegratorParameters Par, ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm)
-    : Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(grid, Par, Aset, Sm,M){};
+    : Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(grid, Par, Aset, Sm){};
 
   void step(Field& U, int level, int _first, int _last) {
     int fl = this->as.size() - 1;
@@ -140,14 +140,14 @@ template <class FieldImplementation_, class SmearingPolicy, class Representation
 class MinimumNorm2 : public Integrator<FieldImplementation_, SmearingPolicy, RepresentationPolicy> 
 {
 private:
-//  const RealD lambda = 0.1931833275037836;
+  const RealD lambda = 0.1931833275037836;
 
 public:
   typedef FieldImplementation_ FieldImplementation;
   INHERIT_FIELD_TYPES(FieldImplementation);
 
-  MinimumNorm2(GridBase* grid, IntegratorParameters Par, ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm, Metric<Field>& M)
+  MinimumNorm2(GridBase* grid, IntegratorParameters Par, ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm)
-    : Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(grid, Par, Aset, Sm,M){};
+    : Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(grid, Par, Aset, Sm){};
 
   std::string integrator_name(){return "MininumNorm2";}
 
@@ -155,11 +155,6 @@ public:
     // level  : current level
     // fl     : final level
     // eps    : current step size
-    assert(level<3);
-    RealD lambda= this->Params.lambda0;
-    if (level>0) lambda= this->Params.lambda1;
-    if (level>1) lambda= this->Params.lambda2;
-    std::cout << GridLogMessage << "level: "<<level<< "lambda: "<<lambda<<std::endl;
 
     int fl = this->as.size() - 1;
 
@@ -215,9 +210,9 @@ public:
   // Looks like dH scales as dt^4. tested wilson/wilson 2 level.
   ForceGradient(GridBase* grid, IntegratorParameters Par,
                 ActionSet<Field, RepresentationPolicy>& Aset,
-                SmearingPolicy& Sm, Metric<Field>& M)
+                SmearingPolicy& Sm)
     : Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(
-									    grid, Par, Aset, Sm,M){};
+									    grid, Par, Aset, Sm){};
 
   std::string integrator_name(){return "ForceGradient";}
   
@@ -280,255 +275,6 @@ public:
   }
 };
 
-////////////////////////////////
-// Riemannian Manifold HMC
-// Girolami et al
-////////////////////////////////
-
-
-
-// correct
-template <class FieldImplementation, class SmearingPolicy,
-          class RepresentationPolicy =
-              Representations<FundamentalRepresentation> >
-class ImplicitLeapFrog : public Integrator<FieldImplementation, SmearingPolicy,
-                                           RepresentationPolicy> {
- public:
-  typedef ImplicitLeapFrog<FieldImplementation, SmearingPolicy, RepresentationPolicy>
-      Algorithm;
-  INHERIT_FIELD_TYPES(FieldImplementation);
-
-  // Riemannian manifold metric operator
-  // Hermitian operator Fisher
-
-  std::string integrator_name(){return "ImplicitLeapFrog";}
-
-  ImplicitLeapFrog(GridBase* grid, IntegratorParameters Par,
-           ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm, Metric<Field>& M)
-      : Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(
-            grid, Par, Aset, Sm, M){};
-
-  void step(Field& U, int level, int _first, int _last) {
-    int fl = this->as.size() - 1;
-    // level  : current level
-    // fl     : final level
-    // eps    : current step size
-
-    // Get current level step size
-    RealD eps = this->Params.trajL/this->Params.MDsteps;
-    for (int l = 0; l <= level; ++l) eps /= this->as[l].multiplier;
-
-    int multiplier = this->as[level].multiplier;
-    for (int e = 0; e < multiplier; ++e) {
-      int first_step = _first && (e == 0);
-      int last_step = _last && (e == multiplier - 1);
-
-      if (first_step) {  // initial half step
-       this->implicit_update_P(U, level, eps / 2.0);
-      }
-
-      if (level == fl) {  // lowest level
-        this->implicit_update_U(U, eps,eps/2.);
-      } else {  // recursive function call
-        this->step(U, level + 1, first_step, last_step);
-      }
-
-      //int mm = last_step ? 1 : 2;
-      if (last_step){
-        this->update_P2(U, level, eps / 2.0);
-      } else {
-      this->implicit_update_P(U, level, eps, true);// works intermediate step
-      }
-    }
-  }
-};
-
-
-template <class FieldImplementation, class SmearingPolicy,
-          class RepresentationPolicy =
-              Representations<FundamentalRepresentation> >
-class ImplicitMinimumNorm2 : public Integrator<FieldImplementation, SmearingPolicy,
-                                       RepresentationPolicy> {
- private:
-//  const RealD lambda = 0.1931833275037836;
-
- public:
-  INHERIT_FIELD_TYPES(FieldImplementation);
-
-  ImplicitMinimumNorm2(GridBase* grid, IntegratorParameters Par,
-               ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm, Metric<Field>& M)
-      : Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(
-            grid, Par, Aset, Sm, M){};
-
-  std::string integrator_name(){return "ImplicitMininumNorm2";}
-
-  void step(Field& U, int level, int _first, int _last) {
-    // level  : current level
-    // fl     : final level
-    // eps    : current step size
-
-    int fl = this->as.size() - 1;
-//    assert(Params.lambda.size()>level);
-//    RealD lambda= Params.lambda[level];
-    assert(level<3);
-    RealD lambda= this->Params.lambda0;
-    if (level>0) lambda= this->Params.lambda1;
-    if (level>1) lambda= this->Params.lambda2;
-    std::cout << GridLogMessage << "level: "<<level<< "lambda: "<<lambda<<std::endl;
-
-  if(level<fl){
-
-    RealD eps = this->Params.trajL/this->Params.MDsteps * 2.0;
-    for (int l = 0; l <= level; ++l) eps /= 2.0 * this->as[l].multiplier;
-
-    // Nesting:  2xupdate_U of size eps/2
-    // Next level is eps/2/multiplier
-
-    int multiplier = this->as[level].multiplier;
-    for (int e = 0; e < multiplier; ++e) {  // steps per step
-
-      int first_step = _first && (e == 0);
-      int last_step = _last && (e == multiplier - 1);
-
-      if (first_step) {  // initial half step
-        this->update_P(U, level, lambda * eps);
-      }
-
-        this->step(U, level + 1, first_step, 0);
-
-      this->update_P(U, level, (1.0 - 2.0 * lambda) * eps);
-
-        this->step(U, level + 1, 0, last_step);
-
-      int mm = (last_step) ? 1 : 2;
-      this->update_P(U, level, lambda * eps * mm);
-    }
-  } 
-  else 
-  { // last level
-    RealD eps = this->Params.trajL/this->Params.MDsteps * 2.0;
-    for (int l = 0; l <= level; ++l) eps /= 2.0 * this->as[l].multiplier;
-
-    // Nesting:  2xupdate_U of size eps/2
-    // Next level is eps/2/multiplier
-
-    int multiplier = this->as[level].multiplier;
-    for (int e = 0; e < multiplier; ++e) {  // steps per step
-
-      int first_step = _first && (e == 0);
-      int last_step = _last && (e == multiplier - 1);
-
-      if (first_step) {  // initial half step
-        this->implicit_update_P(U, level, lambda * eps);
-      }
-
-      this->implicit_update_U(U, 0.5 * eps,lambda*eps);
-
-      this->implicit_update_P(U, level, (1.0 - 2.0 * lambda) * eps, true);
-
-      this->implicit_update_U(U, 0.5 * eps, (0.5-lambda)*eps);
-
-      if (last_step) {
-        this->update_P2(U, level, eps * lambda);
-      } else {
-        this->implicit_update_P(U, level, lambda * eps*2.0, true);
-      }
-    }
-  }
-
-  }
-};
-
-template <class FieldImplementation, class SmearingPolicy,
-          class RepresentationPolicy =
-              Representations<FundamentalRepresentation> >
-class ImplicitCampostrini : public Integrator<FieldImplementation, SmearingPolicy,
-                                       RepresentationPolicy> {
- private:
-//  const RealD lambda = 0.1931833275037836;
-
- public:
-  INHERIT_FIELD_TYPES(FieldImplementation);
-
-  ImplicitCampostrini(GridBase* grid, IntegratorParameters Par,
-               ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm, Metric<Field>& M)
-      : Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(
-            grid, Par, Aset, Sm, M){};
-
-  std::string integrator_name(){return "ImplicitCampostrini";}
-
-  void step(Field& U, int level, int _first, int _last) {
-    // level  : current level
-    // fl     : final level
-    // eps    : current step size
-
-    int fl = this->as.size() - 1;
-//    assert(Params.lambda.size()>level);
-//    RealD lambda= Params.lambda[level];
-    assert(level<3);
-    RealD lambda= this->Params.lambda0;
-    if (level>0) lambda= this->Params.lambda1;
-    if (level>1) lambda= this->Params.lambda2;
-    std::cout << GridLogMessage << "level: "<<level<< "lambda: "<<lambda<<std::endl;
-    
-    RealD sigma=pow(2.0,1./3.);
-
-  if(level<fl){
-//Still Omelyan. Needs to change step() to accept variable stepsize
-    RealD eps = this->Params.trajL/this->Params.MDsteps * 2.0;
-    for (int l = 0; l <= level; ++l) eps /= 2.0 * this->as[l].multiplier;
-
-    // Nesting:  2xupdate_U of size eps/2
-    // Next level is eps/2/multiplier
-
-    int multiplier = this->as[level].multiplier;
-    for (int e = 0; e < multiplier; ++e) {  // steps per step
-
-      int first_step = _first && (e == 0);
-      int last_step = _last && (e == multiplier - 1);
-
-      if (first_step) {  // initial half step
-        this->update_P(U, level, lambda * eps);
-      }
-
-        this->step(U, level + 1, first_step, 0);
-
-      this->update_P(U, level, (1.0 - 2.0 * lambda) * eps);
-
-        this->step(U, level + 1, 0, last_step);
-
-      int mm = (last_step) ? 1 : 2;
-      this->update_P(U, level, lambda * eps * mm);
-    }
-  } 
-  else 
-  { // last level
-    RealD dt = this->Params.trajL/this->Params.MDsteps * 2.0;
-    for (int l = 0; l <= level; ++l) dt /= 2.0 * this->as[l].multiplier;
-
-    RealD epsilon = dt/(2.0 - sigma);
-
-    int multiplier = this->as[level].multiplier;
-    for (int e = 0; e < multiplier; ++e) {  // steps per step
-
-      int first_step = _first && (e == 0);
-      int last_step = _last && (e == multiplier - 1);
-      // initial half step
-      if (first_step) {  this->implicit_update_P(U, level, epsilon*0.5); }
-      this->implicit_update_U(U, epsilon,epsilon*0.5);
-      this->implicit_update_P(U, level, (1.0 - sigma) * epsilon *0.5, epsilon*0.5, true);
-      this->implicit_update_U(U, -epsilon*sigma, -epsilon*sigma*0.5);
-      this->implicit_update_P(U, level, (1.0 - sigma) * epsilon *0.5, -epsilon*sigma*0.5, true);
-      this->implicit_update_U(U, epsilon,epsilon*0.5);
-      if (last_step) { this->update_P2(U, level, epsilon*0.5 ); } 
-      else
-      this->implicit_update_P(U, level, epsilon,epsilon*0.5);
-    }
-  }
-
-  }
-};
-
 NAMESPACE_END(Grid);
 
 #endif  // INTEGRATOR_INCLUDED

Grid/qcd/observables/hmc_observable.h

@@ -34,13 +34,6 @@ NAMESPACE_BEGIN(Grid);
 template <class Field>
 class HmcObservable {
  public:
-  virtual void TrajectoryComplete(int traj,
-                                  ConfigurationBase<Field> &SmartConfig,
-                                  GridSerialRNG &sRNG,
-                                  GridParallelRNG &pRNG)
-  {
-    TrajectoryComplete(traj,SmartConfig.get_U(false),sRNG,pRNG); // Unsmeared observable
-  };
   virtual void TrajectoryComplete(int traj,
                                   Field &U,
                                   GridSerialRNG &sRNG,

Grid/qcd/observables/plaquette.h

@@ -42,18 +42,6 @@ public:
   // necessary for HmcObservable compatibility
   typedef typename Impl::Field Field;
 
-  virtual void TrajectoryComplete(int traj,
-                                  ConfigurationBase<Field> &SmartConfig,
-                                  GridSerialRNG &sRNG,
-                                  GridParallelRNG &pRNG)
-  {
-    std::cout << GridLogMessage << "+++++++++++++++++++"<<std::endl;
-    std::cout << GridLogMessage << "Unsmeared plaquette"<<std::endl;
-    TrajectoryComplete(traj,SmartConfig.get_U(false),sRNG,pRNG); // Unsmeared observable
-    std::cout << GridLogMessage << "Smeared plaquette"<<std::endl;
-    TrajectoryComplete(traj,SmartConfig.get_U(true),sRNG,pRNG); // Unsmeared observable
-    std::cout << GridLogMessage << "+++++++++++++++++++"<<std::endl;
-  };
   void TrajectoryComplete(int traj,
                           Field &U,
                           GridSerialRNG &sRNG,

Grid/qcd/representations/fundamental.h

@@ -13,7 +13,7 @@ NAMESPACE_BEGIN(Grid);
  * Empty since HMC updates already the fundamental representation 
  */
 
-template <int ncolour, class group_name>
+template <int ncolour>
 class FundamentalRep {
 public:
   static const int Dimension = ncolour;
@@ -21,7 +21,7 @@ public:
 
   // typdef to be used by the Representations class in HMC to get the
   // types for the higher representation fields
-  typedef typename GaugeGroup<ncolour,group_name>::LatticeMatrix LatticeMatrix;
+  typedef typename SU<ncolour>::LatticeMatrix LatticeMatrix;
   typedef LatticeGaugeField LatticeField;
   
   explicit FundamentalRep(GridBase* grid) {} //do nothing
@@ -45,8 +45,7 @@ public:
     
 
   
-typedef	 FundamentalRep<Nc,GroupName::SU> FundamentalRepresentation;
+typedef	 FundamentalRep<Nc> FundamentalRepresentation;
-typedef	 FundamentalRep<Nc,GroupName::Sp> SpFundamentalRepresentation;
 
 NAMESPACE_END(Grid);  
 

Grid/qcd/representations/two_index.h

@@ -20,14 +20,14 @@ NAMESPACE_BEGIN(Grid);
  * in the SUnTwoIndex.h file
  */
 
-template <int ncolour, TwoIndexSymmetry S, class group_name = GroupName::SU>
+template <int ncolour, TwoIndexSymmetry S>
 class TwoIndexRep {
 public:
   // typdef to be used by the Representations class in HMC to get the
   // types for the higher representation fields
-  typedef typename GaugeGroupTwoIndex<ncolour, S, group_name>::LatticeTwoIndexMatrix LatticeMatrix;
+  typedef typename SU_TwoIndex<ncolour, S>::LatticeTwoIndexMatrix LatticeMatrix;
-  typedef typename GaugeGroupTwoIndex<ncolour, S, group_name>::LatticeTwoIndexField LatticeField;
+  typedef typename SU_TwoIndex<ncolour, S>::LatticeTwoIndexField LatticeField;
-  static const int Dimension = GaugeGroupTwoIndex<ncolour,S,group_name>::Dimension;
+  static const int Dimension = ncolour * (ncolour + S) / 2;
   static const bool isFundamental = false;
 
   LatticeField U;
@@ -43,10 +43,10 @@ public:
     U = Zero();
     LatticeColourMatrix tmp(Uin.Grid());
 
-    Vector<typename GaugeGroup<ncolour,group_name>::Matrix> eij(Dimension);
+    Vector<typename SU<ncolour>::Matrix> eij(Dimension);
 
     for (int a = 0; a < Dimension; a++)
-      GaugeGroupTwoIndex<ncolour, S, group_name>::base(a, eij[a]);
+      SU_TwoIndex<ncolour, S>::base(a, eij[a]);
 
     for (int mu = 0; mu < Nd; mu++) {
       auto Uin_mu = peekLorentz(Uin, mu);
@@ -71,7 +71,7 @@ public:
 
       out_mu = Zero();
 
-      typename GaugeGroup<ncolour, group_name>::LatticeAlgebraVector h(in.Grid());
+      typename SU<ncolour>::LatticeAlgebraVector h(in.Grid());
       projectOnAlgebra(h, in_mu, double(Nc + 2 * S));  // factor T(r)/T(fund)
       FundamentalLieAlgebraMatrix(h, out_mu);          // apply scale only once
       pokeLorentz(out, out_mu, mu);
@@ -80,23 +80,20 @@ public:
   }
 
 private:
-  void projectOnAlgebra(typename GaugeGroup<ncolour, group_name>::LatticeAlgebraVector &h_out,
+  void projectOnAlgebra(typename SU<ncolour>::LatticeAlgebraVector &h_out,
                         const LatticeMatrix &in, Real scale = 1.0) const {
-    GaugeGroupTwoIndex<ncolour, S,group_name>::projectOnAlgebra(h_out, in, scale);
+    SU_TwoIndex<ncolour, S>::projectOnAlgebra(h_out, in, scale);
   }
 
   void FundamentalLieAlgebraMatrix(
-				   typename GaugeGroup<ncolour, group_name>::LatticeAlgebraVector &h,
+				   typename SU<ncolour>::LatticeAlgebraVector &h,
-				   typename GaugeGroup<ncolour, group_name>::LatticeMatrix &out, Real scale = 1.0) const {
+				   typename SU<ncolour>::LatticeMatrix &out, Real scale = 1.0) const {
-    GaugeGroup<ncolour,group_name>::FundamentalLieAlgebraMatrix(h, out, scale);
+    SU<ncolour>::FundamentalLieAlgebraMatrix(h, out, scale);
   }
 };
 
-typedef TwoIndexRep<Nc, Symmetric, GroupName::SU> TwoIndexSymmetricRepresentation;
+typedef TwoIndexRep<Nc, Symmetric> TwoIndexSymmetricRepresentation;
-typedef TwoIndexRep<Nc, AntiSymmetric, GroupName::SU> TwoIndexAntiSymmetricRepresentation;
+typedef TwoIndexRep<Nc, AntiSymmetric> TwoIndexAntiSymmetricRepresentation;
-
-typedef TwoIndexRep<Nc, Symmetric, GroupName::Sp> SpTwoIndexSymmetricRepresentation;
-typedef TwoIndexRep<Nc, AntiSymmetric, GroupName::Sp> SpTwoIndexAntiSymmetricRepresentation;
 
 NAMESPACE_END(Grid);
 

Grid/qcd/smearing/GaugeConfiguration.h

@@ -7,27 +7,26 @@
 
 NAMESPACE_BEGIN(Grid);
 
-
 //trivial class for no smearing
 template< class Impl >
-class NoSmearing : public ConfigurationBase<typename Impl::Field>
+class NoSmearing
 {
 public:
   INHERIT_FIELD_TYPES(Impl);
 
-  Field* ThinLinks;
+  Field* ThinField;
 
-  NoSmearing(): ThinLinks(NULL) {}
+  NoSmearing(): ThinField(NULL) {}
 
-  virtual void set_Field(Field& U) { ThinLinks = &U; }
+  void set_Field(Field& U) { ThinField = &U; }
 
-  virtual void smeared_force(Field&) {}
+  void smeared_force(Field&) const {}
 
-  virtual Field& get_SmearedU() { return *ThinLinks; }
+  Field& get_SmearedU() { return *ThinField; }
 
-  virtual Field &get_U(bool smeared = false)
+  Field &get_U(bool smeared = false)
   {
-    return *ThinLinks;
+    return *ThinField;
   }
 };
 
@@ -43,24 +42,19 @@ public:
   It stores a list of smeared configurations.
 */
 template <class Gimpl>
-class SmearedConfiguration : public ConfigurationBase<typename Gimpl::Field>
+class SmearedConfiguration
 {
 public:
   INHERIT_GIMPL_TYPES(Gimpl);
 
-protected:
+private:
   const unsigned int smearingLevels;
   Smear_Stout<Gimpl> *StoutSmearing;
   std::vector<GaugeField> SmearedSet;
-public:
-  GaugeField*  ThinLinks; /* Pointer to the thin links configuration */ // move to base???
-protected:
 
   // Member functions
   //====================================================================
-
+  void fill_smearedSet(GaugeField &U)
-  // Overridden in masked version
-  virtual void fill_smearedSet(GaugeField &U)
   {
     ThinLinks = &U;  // attach the smearing routine to the field U
 
@@ -88,9 +82,8 @@ protected:
       }
     }
   }
-
+  //====================================================================
-  //overridden in masked verson
+  GaugeField AnalyticSmearedForce(const GaugeField& SigmaKPrime,
-  virtual GaugeField AnalyticSmearedForce(const GaugeField& SigmaKPrime,
                                   const GaugeField& GaugeK) const 
   {
     GridBase* grid = GaugeK.Grid();
@@ -220,6 +213,8 @@ protected:
 
   //====================================================================
 public:
+  GaugeField*
+      ThinLinks; /* Pointer to the thin links configuration */
 
   /* Standard constructor */
   SmearedConfiguration(GridCartesian* UGrid, unsigned int Nsmear,
@@ -235,7 +230,7 @@ public:
     : smearingLevels(0), StoutSmearing(nullptr), SmearedSet(), ThinLinks(NULL) {}
 
   // attach the smeared routines to the thin links U and fill the smeared set
-  virtual void set_Field(GaugeField &U)
+  void set_Field(GaugeField &U)
   {
     double start = usecond();
     fill_smearedSet(U);
@@ -245,7 +240,7 @@ public:
   }
 
   //====================================================================
-  virtual void smeared_force(GaugeField &SigmaTilde) 
+  void smeared_force(GaugeField &SigmaTilde) const
   {
     if (smearingLevels > 0)
     {
@@ -272,16 +267,14 @@ public:
       }
       double end = usecond();
       double time = (end - start)/ 1e3;
-      std::cout << GridLogMessage << " GaugeConfiguration: Smeared Force chain rule took " << time << " ms" << std::endl;
+      std::cout << GridLogMessage << "Smearing force in " << time << " ms" << std::endl;  
     }  // if smearingLevels = 0 do nothing
-    SigmaTilde=Gimpl::projectForce(SigmaTilde); // Ta
-      
   }
   //====================================================================
 
-  virtual GaugeField& get_SmearedU() { return SmearedSet[smearingLevels - 1]; }
+  GaugeField& get_SmearedU() { return SmearedSet[smearingLevels - 1]; }
 
-  virtual GaugeField &get_U(bool smeared = false)
+  GaugeField &get_U(bool smeared = false)
   {
     // get the config, thin links by default
     if (smeared)

Grid/qcd/smearing/GaugeConfigurationMasked.h

@@ -1,813 +0,0 @@
-/*!
-  @file GaugeConfiguration.h
-  @brief Declares the GaugeConfiguration class
-*/
-#pragma once
-
-NAMESPACE_BEGIN(Grid);
-
-/*!
-  @brief Smeared configuration masked container
-  Modified for a multi-subset smearing (aka Luscher Flowed HMC)
-*/
-template <class Gimpl>
-class SmearedConfigurationMasked : public SmearedConfiguration<Gimpl>
-{
-public:
-  INHERIT_GIMPL_TYPES(Gimpl);
-
-private:
-  // These live in base class
-  //  const unsigned int smearingLevels;
-  //  Smear_Stout<Gimpl> *StoutSmearing;
-  //  std::vector<GaugeField> SmearedSet;
-  
-  std::vector<LatticeLorentzComplex> masks;
-
-  typedef typename SU3Adjoint::AMatrix AdjMatrix;
-  typedef typename SU3Adjoint::LatticeAdjMatrix  AdjMatrixField;
-  typedef typename SU3Adjoint::LatticeAdjVector  AdjVectorField;
-
-  // Adjoint vector to GaugeField force
-  void InsertForce(GaugeField &Fdet,AdjVectorField &Fdet_nu,int nu)
-  {
-    Complex ci(0,1);
-    GaugeLinkField Fdet_pol(Fdet.Grid());
-    Fdet_pol=Zero();
-    for(int e=0;e<8;e++){
-      ColourMatrix te;
-      SU3::generator(e, te);
-      auto tmp=peekColour(Fdet_nu,e);
-      Fdet_pol=Fdet_pol + ci*tmp*te; // but norm of te is different.. why?
-    }
-    pokeLorentz(Fdet, Fdet_pol, nu);
-  }
-  void Compute_MpInvJx_dNxxdSy(const GaugeLinkField &PlaqL,const GaugeLinkField &PlaqR, AdjMatrixField MpInvJx,AdjVectorField &Fdet2 )
-  {
-    GaugeLinkField UtaU(PlaqL.Grid());
-    GaugeLinkField D(PlaqL.Grid());
-    AdjMatrixField Dbc(PlaqL.Grid());
-    LatticeComplex tmp(PlaqL.Grid());
-    const int Ngen = SU3Adjoint::Dimension;
-    Complex ci(0,1);
-    ColourMatrix   ta,tb,tc;
-    
-    for(int a=0;a<Ngen;a++) {
-      SU3::generator(a, ta);
-      // Qlat Tb = 2i Tb^Grid
-      UtaU= 2.0*ci*adj(PlaqL)*ta*PlaqR;
-      for(int c=0;c<Ngen;c++) {
-	SU3::generator(c, tc);
-	D = Ta( (2.0)*ci*tc *UtaU);
-	for(int b=0;b<Ngen;b++){
-	  SU3::generator(b, tb);
-	  tmp =-trace(ci*tb*D); 
-	  PokeIndex<ColourIndex>(Dbc,tmp,b,c);  // Adjoint rep
-	}
-      }
-      tmp = trace(MpInvJx * Dbc);
-      PokeIndex<ColourIndex>(Fdet2,tmp,a);
-    }
-  }
-  
-  void ComputeNxy(const GaugeLinkField &PlaqL,const GaugeLinkField &PlaqR,AdjMatrixField &NxAd)
-  {
-    GaugeLinkField Nx(PlaqL.Grid());
-    const int Ngen = SU3Adjoint::Dimension;
-    Complex ci(0,1);
-    ColourMatrix   tb;
-    ColourMatrix   tc;
-    for(int b=0;b<Ngen;b++) {
-      SU3::generator(b, tb);
-      Nx = (2.0)*Ta( adj(PlaqL)*ci*tb * PlaqR );
-      for(int c=0;c<Ngen;c++) {
-	SU3::generator(c, tc);
-	auto tmp =closure( -trace(ci*tc*Nx)); 
-	PokeIndex<ColourIndex>(NxAd,tmp,c,b); 
-      }
-    }
-  }
-  void ApplyMask(GaugeField &U,int smr)
-  {
-    LatticeComplex tmp(U.Grid());
-    GaugeLinkField Umu(U.Grid());
-    for(int mu=0;mu<Nd;mu++){
-      Umu=PeekIndex<LorentzIndex>(U,mu);
-      tmp=PeekIndex<LorentzIndex>(masks[smr],mu);
-      Umu=Umu*tmp;
-      PokeIndex<LorentzIndex>(U, Umu, mu);
-    }
-  }
-public:
-
-  void logDetJacobianForceLevel(const GaugeField &U, GaugeField &force ,int smr)
-  {
-    GridBase* grid = U.Grid();
-    ColourMatrix   tb;
-    ColourMatrix   tc;
-    ColourMatrix   ta;
-    GaugeField C(grid);
-    GaugeField Umsk(grid);
-    std::vector<GaugeLinkField> Umu(Nd,grid);
-    GaugeLinkField Cmu(grid); // U and staple; C contains factor of epsilon
-    GaugeLinkField Zx(grid);  // U times Staple, contains factor of epsilon
-    GaugeLinkField Nxx(grid);  // Nxx fundamental space
-    GaugeLinkField Utmp(grid);
-    GaugeLinkField PlaqL(grid);
-    GaugeLinkField PlaqR(grid);
-    const int Ngen = SU3Adjoint::Dimension;
-    AdjMatrix TRb;
-    ColourMatrix Ident;
-    LatticeComplex  cplx(grid);
-    
-    AdjVectorField  dJdXe_nMpInv(grid); 
-    AdjVectorField  dJdXe_nMpInv_y(grid); 
-    AdjMatrixField  MpAd(grid);    // Mprime luchang's notes
-    AdjMatrixField  MpAdInv(grid); // Mprime inverse
-    AdjMatrixField  NxxAd(grid);    // Nxx in adjoint space
-    AdjMatrixField  JxAd(grid);     
-    AdjMatrixField  ZxAd(grid);
-    AdjMatrixField  mZxAd(grid);
-    AdjMatrixField  X(grid);
-    Complex ci(0,1);
-
-    RealD t0 = usecond();
-    Ident = ComplexD(1.0);
-    for(int d=0;d<Nd;d++){
-      Umu[d] = peekLorentz(U, d);
-    }
-    int mu= (smr/2) %Nd;
-
-    ////////////////////////////////////////////////////////////////////////////////
-    // Mask the gauge field
-    ////////////////////////////////////////////////////////////////////////////////
-    auto mask=PeekIndex<LorentzIndex>(masks[smr],mu); // the cb mask
-
-    Umsk = U;
-    ApplyMask(Umsk,smr);
-    Utmp = peekLorentz(Umsk,mu);
-
-    ////////////////////////////////////////////////////////////////////////////////
-    // Retrieve the eps/rho parameter(s) -- could allow all different but not so far
-    ////////////////////////////////////////////////////////////////////////////////
-    double rho=this->StoutSmearing->SmearRho[1];
-    int idx=0;
-    for(int mu=0;mu<4;mu++){
-    for(int nu=0;nu<4;nu++){
-      if ( mu!=nu) assert(this->StoutSmearing->SmearRho[idx]==rho);
-      else         assert(this->StoutSmearing->SmearRho[idx]==0.0);
-      idx++;
-    }}
-    //////////////////////////////////////////////////////////////////
-    // Assemble the N matrix
-    //////////////////////////////////////////////////////////////////
-    // Computes ALL the staples -- could compute one only and do it here
-    RealD time;
-    time=-usecond();
-    this->StoutSmearing->BaseSmear(C, U);
-    Cmu = peekLorentz(C, mu);
-
-    //////////////////////////////////////////////////////////////////
-    // Assemble Luscher exp diff map J matrix 
-    //////////////////////////////////////////////////////////////////
-    // Ta so Z lives in Lie algabra
-    Zx  = Ta(Cmu * adj(Umu[mu]));
-    time+=usecond();
-    std::cout << GridLogMessage << "Z took "<<time<< " us"<<std::endl;
-
-    time=-usecond();
-    // Move Z to the Adjoint Rep == make_adjoint_representation
-    ZxAd = Zero();
-    for(int b=0;b<8;b++) {
-      // Adj group sets traceless antihermitian T's -- Guido, really????
-      SU3::generator(b, tb);         // Fund group sets traceless hermitian T's
-      SU3Adjoint::generator(b,TRb);
-      TRb=-TRb;
-      cplx = 2.0*trace(ci*tb*Zx); // my convention 1/2 delta ba
-      ZxAd = ZxAd + cplx * TRb; // is this right? YES - Guido used Anti herm Ta's and with bloody wrong sign.
-    }
-    time+=usecond();
-    std::cout << GridLogMessage << "ZxAd took "<<time<< " us"<<std::endl;
-
-    //////////////////////////////////////
-    // J(x) = 1 + Sum_k=1..N (-Zac)^k/(k+1)!
-    //////////////////////////////////////
-    time=-usecond();
-    X=1.0; 
-    JxAd = X;
-    mZxAd = (-1.0)*ZxAd; 
-    RealD kpfac = 1;
-    for(int k=1;k<12;k++){
-      X=X*mZxAd;
-      kpfac = kpfac /(k+1);
-      JxAd = JxAd + X * kpfac;
-    }
-    time+=usecond();
-    std::cout << GridLogMessage << "Jx took "<<time<< " us"<<std::endl;
-
-    //////////////////////////////////////
-    // dJ(x)/dxe
-    //////////////////////////////////////
-    time=-usecond();
-    std::vector<AdjMatrixField>  dJdX;    dJdX.resize(8,grid);
-    AdjMatrixField tbXn(grid);
-    AdjMatrixField sumXtbX(grid);
-    AdjMatrixField t2(grid);
-    AdjMatrixField dt2(grid);
-    AdjMatrixField t3(grid);
-    AdjMatrixField dt3(grid);
-    AdjMatrixField aunit(grid);
-    for(int b=0;b<8;b++){
-      aunit = ComplexD(1.0);
-      SU3Adjoint::generator(b, TRb); //dt2
-
-      X  = (-1.0)*ZxAd; 
-      t2 = X;
-      dt2 = TRb;
-      for (int j = 20; j > 1; --j) {
-	t3 = t2*(1.0 / (j + 1))  + aunit;
-	dt3 = dt2*(1.0 / (j + 1));
-	t2 = X * t3;
-	dt2 = TRb * t3 + X * dt3;
-      }
-      dJdX[b] = -dt2; 
-    }
-    time+=usecond();
-    std::cout << GridLogMessage << "dJx took "<<time<< " us"<<std::endl;
-    /////////////////////////////////////////////////////////////////
-    // Mask Umu for this link
-    /////////////////////////////////////////////////////////////////
-    time=-usecond();
-    PlaqL = Ident;
-    PlaqR = Utmp*adj(Cmu);
-    ComputeNxy(PlaqL,PlaqR,NxxAd);
-    time+=usecond();
-    std::cout << GridLogMessage << "ComputeNxy took "<<time<< " us"<<std::endl;
-    
-    ////////////////////////////
-    // Mab
-    ////////////////////////////
-    MpAd = Complex(1.0,0.0);
-    MpAd = MpAd - JxAd * NxxAd;
-
-    /////////////////////////
-    // invert the 8x8
-    /////////////////////////
-    time=-usecond();
-    MpAdInv = Inverse(MpAd);
-    time+=usecond();
-    std::cout << GridLogMessage << "MpAdInv took "<<time<< " us"<<std::endl;
-    
-    RealD t3a = usecond();
-    /////////////////////////////////////////////////////////////////
-    // Nxx Mp^-1
-    /////////////////////////////////////////////////////////////////
-    AdjVectorField  FdetV(grid);
-    AdjVectorField  Fdet1_nu(grid);
-    AdjVectorField  Fdet2_nu(grid);
-    AdjVectorField  Fdet2_mu(grid);
-    AdjVectorField  Fdet1_mu(grid);
-
-    AdjMatrixField nMpInv(grid);
-    nMpInv= NxxAd *MpAdInv;
-
-    AdjMatrixField MpInvJx(grid);
-    AdjMatrixField MpInvJx_nu(grid);
-    MpInvJx = (-1.0)*MpAdInv * JxAd;// rho is on the plaq factor
-
-    Compute_MpInvJx_dNxxdSy(PlaqL,PlaqR,MpInvJx,FdetV);
-    Fdet2_mu=FdetV;
-    Fdet1_mu=Zero();
-    
-    for(int e =0 ; e<8 ; e++){
-      LatticeComplexD tr(grid);
-      ColourMatrix te;
-      SU3::generator(e, te);
-      tr = trace(dJdX[e] * nMpInv);
-      pokeColour(dJdXe_nMpInv,tr,e);
-    }
-    ///////////////////////////////
-    // Mask it off
-    ///////////////////////////////
-    auto tmp=PeekIndex<LorentzIndex>(masks[smr],mu);
-    dJdXe_nMpInv = dJdXe_nMpInv*tmp;
-    
-    //    dJdXe_nMpInv needs to multiply:
-    //       Nxx_mu (site local)                           (1)
-    //       Nxy_mu one site forward  in each nu direction (3)
-    //       Nxy_mu one site backward in each nu direction (3)
-    //       Nxy_nu 0,0  ; +mu,0; 0,-nu; +mu-nu   [ 3x4 = 12]
-    // 19 terms.
-    AdjMatrixField Nxy(grid);
-
-    GaugeField Fdet1(grid);
-    GaugeField Fdet2(grid);
-    GaugeLinkField Fdet_pol(grid); // one polarisation
-
-    RealD t4 = usecond();
-    for(int nu=0;nu<Nd;nu++){
-
-      if (nu!=mu) {
-	///////////////// +ve nu /////////////////
-	//     __
-	//    |  |
-	//    x==    // nu polarisation -- clockwise
-
-	time=-usecond();
-	PlaqL=Ident;
-
-	PlaqR=(-rho)*Gimpl::CovShiftForward(Umu[nu], nu,
- 	       Gimpl::CovShiftForward(Umu[mu], mu,
-	         Gimpl::CovShiftBackward(Umu[nu], nu,
-		   Gimpl::CovShiftIdentityBackward(Utmp, mu))));
-	time+=usecond();
-	std::cout << GridLogMessage << "PlaqLR took "<<time<< " us"<<std::endl;
-
-	time=-usecond();
-	dJdXe_nMpInv_y =   dJdXe_nMpInv;
-	ComputeNxy(PlaqL,PlaqR,Nxy);
-	Fdet1_nu = transpose(Nxy)*dJdXe_nMpInv_y;
-	time+=usecond();
-	std::cout << GridLogMessage << "ComputeNxy (occurs 6x) took "<<time<< " us"<<std::endl;
-
-	time=-usecond();
-	PlaqR=(-1.0)*PlaqR;
-	Compute_MpInvJx_dNxxdSy(PlaqL,PlaqR,MpInvJx,FdetV);
-	Fdet2_nu = FdetV;
-	time+=usecond();
-	std::cout << GridLogMessage << "Compute_MpInvJx_dNxxSy (occurs 6x) took "<<time<< " us"<<std::endl;
-	
-	//    x==
-	//    |  |
-	//    .__|    // nu polarisation -- anticlockwise
-
-	PlaqR=(rho)*Gimpl::CovShiftForward(Umu[nu], nu,
-		      Gimpl::CovShiftBackward(Umu[mu], mu,
-    	 	        Gimpl::CovShiftIdentityBackward(Umu[nu], nu)));
-
-	PlaqL=Gimpl::CovShiftIdentityBackward(Utmp, mu);
-
-	dJdXe_nMpInv_y = Cshift(dJdXe_nMpInv,mu,-1);
-	ComputeNxy(PlaqL, PlaqR,Nxy);
-	Fdet1_nu = Fdet1_nu+transpose(Nxy)*dJdXe_nMpInv_y;
-	
-
-	MpInvJx_nu = Cshift(MpInvJx,mu,-1);
-	Compute_MpInvJx_dNxxdSy(PlaqL,PlaqR,MpInvJx_nu,FdetV);
-	Fdet2_nu = Fdet2_nu+FdetV;
-	
-	///////////////// -ve nu /////////////////
-	//  __
-	// |  |
-	// x==          // nu polarisation -- clockwise
-
-	PlaqL=(rho)* Gimpl::CovShiftForward(Umu[mu], mu,
-		       Gimpl::CovShiftForward(Umu[nu], nu,
-			 Gimpl::CovShiftIdentityBackward(Utmp, mu)));
-
-        PlaqR = Gimpl::CovShiftIdentityForward(Umu[nu], nu);
-
-	dJdXe_nMpInv_y = Cshift(dJdXe_nMpInv,nu,1);
-	ComputeNxy(PlaqL,PlaqR,Nxy);
-	Fdet1_nu = Fdet1_nu + transpose(Nxy)*dJdXe_nMpInv_y;
-
-	MpInvJx_nu = Cshift(MpInvJx,nu,1);
-	Compute_MpInvJx_dNxxdSy(PlaqL,PlaqR,MpInvJx_nu,FdetV);
-	Fdet2_nu = Fdet2_nu+FdetV;
-	
-	// x==
-	// |  |
-	// |__|         // nu polarisation
-
-	PlaqL=(-rho)*Gimpl::CovShiftForward(Umu[nu], nu,
- 	        Gimpl::CovShiftIdentityBackward(Utmp, mu));
-
-	PlaqR=Gimpl::CovShiftBackward(Umu[mu], mu,
-	        Gimpl::CovShiftIdentityForward(Umu[nu], nu));
-
-	dJdXe_nMpInv_y = Cshift(dJdXe_nMpInv,mu,-1);
-	dJdXe_nMpInv_y = Cshift(dJdXe_nMpInv_y,nu,1);
-
-	ComputeNxy(PlaqL,PlaqR,Nxy);
-	Fdet1_nu = Fdet1_nu + transpose(Nxy)*dJdXe_nMpInv_y;
-
-	MpInvJx_nu = Cshift(MpInvJx,mu,-1);
-	MpInvJx_nu = Cshift(MpInvJx_nu,nu,1);
-	Compute_MpInvJx_dNxxdSy(PlaqL,PlaqR,MpInvJx_nu,FdetV);
-	Fdet2_nu = Fdet2_nu+FdetV;
-
-	/////////////////////////////////////////////////////////////////////
-	// Set up the determinant force contribution in 3x3 algebra basis
-	/////////////////////////////////////////////////////////////////////
-	InsertForce(Fdet1,Fdet1_nu,nu);
-	InsertForce(Fdet2,Fdet2_nu,nu);
-	
-	//////////////////////////////////////////////////
-	// Parallel direction terms
-	//////////////////////////////////////////////////
-
-        //     __
-	//    |  "
-	//    |__"x    // mu polarisation
-	PlaqL=(-rho)*Gimpl::CovShiftForward(Umu[mu], mu,
-		      Gimpl::CovShiftBackward(Umu[nu], nu,
-   		        Gimpl::CovShiftIdentityBackward(Utmp, mu)));
-
-	PlaqR=Gimpl::CovShiftIdentityBackward(Umu[nu], nu);
-	
-	dJdXe_nMpInv_y = Cshift(dJdXe_nMpInv,nu,-1);
-
-	ComputeNxy(PlaqL,PlaqR,Nxy);
-	Fdet1_mu = Fdet1_mu + transpose(Nxy)*dJdXe_nMpInv_y;
-
-	MpInvJx_nu = Cshift(MpInvJx,nu,-1);
-
-	Compute_MpInvJx_dNxxdSy(PlaqL,PlaqR,MpInvJx_nu,FdetV);
-	Fdet2_mu = Fdet2_mu+FdetV;
-
-	//  __
-	// "  |
-	// x__|          // mu polarisation
-
-	PlaqL=(-rho)*Gimpl::CovShiftForward(Umu[mu], mu,
-		       Gimpl::CovShiftForward(Umu[nu], nu,
-		 	 Gimpl::CovShiftIdentityBackward(Utmp, mu)));
-
-        PlaqR=Gimpl::CovShiftIdentityForward(Umu[nu], nu);
-
-	dJdXe_nMpInv_y = Cshift(dJdXe_nMpInv,nu,1);
-
-	ComputeNxy(PlaqL,PlaqR,Nxy);
-	Fdet1_mu = Fdet1_mu + transpose(Nxy)*dJdXe_nMpInv_y;
-
-	MpInvJx_nu = Cshift(MpInvJx,nu,1);
-
-	Compute_MpInvJx_dNxxdSy(PlaqL,PlaqR,MpInvJx_nu,FdetV);
-	Fdet2_mu = Fdet2_mu+FdetV;
-	
-      }
-    }
-    RealD t5 = usecond();
-
-    Fdet1_mu = Fdet1_mu + transpose(NxxAd)*dJdXe_nMpInv;
-
-    InsertForce(Fdet1,Fdet1_mu,mu);
-    InsertForce(Fdet2,Fdet2_mu,mu);
-
-    force= (-0.5)*( Fdet1 + Fdet2);
-    RealD t1 = usecond();
-    std::cout << GridLogMessage << " logDetJacobianForce level took "<<t1-t0<<" us "<<std::endl;
-    std::cout << GridLogMessage << " logDetJacobianForce t3-t0 "<<t3a-t0<<" us "<<std::endl;
-    std::cout << GridLogMessage << " logDetJacobianForce t4-t3 dJdXe_nMpInv "<<t4-t3a<<" us "<<std::endl;
-    std::cout << GridLogMessage << " logDetJacobianForce t5-t4 mu nu loop "<<t5-t4<<" us "<<std::endl;
-    std::cout << GridLogMessage << " logDetJacobianForce t1-t5 "<<t1-t5<<" us "<<std::endl;
-    std::cout << GridLogMessage << " logDetJacobianForce level took "<<t1-t0<<" us "<<std::endl;
-  }
-  RealD logDetJacobianLevel(const GaugeField &U,int smr)
-  {
-    GridBase* grid = U.Grid();
-    GaugeField C(grid);
-    GaugeLinkField Nb(grid);
-    GaugeLinkField Z(grid);
-    GaugeLinkField Umu(grid), Cmu(grid);
-    ColourMatrix   Tb;
-    ColourMatrix   Tc;
-    typedef typename SU3Adjoint::AMatrix AdjMatrix;
-    typedef typename SU3Adjoint::LatticeAdjMatrix  AdjMatrixField;
-    typedef typename SU3Adjoint::LatticeAdjVector  AdjVectorField;
-    const int Ngen = SU3Adjoint::Dimension;
-    AdjMatrix TRb;
-    LatticeComplex       cplx(grid); 
-    AdjVectorField  AlgV(grid); 
-    AdjMatrixField  Mab(grid);
-    AdjMatrixField  Ncb(grid);
-    AdjMatrixField  Jac(grid);
-    AdjMatrixField  Zac(grid);
-    AdjMatrixField  mZac(grid);
-    AdjMatrixField  X(grid);
-
-    int mu= (smr/2) %Nd;
-
-    auto mask=PeekIndex<LorentzIndex>(masks[smr],mu); // the cb mask
-
-    //////////////////////////////////////////////////////////////////
-    // Assemble the N matrix
-    //////////////////////////////////////////////////////////////////
-    // Computes ALL the staples -- could compute one only here
-    this->StoutSmearing->BaseSmear(C, U);
-    Cmu = peekLorentz(C, mu);
-    Umu = peekLorentz(U, mu);
-    Complex ci(0,1);
-    for(int b=0;b<Ngen;b++) {
-      SU3::generator(b, Tb);
-      // Qlat Tb = 2i Tb^Grid
-      Nb = (2.0)*Ta( ci*Tb * Umu * adj(Cmu));
-      for(int c=0;c<Ngen;c++) {
-	SU3::generator(c, Tc);
-	auto tmp = -trace(ci*Tc*Nb); // Luchang's norm: (2Tc) (2Td) N^db = -2 delta cd N^db // - was important
-	PokeIndex<ColourIndex>(Ncb,tmp,c,b); 
-      }
-    }      
-
-    //////////////////////////////////////////////////////////////////
-    // Assemble Luscher exp diff map J matrix 
-    //////////////////////////////////////////////////////////////////
-    // Ta so Z lives in Lie algabra
-    Z  = Ta(Cmu * adj(Umu));
-
-    // Move Z to the Adjoint Rep == make_adjoint_representation
-    Zac = Zero();
-    for(int b=0;b<8;b++) {
-      // Adj group sets traceless antihermitian T's -- Guido, really????
-      // Is the mapping of these the same? Same structure constants
-      // Might never have been checked.
-      SU3::generator(b, Tb);         // Fund group sets traceless hermitian T's
-      SU3Adjoint::generator(b,TRb);
-      TRb=-TRb;
-      cplx = 2.0*trace(ci*Tb*Z); // my convention 1/2 delta ba
-      Zac = Zac + cplx * TRb; // is this right? YES - Guido used Anti herm Ta's and with bloody wrong sign.
-    }
-
-    //////////////////////////////////////
-    // J(x) = 1 + Sum_k=1..N (-Zac)^k/(k+1)!
-    //////////////////////////////////////
-    X=1.0; 
-    Jac = X;
-    mZac = (-1.0)*Zac; 
-    RealD kpfac = 1;
-    for(int k=1;k<12;k++){
-      X=X*mZac;
-      kpfac = kpfac /(k+1);
-      Jac = Jac + X * kpfac;
-    }
-
-    ////////////////////////////
-    // Mab
-    ////////////////////////////
-    Mab = Complex(1.0,0.0);
-    Mab = Mab - Jac * Ncb;
-
-    ////////////////////////////
-    // det
-    ////////////////////////////
-    LatticeComplex       det(grid); 
-    det = Determinant(Mab);
-
-    ////////////////////////////
-    // ln det
-    ////////////////////////////
-    LatticeComplex       ln_det(grid); 
-    ln_det = log(det);
-
-    ////////////////////////////
-    // Masked sum
-    ////////////////////////////
-    ln_det = ln_det * mask;
-    Complex result = sum(ln_det);
-    return result.real();
-  }
-public:
-  RealD logDetJacobian(void)
-  {
-    RealD ln_det = 0;
-    if (this->smearingLevels > 0)
-    {
-      double start = usecond();
-      for (int ismr = this->smearingLevels - 1; ismr > 0; --ismr) {
-	ln_det+= logDetJacobianLevel(this->get_smeared_conf(ismr-1),ismr);
-      }
-      ln_det +=logDetJacobianLevel(*(this->ThinLinks),0);
-
-      double end = usecond();
-      double time = (end - start)/ 1e3;
-      std::cout << GridLogMessage << "GaugeConfigurationMasked: logDetJacobian took " << time << " ms" << std::endl;  
-    }
-    return ln_det;
-  }
-  void logDetJacobianForce(GaugeField &force)
-  {
-    force =Zero();
-    GaugeField force_det(force.Grid());
-
-    if (this->smearingLevels > 0)
-    {
-      double start = usecond();
-
-      GaugeLinkField tmp_mu(force.Grid());
-
-      for (int ismr = this->smearingLevels - 1; ismr > 0; --ismr) {
-
-	// remove U in UdSdU...
-	for (int mu = 0; mu < Nd; mu++) {
-	  tmp_mu = adj(peekLorentz(this->get_smeared_conf(ismr), mu)) * peekLorentz(force, mu);
-	  pokeLorentz(force, tmp_mu, mu);
-	}
-	
-      	// Propagate existing force
-        force = this->AnalyticSmearedForce(force, this->get_smeared_conf(ismr - 1), ismr);
-
-	// Add back U in UdSdU...
-	for (int mu = 0; mu < Nd; mu++) {
-	  tmp_mu = peekLorentz(this->get_smeared_conf(ismr - 1), mu) * peekLorentz(force, mu);
-	  pokeLorentz(force, tmp_mu, mu);
-	}
-    	
-	// Get this levels determinant force
-	force_det = Zero();
-	logDetJacobianForceLevel(this->get_smeared_conf(ismr-1),force_det,ismr);
-
-	// Sum the contributions
-	force = force + force_det;
-      }
-    
-      // remove U in UdSdU...
-      for (int mu = 0; mu < Nd; mu++) {
-	tmp_mu = adj(peekLorentz(this->get_smeared_conf(0), mu)) * peekLorentz(force, mu);
-	pokeLorentz(force, tmp_mu, mu);
-      }
-
-      force = this->AnalyticSmearedForce(force, *this->ThinLinks,0);
-
-      for (int mu = 0; mu < Nd; mu++) {
-	tmp_mu = peekLorentz(*this->ThinLinks, mu) * peekLorentz(force, mu);
-	pokeLorentz(force, tmp_mu, mu);
-      }
-
-      force_det = Zero();
-
-      logDetJacobianForceLevel(*this->ThinLinks,force_det,0);
-
-      force = force + force_det;
-
-      force=Ta(force); // Ta
-      
-      double end = usecond();
-      double time = (end - start)/ 1e3;
-      std::cout << GridLogMessage << "GaugeConfigurationMasked: lnDetJacobianForce took " << time << " ms" << std::endl;  
-    }  // if smearingLevels = 0 do nothing
-  }
-
-private:
-  //====================================================================
-  // Override base clas here to mask it
-  virtual void fill_smearedSet(GaugeField &U)
-  {
-    this->ThinLinks = &U;  // attach the smearing routine to the field U
-
-    // check the pointer is not null
-    if (this->ThinLinks == NULL)
-      std::cout << GridLogError << "[SmearedConfigurationMasked] Error in ThinLinks pointer\n";
-
-    if (this->smearingLevels > 0)
-    {
-      std::cout << GridLogMessage << "[SmearedConfigurationMasked] Filling SmearedSet\n";
-      GaugeField previous_u(this->ThinLinks->Grid());
-
-      GaugeField smeared_A(this->ThinLinks->Grid());
-      GaugeField smeared_B(this->ThinLinks->Grid());
-
-      previous_u = *this->ThinLinks;
-      double start = usecond();
-      for (int smearLvl = 0; smearLvl < this->smearingLevels; ++smearLvl)
-      {
-        this->StoutSmearing->smear(smeared_A, previous_u);
-	ApplyMask(smeared_A,smearLvl);
-	smeared_B = previous_u;
-	ApplyMask(smeared_B,smearLvl);
-	// Replace only the masked portion
-	this->SmearedSet[smearLvl] = previous_u-smeared_B + smeared_A;
-        previous_u = this->SmearedSet[smearLvl];
-
-        // For debug purposes
-        RealD impl_plaq = WilsonLoops<Gimpl>::avgPlaquette(previous_u);
-        std::cout << GridLogMessage << "[SmearedConfigurationMasked] smeared Plaq: " << impl_plaq << std::endl;
-      }
-      double end = usecond();
-      double time = (end - start)/ 1e3;
-      std::cout << GridLogMessage << "GaugeConfigurationMasked: Link smearing took " << time << " ms" << std::endl;  
-    }
-  }
-  //====================================================================
-  // Override base to add masking
-  virtual GaugeField AnalyticSmearedForce(const GaugeField& SigmaKPrime,
-					  const GaugeField& GaugeK,int level) 
-  {
-    GridBase* grid = GaugeK.Grid();
-    GaugeField C(grid), SigmaK(grid), iLambda(grid);
-    GaugeField SigmaKPrimeA(grid);
-    GaugeField SigmaKPrimeB(grid);
-    GaugeLinkField iLambda_mu(grid);
-    GaugeLinkField iQ(grid), e_iQ(grid);
-    GaugeLinkField SigmaKPrime_mu(grid);
-    GaugeLinkField GaugeKmu(grid), Cmu(grid);
-    
-    this->StoutSmearing->BaseSmear(C, GaugeK);
-    SigmaK = Zero();
-    iLambda = Zero();
-
-    SigmaKPrimeA = SigmaKPrime;
-    ApplyMask(SigmaKPrimeA,level);
-    SigmaKPrimeB = SigmaKPrime - SigmaKPrimeA;
-    
-    // Could get away with computing only one polarisation here
-    // int mu= (smr/2) %Nd;
-    // SigmaKprime_A has only one component
-    for (int mu = 0; mu < Nd; mu++)
-    {
-      Cmu = peekLorentz(C, mu);
-      GaugeKmu = peekLorentz(GaugeK, mu);
-      SigmaKPrime_mu = peekLorentz(SigmaKPrimeA, mu);
-      iQ = Ta(Cmu * adj(GaugeKmu));
-      this->set_iLambda(iLambda_mu, e_iQ, iQ, SigmaKPrime_mu, GaugeKmu);
-      pokeLorentz(SigmaK, SigmaKPrime_mu * e_iQ + adj(Cmu) * iLambda_mu, mu);
-      pokeLorentz(iLambda, iLambda_mu, mu);
-    }
-    this->StoutSmearing->derivative(SigmaK, iLambda,GaugeK);  // derivative of SmearBase
-
-    ////////////////////////////////////////////////////////////////////////////////////
-    // propagate the rest of the force as identity map, just add back
-    ////////////////////////////////////////////////////////////////////////////////////
-    SigmaK = SigmaK+SigmaKPrimeB;
-
-    return SigmaK;
-  }
-
-public:
-
-  /* Standard constructor */
-  SmearedConfigurationMasked(GridCartesian* _UGrid, unsigned int Nsmear, Smear_Stout<Gimpl>& Stout)
-    : SmearedConfiguration<Gimpl>(_UGrid, Nsmear,Stout)
-  {
-    assert(Nsmear%(2*Nd)==0); // Or multiply by 8??
-
-    // was resized in base class
-    assert(this->SmearedSet.size()==Nsmear);
-    
-    GridRedBlackCartesian * UrbGrid;
-    UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(_UGrid);
-    LatticeComplex one(_UGrid); one = ComplexD(1.0,0.0);
-    LatticeComplex tmp(_UGrid);
-
-    for (unsigned int i = 0; i < this->smearingLevels; ++i) {
-
-      masks.push_back(*(new LatticeLorentzComplex(_UGrid)));
-
-      int mu= (i/2) %Nd;
-      int cb= (i%2);
-      LatticeComplex tmpcb(UrbGrid);
-	
-      masks[i]=Zero();
-      ////////////////////
-      // Setup the mask
-      ////////////////////
-      tmp = Zero();
-      pickCheckerboard(cb,tmpcb,one);
-      setCheckerboard(tmp,tmpcb);
-      PokeIndex<LorentzIndex>(masks[i],tmp, mu);
-	
-    }
-    delete UrbGrid;
-  }
-  
-  virtual void smeared_force(GaugeField &SigmaTilde) 
-  {
-    if (this->smearingLevels > 0)
-    {
-      double start = usecond();
-      GaugeField force = SigmaTilde; // actually = U*SigmaTilde
-      GaugeLinkField tmp_mu(SigmaTilde.Grid());
-
-      // Remove U from UdSdU
-      for (int mu = 0; mu < Nd; mu++)
-      {
-        // to get just SigmaTilde
-        tmp_mu = adj(peekLorentz(this->SmearedSet[this->smearingLevels - 1], mu)) * peekLorentz(force, mu);
-        pokeLorentz(force, tmp_mu, mu);
-      }
-
-      for (int ismr = this->smearingLevels - 1; ismr > 0; --ismr) {
-        force = this->AnalyticSmearedForce(force, this->get_smeared_conf(ismr - 1),ismr);
-      }
-      
-      force = this->AnalyticSmearedForce(force, *this->ThinLinks,0);
-
-      // Add U to UdSdU
-      for (int mu = 0; mu < Nd; mu++)
-      {
-        tmp_mu = peekLorentz(*this->ThinLinks, mu) * peekLorentz(force, mu);
-        pokeLorentz(SigmaTilde, tmp_mu, mu);
-      }
-
-
-      double end = usecond();
-      double time = (end - start)/ 1e3;
-      std::cout << GridLogMessage << " GaugeConfigurationMasked: Smeared Force chain rule took " << time << " ms" << std::endl;
-
-    }  // if smearingLevels = 0 do nothing
-    SigmaTilde=Gimpl::projectForce(SigmaTilde); // Ta
-  }
-
-};
-
-NAMESPACE_END(Grid);
-

Grid/qcd/smearing/JacobianAction.h

@@ -1,87 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/gauge/JacobianAction.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);
-
-////////////////////////////////////////////////////////////////////////
-// Jacobian Action .. 
-////////////////////////////////////////////////////////////////////////
-template <class Gimpl>
-class JacobianAction : public Action<typename Gimpl::GaugeField> {
-public:  
-  INHERIT_GIMPL_TYPES(Gimpl);
-
-  SmearedConfigurationMasked<Gimpl> * smearer;
-  /////////////////////////// constructors
-  explicit JacobianAction(SmearedConfigurationMasked<Gimpl> * _smearer ) { smearer=_smearer;};
-
-  virtual std::string action_name() {return "JacobianAction";}
-
-  virtual std::string LogParameters(){
-    std::stringstream sstream;
-    sstream << GridLogMessage << "[JacobianAction] " << std::endl;
-    return sstream.str();
-  }
-
-  //////////////////////////////////
-  // Usual cases are not used
-  //////////////////////////////////
-  virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG &pRNG){ assert(0);};
-  virtual RealD S(const GaugeField &U) { assert(0); }
-  virtual void deriv(const GaugeField &U, GaugeField &dSdU) { assert(0);  }
-
-  //////////////////////////////////
-  // Functions of smart configs only
-  //////////////////////////////////
-  virtual void refresh(ConfigurationBase<GaugeField> & U, GridSerialRNG &sRNG, GridParallelRNG& pRNG)
-  {
-    return;
-  }
-  virtual RealD S(ConfigurationBase<GaugeField>& U)
-  {
-    // det M = e^{ - ( - logDetM) }
-    assert( &U == smearer );
-    return -smearer->logDetJacobian();
-  }
-  virtual RealD Sinitial(ConfigurationBase<GaugeField>& U) 
-  {
-    return S(U);
-  }
-  virtual void deriv(ConfigurationBase<GaugeField>& U, GaugeField& dSdU)
-  {
-    assert( &U == smearer );
-    smearer->logDetJacobianForce(dSdU);
-  }
-
-private:
- };
-
-NAMESPACE_END(Grid);
-

Grid/qcd/smearing/StoutSmearing.h

@@ -40,9 +40,7 @@ template <class Gimpl>
 class Smear_Stout : public Smear<Gimpl> {
  private:
   int OrthogDim = -1;
-public:
   const std::vector<double> SmearRho;
-private:
   // Smear<Gimpl>* ownership semantics:
   //    Smear<Gimpl>* passed in to constructor are owned by caller, so we don't delete them here
   //    Smear<Gimpl>* created within constructor need to be deleted as part of the destructor

Grid/qcd/utils/CovariantCshift.h

@@ -37,14 +37,13 @@ NAMESPACE_BEGIN(Grid);
 // Make these members of an Impl class for BC's.
 
 namespace PeriodicBC { 
-  //Out(x) = Link(x)*field(x+mu)
+
   template<class covariant,class gauge> Lattice<covariant> CovShiftForward(const Lattice<gauge> &Link, 
 									   int mu,
 									   const Lattice<covariant> &field)
   {
     return Link*Cshift(field,mu,1);// moves towards negative mu
   }
-  //Out(x) = Link^dag(x-mu)*field(x-mu)
   template<class covariant,class gauge> Lattice<covariant> CovShiftBackward(const Lattice<gauge> &Link, 
 									    int mu,
 									    const Lattice<covariant> &field)
@@ -53,19 +52,19 @@ namespace PeriodicBC {
     tmp = adj(Link)*field;
     return Cshift(tmp,mu,-1);// moves towards positive mu
   }
-  //Out(x) = Link^dag(x-mu)
+
   template<class gauge> Lattice<gauge>
   CovShiftIdentityBackward(const Lattice<gauge> &Link, int mu) 
   {
     return Cshift(adj(Link), mu, -1);
   }
-  //Out(x) = Link(x)
+
   template<class gauge> Lattice<gauge>
   CovShiftIdentityForward(const Lattice<gauge> &Link, int mu)
   {
     return Link;
   }
-  //Link(x) = Link(x+mu)
+
   template<class gauge> Lattice<gauge>
   ShiftStaple(const Lattice<gauge> &Link, int mu)
   {

Grid/qcd/utils/CovariantLaplacian.h

@@ -54,361 +54,7 @@ struct LaplacianParams : Serializable {
       precision(precision){};
 };
 
-#define LEG_LOAD(Dir)						 \
-  SE = st.GetEntry(ptype, Dir, ss);				 \
-  if (SE->_is_local ) {						 \
-    int perm= SE->_permute;					 \
-    chi = coalescedReadPermute(in[SE->_offset],ptype,perm,lane); \
-  } else {							 \
-    chi = coalescedRead(buf[SE->_offset],lane);			 \
-  }								 \
-  acceleratorSynchronise();
 
-const std::vector<int> directions4D   ({Xdir,Ydir,Zdir,Tdir,Xdir,Ydir,Zdir,Tdir});
-const std::vector<int> displacements4D({1,1,1,1,-1,-1,-1,-1});
-
-template<class Gimpl,class Field> class CovariantAdjointLaplacianStencil : public SparseMatrixBase<Field>
-{
-public:
-  INHERIT_GIMPL_TYPES(Gimpl);
-//  RealD kappa;
-
-  typedef typename Field::vector_object siteObject;
-
-  template <typename vtype> using iImplDoubledGaugeField = iVector<iScalar<iMatrix<vtype, Nc> >, Nds>;
-  typedef iImplDoubledGaugeField<Simd> SiteDoubledGaugeField;
-  typedef Lattice<SiteDoubledGaugeField> DoubledGaugeField;
-  typedef CartesianStencil<siteObject, siteObject, DefaultImplParams> StencilImpl;
-
-  GridBase *grid;
-  StencilImpl Stencil;
-  SimpleCompressor<siteObject> Compressor;
-  DoubledGaugeField Uds;
-
-  CovariantAdjointLaplacianStencil( GridBase *_grid)
-    : grid(_grid),
-      Stencil    (grid,8,Even,directions4D,displacements4D),
-      Uds(grid){}
-
-  CovariantAdjointLaplacianStencil(GaugeField &Umu)
-    :
-      grid(Umu.Grid()),
-      Stencil    (grid,8,Even,directions4D,displacements4D),
-      Uds(grid)
-  { GaugeImport(Umu); }
-
-  void GaugeImport (const GaugeField &Umu)
-  {
-    assert(grid == Umu.Grid());
-    for (int mu = 0; mu < Nd; mu++) {
-      auto U = PeekIndex<LorentzIndex>(Umu, mu);
-      PokeIndex<LorentzIndex>(Uds, U, mu );
-      U = adj(Cshift(U, mu, -1));
-      PokeIndex<LorentzIndex>(Uds, U, mu + 4);
-    }
-  };
-  
-  virtual GridBase *Grid(void) { return grid; };
-//broken
-#if 0
-  virtual void  MDeriv(const Field &_left, Field &_right,Field &_der, int mu)
-  {
-    ///////////////////////////////////////////////
-    // Halo exchange for this geometry of stencil
-    ///////////////////////////////////////////////
-    Stencil.HaloExchange(_lef, Compressor);
-
-    ///////////////////////////////////
-    // Arithmetic expressions
-    ///////////////////////////////////
-    autoView( st     , Stencil    , AcceleratorRead);
-    auto buf = st.CommBuf();
-
-    autoView( in     , _left    , AcceleratorRead);
-    autoView( right    , _right   , AcceleratorRead);
-    autoView( der    , _der   , AcceleratorWrite);
-    autoView( U     , Uds    , AcceleratorRead);
-
-    typedef typename Field::vector_object        vobj;
-    typedef decltype(coalescedRead(left[0]))    calcObj;
-    typedef decltype(coalescedRead(U[0](0))) calcLink;
-
-    const int      Nsimd = vobj::Nsimd();
-    const uint64_t NN = grid->oSites();
-
-    accelerator_for( ss, NN, Nsimd, {
-
-	StencilEntry *SE;
-	
-	const int lane=acceleratorSIMTlane(Nsimd);
-
-	calcObj chi;
-	calcObj phi;
-	calcObj res;
-	calcObj Uchi;
-	calcObj Utmp;
-	calcObj Utmp2;
-	calcLink UU;
-	calcLink Udag;
-	int ptype;
-
-	res                 = coalescedRead(def[ss]);
-	phi                 = coalescedRead(right[ss]);
-
-#define LEG_LOAD_MULT_LINK(leg,polarisation)			\
-	UU = coalescedRead(U[ss](polarisation));	\
-	Udag = adj(UU);					\
-	LEG_LOAD(leg);					\
-	mult(&Utmp(), &UU, &chi());			\
-	Utmp2 = adj(Utmp);				\
-	mult(&Utmp(), &UU, &Utmp2());			\
-	Utmp2 = adj(Utmp);				\
-	mult(&Uchi(), &phi(), &Utmp2());			\
-	res = res + Uchi;
-	
-	LEG_LOAD_MULT_LINK(0,Xp);
-	LEG_LOAD_MULT_LINK(1,Yp);
-	LEG_LOAD_MULT_LINK(2,Zp);
-	LEG_LOAD_MULT_LINK(3,Tp);
-
-	coalescedWrite(der[ss], res,lane);
-    });
-
-  };
-#endif
-
-  virtual void  Morig(const Field &_in, Field &_out)
-  {
-    ///////////////////////////////////////////////
-    // Halo exchange for this geometry of stencil
-    ///////////////////////////////////////////////
-    Stencil.HaloExchange(_in, Compressor);
-
-    ///////////////////////////////////
-    // Arithmetic expressions
-    ///////////////////////////////////
-//    auto st = Stencil.View(AcceleratorRead);
-    autoView( st     , Stencil    , AcceleratorRead);
-    auto buf = st.CommBuf();
-
-    autoView( in     , _in    , AcceleratorRead);
-    autoView( out    , _out   , AcceleratorWrite);
-    autoView( U     , Uds    , AcceleratorRead);
-
-    typedef typename Field::vector_object        vobj;
-    typedef decltype(coalescedRead(in[0]))    calcObj;
-    typedef decltype(coalescedRead(U[0](0))) calcLink;
-
-    const int      Nsimd = vobj::Nsimd();
-    const uint64_t NN = grid->oSites();
-
-    accelerator_for( ss, NN, Nsimd, {
-
-	StencilEntry *SE;
-	
-	const int lane=acceleratorSIMTlane(Nsimd);
-
-	calcObj chi;
-	calcObj res;
-	calcObj Uchi;
-	calcObj Utmp;
-	calcObj Utmp2;
-	calcLink UU;
-	calcLink Udag;
-	int ptype;
-
-	res                 = coalescedRead(in[ss])*(-8.0);
-
-#define LEG_LOAD_MULT(leg,polarisation)			\
-	UU = coalescedRead(U[ss](polarisation));	\
-	Udag = adj(UU);					\
-	LEG_LOAD(leg);					\
-	mult(&Utmp(), &UU, &chi());			\
-	Utmp2 = adj(Utmp);				\
-	mult(&Utmp(), &UU, &Utmp2());			\
-	Uchi = adj(Utmp);				\
-	res = res + Uchi;
-	
-	LEG_LOAD_MULT(0,Xp);
-	LEG_LOAD_MULT(1,Yp);
-	LEG_LOAD_MULT(2,Zp);
-	LEG_LOAD_MULT(3,Tp);
-	LEG_LOAD_MULT(4,Xm);
-	LEG_LOAD_MULT(5,Ym);
-	LEG_LOAD_MULT(6,Zm);
-	LEG_LOAD_MULT(7,Tm);
-
-	coalescedWrite(out[ss], res,lane);
-    });
-
-  };
-  virtual void  Mnew (const Field &_in, Field &_out)
-  {
-    ///////////////////////////////////////////////
-    // Halo exchange for this geometry of stencil
-    ///////////////////////////////////////////////
-//    Stencil.HaloExchange(_in, Compressor);
-      std::vector<std::vector<CommsRequest_t> > requests;
-      Stencil.Prepare();
-  {
-    GRID_TRACE("Laplace Gather");
-    Stencil.HaloGather(_in,Compressor);
-  }
-
-  tracePush("Laplace Communication");
-  Stencil.CommunicateBegin(requests);
-  {
-    GRID_TRACE("MergeSHM");
-    Stencil.CommsMergeSHM(Compressor);
-  }
-    
-
-    ///////////////////////////////////
-    // Arithmetic expressions
-    ///////////////////////////////////
-//    auto st = Stencil.View(AcceleratorRead);
-    autoView( st     , Stencil    , AcceleratorRead);
-    auto buf = st.CommBuf();
-
-    autoView( in     , _in    , AcceleratorRead);
-    autoView( out    , _out   , AcceleratorWrite);
-    autoView( U     , Uds    , AcceleratorRead);
-
-    typedef typename Field::vector_object        vobj;
-    typedef decltype(coalescedRead(in[0]))    calcObj;
-    typedef decltype(coalescedRead(U[0](0))) calcLink;
-
-    const int      Nsimd = vobj::Nsimd();
-    const uint64_t NN = grid->oSites();
-
-    accelerator_for( ss, NN, Nsimd, {
-
-	StencilEntry *SE;
-	
-	const int lane=acceleratorSIMTlane(Nsimd);
-
-	calcObj chi;
-	calcObj res;
-	calcObj Uchi;
-	calcObj Utmp;
-	calcObj Utmp2;
-	calcLink UU;
-	calcLink Udag;
-	int ptype;
-
-	res                 = coalescedRead(in[ss])*(-8.0);
-
-
-        SE = st.GetEntry(ptype, 0, ss);				 
-        if (SE->_is_local ) {
-	LEG_LOAD_MULT(0,Xp);
-	}
-        SE = st.GetEntry(ptype, 1, ss);				 
-        if (SE->_is_local ) {
-	LEG_LOAD_MULT(1,Yp);
-	}
-        SE = st.GetEntry(ptype, 2, ss);				 
-        if (SE->_is_local ) {
-	LEG_LOAD_MULT(2,Zp);
-	}
-        SE = st.GetEntry(ptype, 3, ss);				 
-        if (SE->_is_local ) {
-	LEG_LOAD_MULT(3,Tp);
-	}
-        SE = st.GetEntry(ptype, 4, ss);				 
-        if (SE->_is_local ) {
-	LEG_LOAD_MULT(4,Xm);
-	}
-        SE = st.GetEntry(ptype, 5, ss);				 
-        if (SE->_is_local ) {
-	LEG_LOAD_MULT(5,Ym);
-	}
-        SE = st.GetEntry(ptype, 6, ss);				 
-        if (SE->_is_local ) {
-	LEG_LOAD_MULT(6,Zm);
-	}
-        SE = st.GetEntry(ptype, 7, ss);				 
-        if (SE->_is_local ) {
-	LEG_LOAD_MULT(7,Tm);
-	}
-
-	coalescedWrite(out[ss], res,lane);
-    });
-
-    Stencil.CommunicateComplete(requests);
-  tracePop("Communication");
-
-  {
-    GRID_TRACE("Merge");
-    Stencil.CommsMerge(Compressor);
-  }
-
-
-    accelerator_for( ss, NN, Nsimd, {
-
-	StencilEntry *SE;
-	
-	const int lane=acceleratorSIMTlane(Nsimd);
-
-	calcObj chi;
-	calcObj res;
-	calcObj Uchi;
-	calcObj Utmp;
-	calcObj Utmp2;
-	calcLink UU;
-	calcLink Udag;
-	int ptype;
-
-//	res                 = coalescedRead(in[ss])*(-8.0);
-	res                 = coalescedRead(out[ss]);
-
-        SE = st.GetEntry(ptype, 0, ss);				 
-        if ((SE->_is_local )==0){
-	LEG_LOAD_MULT(0,Xp);
-	}
-        SE = st.GetEntry(ptype, 1, ss);				 
-        if ((SE->_is_local )==0){
-	LEG_LOAD_MULT(1,Yp);
-	}
-        SE = st.GetEntry(ptype, 2, ss);				 
-        if ((SE->_is_local )==0){
-	LEG_LOAD_MULT(2,Zp);
-	}
-        SE = st.GetEntry(ptype, 3, ss);
-        if ((SE->_is_local )==0){
-	LEG_LOAD_MULT(3,Tp);
-	}
-        SE = st.GetEntry(ptype, 4, ss);
-        if ((SE->_is_local )==0){
-	LEG_LOAD_MULT(4,Xm);
-	}
-        SE = st.GetEntry(ptype, 5, ss);
-        if ((SE->_is_local )==0){
-	LEG_LOAD_MULT(5,Ym);
-	}
-        SE = st.GetEntry(ptype, 6, ss);
-        if ((SE->_is_local )==0){
-	LEG_LOAD_MULT(6,Zm);
-	}
-        SE = st.GetEntry(ptype, 7, ss);
-        if ((SE->_is_local )==0){
-	LEG_LOAD_MULT(7,Tm);
-	}
-
-	coalescedWrite(out[ss], res,lane);
-    });
-  };
-
-  virtual void  M(const Field &in, Field &out) {Mnew(in,out);};
-  virtual void  Mdag (const Field &in, Field &out) { M(in,out);}; // Laplacian is hermitian
-  virtual  void Mdiag    (const Field &in, Field &out)                  {assert(0);}; // Unimplemented need only for multigrid
-  virtual  void Mdir     (const Field &in, Field &out,int dir, int disp){assert(0);}; // Unimplemented need only for multigrid
-  virtual  void MdirAll  (const Field &in, std::vector<Field> &out)     {assert(0);}; // Unimplemented need only for multigrid
-};
-
-#undef LEG_LOAD_MULT
-#undef LEG_LOAD_MULT_LINK
-#undef LEG_LOAD
 
 ////////////////////////////////////////////////////////////
 // Laplacian operator L on adjoint fields
@@ -430,40 +76,29 @@ class LaplacianAdjointField: public Metric<typename Impl::Field> {
   LaplacianParams param;
   MultiShiftFunction PowerHalf;    
   MultiShiftFunction PowerInvHalf;    
-//template<class Gimpl,class Field> class CovariantAdjointLaplacianStencil : public SparseMatrixBase<Field>
-  CovariantAdjointLaplacianStencil<Impl,typename Impl::LinkField> LapStencil;
 
 public:
   INHERIT_GIMPL_TYPES(Impl);
 
-  LaplacianAdjointField(GridBase* grid, OperatorFunction<GaugeField>& S, LaplacianParams& p, const RealD k = 1.0, bool if_remez=true)
+  LaplacianAdjointField(GridBase* grid, OperatorFunction<GaugeField>& S, LaplacianParams& p, const RealD k = 1.0)
-    : U(Nd, grid), Solver(S), param(p), kappa(k)
+    : U(Nd, grid), Solver(S), param(p), kappa(k){
-	,LapStencil(grid){
     AlgRemez remez(param.lo,param.hi,param.precision);
     std::cout<<GridLogMessage << "Generating degree "<<param.degree<<" for x^(1/2)"<<std::endl;
-    if(if_remez){
     remez.generateApprox(param.degree,1,2);
     PowerHalf.Init(remez,param.tolerance,false);
     PowerInvHalf.Init(remez,param.tolerance,true);
-    }
-    this->triv=0;
         
 
   };
-  LaplacianAdjointField(){this->triv=0; printf("triv=%d\n",this->Trivial());}
+
   void Mdir(const GaugeField&, GaugeField&, int, int){ assert(0);}
   void MdirAll(const GaugeField&, std::vector<GaugeField> &){ assert(0);}
   void Mdiag(const GaugeField&, GaugeField&){ assert(0);}
 
   void ImportGauge(const GaugeField& _U) {
-    RealD total=0.;
     for (int mu = 0; mu < Nd; mu++) {
       U[mu] = PeekIndex<LorentzIndex>(_U, mu);
-      total += norm2(U[mu]);
     }
-    LapStencil.GaugeImport (_U);
-
-    std::cout << GridLogDebug <<"ImportGauge:norm2(U _U) = "<<total<<std::endl;
   }
 
   void M(const GaugeField& in, GaugeField& out) {
@@ -471,12 +106,10 @@ public:
     // test
     //GaugeField herm = in + adj(in);
     //std::cout << "AHermiticity: " << norm2(herm) << std::endl;
-//    std::cout << GridLogDebug <<"M:Kappa = "<<kappa<<std::endl;
 
-    GaugeLinkField sum(in.Grid());
-#if 0
     GaugeLinkField tmp(in.Grid());
     GaugeLinkField tmp2(in.Grid());
+    GaugeLinkField sum(in.Grid());
 
     for (int nu = 0; nu < Nd; nu++) {
       sum = Zero();
@@ -490,22 +123,10 @@ public:
       out_nu = (1.0 - kappa) * in_nu - kappa / (double(4 * Nd)) * sum;
       PokeIndex<LorentzIndex>(out, out_nu, nu);
     }
-#else
-    for (int nu = 0; nu < Nd; nu++) {
-      GaugeLinkField in_nu = PeekIndex<LorentzIndex>(in, nu);
-      GaugeLinkField out_nu(out.Grid());
-      LapStencil.M(in_nu,sum);
-      out_nu = (1.0 - kappa) * in_nu - kappa / (double(4 * Nd)) * sum;
-      PokeIndex<LorentzIndex>(out, out_nu, nu);
   }
-#endif
-//    std::cout << GridLogDebug <<"M:norm2(out) = "<<norm2(out)<<std::endl;
-  }
-
 
   void MDeriv(const GaugeField& in, GaugeField& der) {
     // in is anti-hermitian
-//    std::cout << GridLogDebug <<"MDeriv:Kappa = "<<kappa<<std::endl;
     RealD factor = -kappa / (double(4 * Nd));
     
     for (int mu = 0; mu < Nd; mu++){
@@ -519,7 +140,6 @@ public:
       // adjoint in the last multiplication
       PokeIndex<LorentzIndex>(der,  -2.0 * factor * der_mu, mu);
     } 
-    std::cout << GridLogDebug <<"MDeriv: Kappa= "<< kappa << " norm2(der) = "<<norm2(der)<<std::endl;
   }
 
   // separating this temporarily
@@ -539,22 +159,11 @@ public:
       }
       PokeIndex<LorentzIndex>(der, -factor * der_mu, mu);
     }
-    std::cout << GridLogDebug <<"MDeriv: Kappa= "<< kappa << " norm2(der) = "<<norm2(der)<<std::endl;
   }
 
   void Minv(const GaugeField& in, GaugeField& inverted){
     HermitianLinearOperator<LaplacianAdjointField<Impl>,GaugeField> HermOp(*this);
     Solver(HermOp, in, inverted);
-    std::cout << GridLogDebug <<"Minv:norm2(inverted) = "<<norm2(inverted)<<std::endl;
-  }
-
-
-  void MinvDeriv(const GaugeField& in, GaugeField& der) {
-    GaugeField X(in.Grid());
-    Minv(in,X);
-    MDeriv(X,der);
-    der *=-1.0;
-    std::cout << GridLogDebug <<"MinvDeriv:norm2(der) = "<<norm2(der)<<std::endl;
   }
 
   void MSquareRoot(GaugeField& P){
@@ -563,7 +172,6 @@ public:
     ConjugateGradientMultiShift<GaugeField> msCG(param.MaxIter,PowerHalf);
     msCG(HermOp,P,Gp);
     P = Gp; 
-    std::cout << GridLogDebug <<"MSquareRoot:norm2(P) = "<<norm2(P)<<std::endl;
   }
 
   void MInvSquareRoot(GaugeField& P){
@@ -572,7 +180,6 @@ public:
     ConjugateGradientMultiShift<GaugeField> msCG(param.MaxIter,PowerInvHalf);
     msCG(HermOp,P,Gp);
     P = Gp; 
-    std::cout << GridLogDebug <<"MInvSquareRoot:norm2(P) = "<<norm2(P)<<std::endl;
   }
 
 

Grid/qcd/utils/CovariantLaplacianRat.h

@@ -1,403 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/action/scalar/CovariantLaplacianRat.h
-
-Copyright (C) 2021
-
-Author: Chulwoo Jung <chulwoo@bnl.gov>
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-			   /*  END LEGAL */
-#pragma once 
-#define MIXED_CG
-//enable/disable push_back
-#undef USE_CHRONO 
-
-//#include <roctracer/roctx.h>
-
-NAMESPACE_BEGIN(Grid);
-
-struct LaplacianRatParams {
-
-  RealD offset;
-  int order;
-  std::vector<RealD> a0;
-  std::vector<RealD> a1;
-  std::vector<RealD> b0;
-  std::vector<RealD> b1;
-  RealD b2; //for debugging
-  int   MaxIter;
-  RealD tolerance;
-  int   precision;
-  
-  // constructor 
-  LaplacianRatParams(int ord = 1,
-                  int maxit     = 1000,
-                  RealD tol     = 1.0e-8, 
-                  int precision = 64)
-    : offset(1.), order(ord),b2(1.),
-      MaxIter(maxit),
-      tolerance(tol),
-      precision(precision){ 
-      a0.resize(ord,0.);
-      a1.resize(ord,0.);
-      b0.resize(ord,0.);
-      b1.resize(ord,0.);
-      };
-};
-
-
-
-////////////////////////////////////////////////////////////
-// Laplacian operator L on adjoint fields
-//
-// phi: adjoint field
-// L: D_mu^dag D_mu
-//
-// L phi(x) = Sum_mu [ U_mu(x)phi(x+mu)U_mu(x)^dag + 
-//                     U_mu(x-mu)^dag phi(x-mu)U_mu(x-mu)
-//                     -2phi(x)]
-//
-// Operator designed to be encapsulated by
-// an HermitianLinearOperator<.. , ..>
-////////////////////////////////////////////////////////////
-
-template <class Impl, class ImplF>
-class LaplacianAdjointRat: public Metric<typename Impl::Field> {
-  OperatorFunction<typename Impl::Field> &Solver;
-  LaplacianRatParams Gparam;
-  LaplacianRatParams Mparam;
-  GridBase *grid;
-  GridBase *grid_f;
-  CovariantAdjointLaplacianStencil<Impl,typename Impl::LinkField> LapStencil;
-  CovariantAdjointLaplacianStencil<ImplF,typename ImplF::LinkField> LapStencilF;
-public:
-  INHERIT_GIMPL_TYPES(Impl);
-//   typedef typename GImpl::LinkField GaugeLinkField; \
-//  typedef typename GImpl::Field GaugeField;         
-  typedef typename ImplF::Field GaugeFieldF;
-  typedef typename ImplF::LinkField GaugeLinkFieldF; \
-  GaugeField Usav;
-  GaugeFieldF UsavF;
-  std::vector< std::vector<GaugeLinkField> > prev_solnsM;
-  std::vector< std::vector<GaugeLinkField> > prev_solnsMinv;
-  std::vector< std::vector<GaugeLinkField> > prev_solnsMDeriv;
-  std::vector< std::vector<GaugeLinkField> > prev_solnsMinvDeriv;
-
-	  LaplacianAdjointRat(GridBase* _grid, GridBase* _grid_f, OperatorFunction<GaugeField>& S, LaplacianRatParams& gpar, LaplacianRatParams& mpar)
-    : grid(_grid),grid_f(_grid_f), LapStencil(_grid), LapStencilF(_grid_f), U(Nd, _grid), Solver(S), Gparam(gpar), Mparam(mpar),Usav(_grid), UsavF(_grid_f),
-      prev_solnsM(4),prev_solnsMinv(4),prev_solnsMDeriv(4),prev_solnsMinvDeriv(4) {
-//    std::cout<<GridLogMessage << "Generating degree "<<param.degree<<" for x^(1/2)"<<std::endl;
-    this->triv=0;
-        
-
-  };
-  LaplacianAdjointRat(){this->triv=0; printf("triv=%d\n",this->Trivial());}
-  void Mdir(const GaugeField&, GaugeField&, int, int){ assert(0);}
-  void MdirAll(const GaugeField&, std::vector<GaugeField> &){ assert(0);}
-  void Mdiag(const GaugeField&, GaugeField&){ assert(0);}
-
-  void ImportGauge(const GaugeField& _U) {
-    RealD total=0.;
-    for (int mu = 0; mu < Nd; mu++) {
-      U[mu] = PeekIndex<LorentzIndex>(_U, mu);
-      total += norm2(U[mu]);
-    }
-    Usav = _U;
-    precisionChange(UsavF,Usav);
-    std::cout <<GridLogDebug << "ImportGauge:norm2(_U) = "<<" "<<total<<std::endl;
-  }
-
-  void MDerivLink(const GaugeLinkField& left, const GaugeLinkField& right,
-              GaugeField& der) {
-    std::cout<<GridLogMessage << "MDerivLink start "<< std::endl;
-    RealD factor = -1. / (double(4 * Nd));
-    for (int mu = 0; mu < Nd; mu++) {
-      GaugeLinkField der_mu(der.Grid());
-      der_mu = Zero();
-//      for (int nu = 0; nu < Nd; nu++) {
-//        GaugeLinkField left_nu = PeekIndex<LorentzIndex>(left, nu);
-//        GaugeLinkField right_nu = PeekIndex<LorentzIndex>(right, nu);
-        der_mu += U[mu] * Cshift(left, mu, 1) * adj(U[mu]) * right;
-        der_mu += U[mu] * Cshift(right, mu, 1) * adj(U[mu]) * left;
-//      }
-      PokeIndex<LorentzIndex>(der, -factor * der_mu, mu);
-    }
-//    std::cout << GridLogDebug <<"MDerivLink:  norm2(der) = "<<norm2(der)<<std::endl;
-    std::cout<<GridLogMessage << "MDerivLink end "<< std::endl;
-  }
-
-  void MDerivLink(const GaugeLinkField& left, const GaugeLinkField& right,
-              std::vector<GaugeLinkField> & der) {
-//    std::cout<<GridLogMessage << "MDerivLink "<< std::endl;
-    RealD factor = -1. / (double(4 * Nd));
-
-    for (int mu = 0; mu < Nd; mu++) {
-      GaugeLinkField der_mu(left.Grid());
-      der_mu = Zero();
-        der_mu += U[mu] * Cshift(left, mu, 1) * adj(U[mu]) * right;
-        der_mu += U[mu] * Cshift(right, mu, 1) * adj(U[mu]) * left;
-//      PokeIndex<LorentzIndex>(der, -factor * der_mu, mu);
-      der[mu] = -factor*der_mu;
-//      std::cout << GridLogDebug <<"MDerivLink:  norm2(der) = "<<norm2(der[mu])<<std::endl;
-        
-    }
-//    std::cout<<GridLogMessage << "MDerivLink end "<< std::endl;
-  }
-
-  void MDerivInt(LaplacianRatParams &par, const GaugeField& left, const GaugeField& right,
-              GaugeField& der ,  std::vector< std::vector<GaugeLinkField> >& prev_solns ) {
-
-// get rid of this please
-    std::cout<<GridLogMessage << "LaplaceStart " <<std::endl;
-    RealD fac =  - 1. / (double(4 * Nd)) ;
-    RealD coef=0.5;
-    LapStencil.GaugeImport(Usav);
-    LapStencilF.GaugeImport(UsavF);
-
-
-    for (int nu=0;nu<Nd;nu++){
-        GaugeLinkField right_nu = PeekIndex<LorentzIndex>(right, nu);
-        GaugeLinkField left_nu = PeekIndex<LorentzIndex>(left, nu);
-        GaugeLinkField LMinvMom(left.Grid());
-    
-        GaugeLinkField GMom(left.Grid());
-        GaugeLinkField LMinvGMom(left.Grid());
-    
-        GaugeLinkField AGMom(left.Grid());
-        GaugeLinkField MinvAGMom(left.Grid());
-        GaugeLinkField LMinvAGMom(left.Grid());
-    
-        GaugeLinkField AMinvMom(left.Grid());
-        GaugeLinkField LMinvAMom(left.Grid());
-        GaugeLinkField temp(left.Grid());
-        GaugeLinkField temp2(left.Grid());
-    
-        std::vector<GaugeLinkField> MinvMom(par.order,left.Grid());
-    
-        GaugeLinkField MinvGMom(left.Grid());
-        GaugeLinkField Gtemp(left.Grid());
-        GaugeLinkField Gtemp2(left.Grid());
-    
-    
-        ConjugateGradient<GaugeLinkField> CG(par.tolerance,10000,false);
-    //    ConjugateGradient<GaugeFieldF> CG_f(par.tolerance,10000,false);
-        LaplacianParams LapPar(0.0001, 1.0, 10000, 1e-8, 12, 64);
-    
-        ChronoForecast< QuadLinearOperator<CovariantAdjointLaplacianStencil<Impl,GaugeLinkField>,GaugeLinkField> , GaugeLinkField> Forecast;
-    
-        GMom = par.offset * right_nu;
-    
-        for(int i =0;i<par.order;i++){
-        QuadLinearOperator<CovariantAdjointLaplacianStencil<Impl,typename Impl::LinkField>,GaugeLinkField> QuadOp(LapStencil,par.b0[i],fac*par.b1[i],fac*fac*par.b2);
-#if USE_CHRONO
-        MinvMom[i] = Forecast(QuadOp, right_nu, prev_solns[nu]);
-#endif
-#ifndef MIXED_CG
-        CG(QuadOp,right_nu,MinvMom[i]);
-#else
-        QuadLinearOperator<CovariantAdjointLaplacianStencil<ImplF,typename ImplF::LinkField>,GaugeLinkFieldF> QuadOpF(LapStencilF,par.b0[i],fac*par.b1[i],fac*fac*par.b2);
-    //    QuadLinearOperator<LaplacianAdjointField<ImplF>,GaugeLinkFieldF> QuadOpF(LapStencilF,par.b0[i],par.b1[i],par.b2);
-        MixedPrecisionConjugateGradient<GaugeLinkField,GaugeLinkFieldF> MixedCG(par.tolerance,10000,10000,grid_f,QuadOpF,QuadOp);
-        MixedCG.InnerTolerance=par.tolerance;
-        MixedCG(right_nu,MinvMom[i]);
-    #endif
-    #if USE_CHRONO
-        prev_solns[nu].push_back(MinvMom[i]);
-    #endif
-        
-        GMom += par.a0[i]*MinvMom[i]; 
-        LapStencil.M(MinvMom[i],Gtemp2);
-        GMom += par.a1[i]*fac*Gtemp2; 
-        }
-        for(int i =0;i<par.order;i++){
-        QuadLinearOperator<CovariantAdjointLaplacianStencil<Impl,typename Impl::LinkField>,GaugeLinkField> QuadOp(LapStencil,par.b0[i],fac*par.b1[i],fac*fac*par.b2);
-    
-        MinvGMom = Forecast(QuadOp, GMom, prev_solns[nu]);
-    #ifndef MIXED_CG
-        CG(QuadOp,GMom,MinvGMom);
-        LapStencil.M(MinvGMom, Gtemp2); LMinvGMom=fac*Gtemp2;
-        CG(QuadOp,right_nu,MinvMom[i]);
-    #else
-        QuadLinearOperator<CovariantAdjointLaplacianStencil<ImplF,typename ImplF::LinkField>,GaugeLinkFieldF> QuadOpF(LapStencilF,par.b0[i],fac*par.b1[i],fac*fac*par.b2);
-    //    QuadLinearOperator<LaplacianAdjointField<ImplF>,GaugeLinkFieldF> QuadOpF(LapStencilF,par.b0[i],par.b1[i],par.b2);
-        MixedPrecisionConjugateGradient<GaugeLinkField,GaugeLinkFieldF> MixedCG(par.tolerance,10000,10000,grid_f,QuadOpF,QuadOp);
-        MixedCG.InnerTolerance=par.tolerance;
-        MixedCG(GMom,MinvGMom);
-        LapStencil.M(MinvGMom, Gtemp2); LMinvGMom=fac*Gtemp2;
-    //    Laplacian.M(MinvGMom, LMinvGMom);
-        MixedCG(right_nu,MinvMom[i]);
-    #endif
-#if USE_CHRONO
-        prev_solns[nu].push_back(MinvGMom);
-#endif
-    
-        LapStencil.M(MinvMom[i], Gtemp2); LMinvMom=fac*Gtemp2;
-        AMinvMom = par.a1[i]*LMinvMom;
-        AMinvMom += par.a0[i]*MinvMom[i];
-    
-        LapStencil.M(AMinvMom, Gtemp2); LMinvAMom=fac*Gtemp2;
-        LapStencil.M(MinvGMom, Gtemp2); temp=fac*Gtemp2;
-        MinvAGMom = par.a1[i]*temp;
-        MinvAGMom += par.a0[i]*MinvGMom;
-        LapStencil.M(MinvAGMom, Gtemp2); LMinvAGMom=fac*Gtemp2;
-    
-    
-        GaugeField tempDer(left.Grid());
-        std::vector<GaugeLinkField> DerLink(Nd,left.Grid());
-        std::vector<GaugeLinkField> tempDerLink(Nd,left.Grid());
-
-        std::cout<<GridLogMessage << "force contraction "<< i <<std::endl;
-    //    roctxRangePushA("RMHMC force contraction");
- #if 0
-        MDerivLink(GMom,MinvMom[i],tempDer); der += coef*2*par.a1[i]*tempDer;
-        MDerivLink(left_nu,MinvGMom,tempDer); der += coef*2*par.a1[i]*tempDer;
-        MDerivLink(LMinvAGMom,MinvMom[i],tempDer); der += coef*-2.*par.b2*tempDer;
-        MDerivLink(LMinvAMom,MinvGMom,tempDer); der += coef*-2.*par.b2*tempDer;
-        MDerivLink(MinvAGMom,LMinvMom,tempDer); der += coef*-2.*par.b2*tempDer;
-        MDerivLink(AMinvMom,LMinvGMom,tempDer); der += coef*-2.*par.b2*tempDer;
-        MDerivLink(MinvAGMom,MinvMom[i],tempDer); der += coef*-2.*par.b1[i]*tempDer;
-        MDerivLink(AMinvMom,MinvGMom,tempDer); der += coef*-2.*par.b1[i]*tempDer;
-#else
-	for (int mu=0;mu<Nd;mu++) DerLink[mu]=Zero();
-        MDerivLink(GMom,MinvMom[i],tempDerLink); 	for (int mu=0;mu<Nd;mu++) DerLink[mu] += coef*2*par.a1[i]*tempDerLink[mu];
-        MDerivLink(left_nu,MinvGMom,tempDerLink); 	for (int mu=0;mu<Nd;mu++) DerLink[mu] += coef*2*par.a1[i]*tempDerLink[mu];
-        MDerivLink(LMinvAGMom,MinvMom[i],tempDerLink); 	for (int mu=0;mu<Nd;mu++) DerLink[mu] += coef*-2.*par.b2*tempDerLink[mu];
-        MDerivLink(LMinvAMom,MinvGMom,tempDerLink); 	for (int mu=0;mu<Nd;mu++) DerLink[mu] += coef*-2.*par.b2*tempDerLink[mu];
-        MDerivLink(MinvAGMom,LMinvMom,tempDerLink); 	for (int mu=0;mu<Nd;mu++) DerLink[mu] += coef*-2.*par.b2*tempDerLink[mu];
-        MDerivLink(AMinvMom,LMinvGMom,tempDerLink); 	for (int mu=0;mu<Nd;mu++) DerLink[mu] += coef*-2.*par.b2*tempDerLink[mu];
-        MDerivLink(MinvAGMom,MinvMom[i],tempDerLink); 	for (int mu=0;mu<Nd;mu++) DerLink[mu] += coef*-2.*par.b1[i]*tempDerLink[mu];
-        MDerivLink(AMinvMom,MinvGMom,tempDerLink); 	for (int mu=0;mu<Nd;mu++) DerLink[mu] += coef*-2.*par.b1[i]*tempDerLink[mu];
-//      PokeIndex<LorentzIndex>(der, -factor * der_mu, mu);
-        for (int mu=0;mu<Nd;mu++) PokeIndex<LorentzIndex>(tempDer, tempDerLink[mu], mu);
-
-	der += tempDer;
-#endif
-        std::cout<<GridLogMessage << "coef =  force contraction "<< i << "done "<< coef <<std::endl;
-    //    roctxRangePop();
-    
-        }
-    }
-    std::cout<<GridLogMessage << "LaplaceEnd " <<std::endl;
-//  exit(-42);
-  }
-
-  void MDeriv(const GaugeField& in, GaugeField& der) {
-    MDeriv(in,in, der);
-  }
-
-  void MDeriv(const GaugeField& left, const GaugeField& right,
-              GaugeField& der) {
-
-    der=Zero();
-    MDerivInt(Mparam, left, right, der,prev_solnsMDeriv );
-    std::cout <<GridLogDebug << "MDeriv:norm2(der) = "<<norm2(der)<<std::endl;
-  }
-
-  void MinvDeriv(const GaugeField& in, GaugeField& der) {
-    std::vector< std::vector<GaugeLinkField> > prev_solns(4);
-    der=Zero();
-    MDerivInt(Gparam, in, in, der,prev_solnsMinvDeriv);
-    std::cout <<GridLogDebug << "MinvDeriv:norm2(der) = "<<norm2(der)<<std::endl;
-  }
-
-
-  void MSquareRootInt(LaplacianRatParams &par, GaugeField& P, std::vector< std::vector<GaugeLinkField> > & prev_solns ){
-
-    std::cout<<GridLogMessage << "LaplaceStart " <<std::endl;
-    RealD fac = -1. / (double(4 * Nd));
-    LapStencil.GaugeImport(Usav);
-    LapStencilF.GaugeImport(UsavF);
-    for(int nu=0; nu<Nd;nu++){
-        GaugeLinkField P_nu = PeekIndex<LorentzIndex>(P, nu);
-        GaugeLinkField Gp(P.Grid());
-        Gp = par.offset * P_nu;
-        ConjugateGradient<GaugeLinkField> CG(par.tolerance,10000);
-    //    ConjugateGradient<GaugeLinkFieldF> CG_f(1.0e-8,10000);
-    
-        ChronoForecast< QuadLinearOperator<CovariantAdjointLaplacianStencil<Impl,typename Impl::LinkField>,GaugeLinkField> , GaugeLinkField> Forecast;
-    
-        GaugeLinkField Gtemp(P.Grid());
-        GaugeLinkField Gtemp2(P.Grid());
-    
-    
-        for(int i =0;i<par.order;i++){
-        QuadLinearOperator<CovariantAdjointLaplacianStencil<Impl,typename Impl::LinkField>,GaugeLinkField> QuadOp(LapStencil,par.b0[i],fac*par.b1[i],fac*fac*par.b2);
-    
-        Gtemp = Forecast(QuadOp, P_nu, prev_solns[nu]);
-    #ifndef MIXED_CG
-        CG(QuadOp,P_nu,Gtemp);
-    #else
-        QuadLinearOperator<CovariantAdjointLaplacianStencil<ImplF,typename ImplF::LinkField>,GaugeLinkFieldF> QuadOpF(LapStencilF,par.b0[i],fac*par.b1[i],fac*fac*par.b2);
-    //    QuadLinearOperator<LaplacianAdjointField<ImplF>,GaugeFieldF> QuadOpF(LapStencilF,par.b0[i],par.b1[i],par.b2);
-        MixedPrecisionConjugateGradient<GaugeLinkField,GaugeLinkFieldF> MixedCG(par.tolerance,10000,10000,grid_f,QuadOpF,QuadOp);
-        MixedCG.InnerTolerance=par.tolerance;
-        MixedCG(P_nu,Gtemp);
-    #endif
-    #if USE_CHRONO
-        prev_solns[nu].push_back(Gtemp);
-    #endif
-    
-        Gp += par.a0[i]*Gtemp; 
-        LapStencil.M(Gtemp,Gtemp2);
-        Gp += par.a1[i]*fac*Gtemp2; 
-        }
-        PokeIndex<LorentzIndex>(P, Gp, nu);
-    }
-    std::cout<<GridLogMessage << "LaplaceEnd " <<std::endl;
-  }
-
-  void MSquareRoot(GaugeField& P){
-    std::vector< std::vector<GaugeLinkField> > prev_solns(4);
-    MSquareRootInt(Mparam,P,prev_solns);
-    std::cout <<GridLogDebug << "MSquareRoot:norm2(P) = "<<norm2(P)<<std::endl;
-  }
-
-  void MInvSquareRoot(GaugeField& P){
-    std::vector< std::vector<GaugeLinkField> > prev_solns(4);
-    MSquareRootInt(Gparam,P,prev_solns);
-    std::cout <<GridLogDebug << "MInvSquareRoot:norm2(P) = "<<norm2(P)<<std::endl;
-  }
-
-  void M(const GaugeField& in, GaugeField& out) {
-      out = in;
-      std::vector< std::vector<GaugeLinkField> > prev_solns(4);
-      MSquareRootInt(Mparam,out,prev_solns);
-      MSquareRootInt(Mparam,out,prev_solns);
-      std::cout <<GridLogDebug << "M:norm2(out) = "<<norm2(out)<<std::endl;
-  }
-
-  void Minv(const GaugeField& in, GaugeField& inverted){
-      inverted = in;
-      std::vector< std::vector<GaugeLinkField> > prev_solns(4);
-      MSquareRootInt(Gparam,inverted,prev_solns);
-      MSquareRootInt(Gparam,inverted,prev_solns);
-      std::cout <<GridLogDebug << "Minv:norm2(inverted) = "<<norm2(inverted)<<std::endl;
-  }
-
-
-
-private:
-  std::vector<GaugeLinkField> U;
-};
-#undef MIXED_CG
-
-NAMESPACE_END(Grid);

Grid/qcd/utils/GaugeGroup.h

@@ -1,470 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/utils/GaugeGroup.h
-
-Copyright (C) 2015
-
-Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: neo <cossu@post.kek.jp>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#ifndef QCD_UTIL_GAUGEGROUP_H
-#define QCD_UTIL_GAUGEGROUP_H
-
-// Important detail: nvcc requires all template parameters to have names.
-// This is the only reason why the second template parameter has a name.
-#define ONLY_IF_SU                                                       \
-  typename dummy_name = group_name,                                      \
-           typename named_dummy = std::enable_if_t <                                 \
-                          std::is_same<dummy_name, group_name>::value && \
-                      is_su<dummy_name>::value >
-
-#define ONLY_IF_Sp                                                       \
-  typename dummy_name = group_name,                                      \
-           typename named_dummy = std::enable_if_t <                                 \
-                          std::is_same<dummy_name, group_name>::value && \
-                      is_sp<dummy_name>::value >
-
-NAMESPACE_BEGIN(Grid);
-namespace GroupName {
-class SU {};
-class Sp {};
-}  // namespace GroupName
-
-template <typename group_name>
-struct is_su {
-  static const bool value = false;
-};
-
-template <>
-struct is_su<GroupName::SU> {
-  static const bool value = true;
-};
-
-template <typename group_name>
-struct is_sp {
-  static const bool value = false;
-};
-
-template <>
-struct is_sp<GroupName::Sp> {
-  static const bool value = true;
-};
-
-template <typename group_name>
-constexpr int compute_adjoint_dimension(int ncolour);
-
-template <>
-constexpr int compute_adjoint_dimension<GroupName::SU>(int ncolour) {
-  return ncolour * ncolour - 1;
-}
-
-template <>
-constexpr int compute_adjoint_dimension<GroupName::Sp>(int ncolour) {
-  return ncolour / 2 * (ncolour + 1);
-}
-
-template <int ncolour, class group_name>
-class GaugeGroup {
- public:
-  static const int Dimension = ncolour;
-  static const int AdjointDimension =
-      compute_adjoint_dimension<group_name>(ncolour);
-  static const int AlgebraDimension =
-      compute_adjoint_dimension<group_name>(ncolour);
-
-  template <typename vtype>
-  using iSU2Matrix = iScalar<iScalar<iMatrix<vtype, 2> > >;
-  template <typename vtype>
-  using iGroupMatrix = iScalar<iScalar<iMatrix<vtype, ncolour> > >;
-  template <typename vtype>
-  using iAlgebraVector = iScalar<iScalar<iVector<vtype, AdjointDimension> > >;
-  static int su2subgroups(void) { return su2subgroups(group_name()); }
-
-  //////////////////////////////////////////////////////////////////////////////////////////////////
-  // Types can be accessed as SU<2>::Matrix , SU<2>::vSUnMatrix,
-  // SU<2>::LatticeMatrix etc...
-  //////////////////////////////////////////////////////////////////////////////////////////////////
-  typedef iGroupMatrix<Complex> Matrix;
-  typedef iGroupMatrix<ComplexF> MatrixF;
-  typedef iGroupMatrix<ComplexD> MatrixD;
-
-  typedef iGroupMatrix<vComplex> vMatrix;
-  typedef iGroupMatrix<vComplexF> vMatrixF;
-  typedef iGroupMatrix<vComplexD> vMatrixD;
-
-  // For the projectors to the algebra
-  // these should be real...
-  // keeping complex for consistency with the SIMD vector types
-  typedef iAlgebraVector<Complex> AlgebraVector;
-  typedef iAlgebraVector<ComplexF> AlgebraVectorF;
-  typedef iAlgebraVector<ComplexD> AlgebraVectorD;
-
-  typedef iAlgebraVector<vComplex> vAlgebraVector;
-  typedef iAlgebraVector<vComplexF> vAlgebraVectorF;
-  typedef iAlgebraVector<vComplexD> vAlgebraVectorD;
-
-  typedef Lattice<vMatrix> LatticeMatrix;
-  typedef Lattice<vMatrixF> LatticeMatrixF;
-  typedef Lattice<vMatrixD> LatticeMatrixD;
-
-  typedef Lattice<vAlgebraVector> LatticeAlgebraVector;
-  typedef Lattice<vAlgebraVectorF> LatticeAlgebraVectorF;
-  typedef Lattice<vAlgebraVectorD> LatticeAlgebraVectorD;
-
-  typedef iSU2Matrix<Complex> SU2Matrix;
-  typedef iSU2Matrix<ComplexF> SU2MatrixF;
-  typedef iSU2Matrix<ComplexD> SU2MatrixD;
-
-  typedef iSU2Matrix<vComplex> vSU2Matrix;
-  typedef iSU2Matrix<vComplexF> vSU2MatrixF;
-  typedef iSU2Matrix<vComplexD> vSU2MatrixD;
-
-  typedef Lattice<vSU2Matrix> LatticeSU2Matrix;
-  typedef Lattice<vSU2MatrixF> LatticeSU2MatrixF;
-  typedef Lattice<vSU2MatrixD> LatticeSU2MatrixD;
-
-  // Private implementation details are specified in the following files:
-  // Grid/qcd/utils/SUn.impl
-  // Grid/qcd/utils/SUn.impl
-  // The public part of the interface follows below and refers to these
-  // private member functions.
-
-#include <Grid/qcd/utils/SUn.impl.h>
-#include <Grid/qcd/utils/Sp2n.impl.h>
-
- public:
-  template <class cplx>
-  static void generator(int lieIndex, iGroupMatrix<cplx> &ta) {
-    return generator(lieIndex, ta, group_name());
-  }
-
-  static void su2SubGroupIndex(int &i1, int &i2, int su2_index) {
-    return su2SubGroupIndex(i1, i2, su2_index, group_name());
-  }
-
-  static void testGenerators(void) { testGenerators(group_name()); }
-
-  static void printGenerators(void) {
-    for (int gen = 0; gen < AlgebraDimension; gen++) {
-      Matrix ta;
-      generator(gen, ta);
-      std::cout << GridLogMessage << "Nc = " << ncolour << " t_" << gen
-                << std::endl;
-      std::cout << GridLogMessage << ta << std::endl;
-    }
-  }
-
-  template <typename LatticeMatrixType>
-  static void LieRandomize(GridParallelRNG &pRNG, LatticeMatrixType &out,
-                           double scale = 1.0) {
-    GridBase *grid = out.Grid();
-
-    typedef typename LatticeMatrixType::vector_type vector_type;
-
-    typedef iSinglet<vector_type> vTComplexType;
-
-    typedef Lattice<vTComplexType> LatticeComplexType;
-    typedef typename GridTypeMapper<
-        typename LatticeMatrixType::vector_object>::scalar_object MatrixType;
-
-    LatticeComplexType ca(grid);
-    LatticeMatrixType lie(grid);
-    LatticeMatrixType la(grid);
-    ComplexD ci(0.0, scale);
-    MatrixType ta;
-
-    lie = Zero();
-
-    for (int a = 0; a < AlgebraDimension; a++) {
-      random(pRNG, ca);
-
-      ca = (ca + conjugate(ca)) * 0.5;
-      ca = ca - 0.5;
-
-      generator(a, ta);
-
-      la = ci * ca * ta;
-
-      lie = lie + la;  // e^{i la ta}
-    }
-    taExp(lie, out);
-  }
-
-  static void GaussianFundamentalLieAlgebraMatrix(GridParallelRNG &pRNG,
-                                                  LatticeMatrix &out,
-                                                  Real scale = 1.0) {
-    GridBase *grid = out.Grid();
-    LatticeReal ca(grid);
-    LatticeMatrix la(grid);
-    Complex ci(0.0, scale);
-    Matrix ta;
-
-    out = Zero();
-    for (int a = 0; a < AlgebraDimension; a++) {
-      gaussian(pRNG, ca);
-      generator(a, ta);
-      la = toComplex(ca) * ta;
-      out += la;
-    }
-    out *= ci;
-  }
-
-  static void FundamentalLieAlgebraMatrix(const LatticeAlgebraVector &h,
-                                          LatticeMatrix &out,
-                                          Real scale = 1.0) {
-    conformable(h, out);
-    GridBase *grid = out.Grid();
-    LatticeMatrix la(grid);
-    Matrix ta;
-
-    out = Zero();
-    for (int a = 0; a < AlgebraDimension; a++) {
-      generator(a, ta);
-      la = peekColour(h, a) * timesI(ta) * scale;
-      out += la;
-    }
-  }
-
-  // Projects the algebra components a lattice matrix (of dimension ncol*ncol -1
-  // ) inverse operation: FundamentalLieAlgebraMatrix
-  static void projectOnAlgebra(LatticeAlgebraVector &h_out,
-                               const LatticeMatrix &in, Real scale = 1.0) {
-    conformable(h_out, in);
-    h_out = Zero();
-    Matrix Ta;
-
-    for (int a = 0; a < AlgebraDimension; a++) {
-      generator(a, Ta);
-      pokeColour(h_out, -2.0 * (trace(timesI(Ta) * in)) * scale, a);
-    }
-  }
-
-   
-  template <class vtype>
-  accelerator_inline static iScalar<vtype> ProjectOnGeneralGroup(const iScalar<vtype> &r) {
-    return ProjectOnGeneralGroup(r, group_name());
-  }
-
-  template <class vtype, int N>
-  accelerator_inline static iVector<vtype,N> ProjectOnGeneralGroup(const iVector<vtype,N> &r) {
-    return ProjectOnGeneralGroup(r, group_name());
-  }
-
-  template <class vtype,int N, typename std::enable_if< GridTypeMapper<vtype>::TensorLevel == 0 >::type * =nullptr>
-  accelerator_inline static iMatrix<vtype,N> ProjectOnGeneralGroup(const iMatrix<vtype,N> &arg) {
-    return ProjectOnGeneralGroup(arg, group_name());
-  }
-
-  template <int N,class vComplex_t>                  // Projects on the general groups U(N), Sp(2N)xZ2 i.e. determinant is allowed a complex phase.
-  static void ProjectOnGeneralGroup(Lattice<iVector<iScalar<iMatrix<vComplex_t, N> >, Nd> > &U) {
-    for (int mu = 0; mu < Nd; mu++) {
-      auto Umu = PeekIndex<LorentzIndex>(U, mu);
-      Umu = ProjectOnGeneralGroup(Umu);
-    }
-  }
-       
-
-  
-  template <int N,class vComplex_t>
-  static Lattice<iScalar<iScalar<iMatrix<vComplex_t, N> > > > ProjectOnGeneralGroup(const Lattice<iScalar<iScalar<iMatrix<vComplex_t, N> > > > &Umu) {
-    return ProjectOnGeneralGroup(Umu, group_name());
-  }
-
-  template <int N,class vComplex_t>       // Projects on SU(N), Sp(2N), with unit determinant, by first projecting on general group and then enforcing unit determinant
-  static void ProjectOnSpecialGroup(Lattice<iScalar<iScalar<iMatrix<vComplex_t, N> > > > &Umu) {
-       Umu = ProjectOnGeneralGroup(Umu);
-       auto det = Determinant(Umu);
-
-       det = conjugate(det);
-
-       for (int i = 0; i < N; i++) {
-           auto element = PeekIndex<ColourIndex>(Umu, N - 1, i);
-           element = element * det;
-           PokeIndex<ColourIndex>(Umu, element, Nc - 1, i);
-       }
-   }
-
-  template <int N,class vComplex_t>    // reunitarise, resimplectify... previously ProjectSUn
-    static void ProjectOnSpecialGroup(Lattice<iVector<iScalar<iMatrix<vComplex_t, N> >, Nd> > &U) {
-      // Reunitarise
-      for (int mu = 0; mu < Nd; mu++) {
-        auto Umu = PeekIndex<LorentzIndex>(U, mu);
-        ProjectOnSpecialGroup(Umu);
-        PokeIndex<LorentzIndex>(U, Umu, mu);
-      }
-    }
-    
-  template <typename GaugeField>
-  static void HotConfiguration(GridParallelRNG &pRNG, GaugeField &out) {
-    typedef typename GaugeField::vector_type vector_type;
-    typedef iGroupMatrix<vector_type> vMatrixType;
-    typedef Lattice<vMatrixType> LatticeMatrixType;
-
-    LatticeMatrixType Umu(out.Grid());
-    LatticeMatrixType tmp(out.Grid());
-    for (int mu = 0; mu < Nd; mu++) {
-      //      LieRandomize(pRNG, Umu, 1.0);
-      //      PokeIndex<LorentzIndex>(out, Umu, mu);
-      gaussian(pRNG,Umu);
-      tmp = Ta(Umu);
-      taExp(tmp,Umu);
-      ProjectOnSpecialGroup(Umu);
-      //      ProjectSUn(Umu);
-      PokeIndex<LorentzIndex>(out, Umu, mu);
-    }
-  }
-  template <typename GaugeField>
-  static void TepidConfiguration(GridParallelRNG &pRNG, GaugeField &out) {
-    typedef typename GaugeField::vector_type vector_type;
-    typedef iGroupMatrix<vector_type> vMatrixType;
-    typedef Lattice<vMatrixType> LatticeMatrixType;
-
-    LatticeMatrixType Umu(out.Grid());
-    for (int mu = 0; mu < Nd; mu++) {
-      LieRandomize(pRNG, Umu, 0.01);
-      PokeIndex<LorentzIndex>(out, Umu, mu);
-    }
-  }
-    
-  template <typename GaugeField>
-  static void ColdConfiguration(GaugeField &out) {
-    typedef typename GaugeField::vector_type vector_type;
-    typedef iGroupMatrix<vector_type> vMatrixType;
-    typedef Lattice<vMatrixType> LatticeMatrixType;
-
-    LatticeMatrixType Umu(out.Grid());
-    Umu = 1.0;
-    for (int mu = 0; mu < Nd; mu++) {
-      PokeIndex<LorentzIndex>(out, Umu, mu);
-    }
-  }
-    
-  template <typename GaugeField>
-  static void ColdConfiguration(GridParallelRNG &pRNG, GaugeField &out) {
-    ColdConfiguration(out);
-  }
-
-  template <typename LatticeMatrixType>
-  static void taProj(const LatticeMatrixType &in, LatticeMatrixType &out) {
-    taProj(in, out, group_name());
-  }
-    
-  template <typename LatticeMatrixType>
-  static void taExp(const LatticeMatrixType &x, LatticeMatrixType &ex) {
-    typedef typename LatticeMatrixType::scalar_type ComplexType;
-
-    LatticeMatrixType xn(x.Grid());
-    RealD nfac = 1.0;
-
-    xn = x;
-    ex = xn + ComplexType(1.0);  // 1+x
-
-    // Do a 12th order exponentiation
-    for (int i = 2; i <= 12; ++i) {
-      nfac = nfac / RealD(i);  // 1/2, 1/2.3 ...
-      xn = xn * x;             // x2, x3,x4....
-      ex = ex + xn * nfac;     // x2/2!, x3/3!....
-    }
-  }
-
-};
-    
-template <int ncolour>
-using SU = GaugeGroup<ncolour, GroupName::SU>;
-
-template <int ncolour>
-using Sp = GaugeGroup<ncolour, GroupName::Sp>;
-
-typedef SU<2> SU2;
-typedef SU<3> SU3;
-typedef SU<4> SU4;
-typedef SU<5> SU5;
-
-typedef SU<Nc> FundamentalMatrices;
-    
-typedef Sp<2> Sp2;
-typedef Sp<4> Sp4;
-typedef Sp<6> Sp6;
-typedef Sp<8> Sp8;
-
-template <int N,class vComplex_t>
-static void ProjectSUn(Lattice<iScalar<iScalar<iMatrix<vComplex_t, N> > > > &Umu)
-{
-    GaugeGroup<N,GroupName::SU>::ProjectOnSpecialGroup(Umu);
-}
-  
-template <int N,class vComplex_t>
-static void ProjectSUn(Lattice<iVector<iScalar<iMatrix<vComplex_t, N> >,Nd> > &U)
-{
-    GaugeGroup<N,GroupName::SU>::ProjectOnSpecialGroup(U);
-}
-    
-template <int N,class vComplex_t>
-static void ProjectSpn(Lattice<iScalar<iScalar<iMatrix<vComplex_t, N> > > > &Umu)
-{
-    GaugeGroup<N,GroupName::Sp>::ProjectOnSpecialGroup(Umu);
-}
-    
-template <int N,class vComplex_t>
-static void ProjectSpn(Lattice<iVector<iScalar<iMatrix<vComplex_t, N> >,Nd> > &U)
-{
-    GaugeGroup<N,GroupName::Sp>::ProjectOnSpecialGroup(U);
-}
-
-// Explicit specialisation for SU(3).
-static void ProjectSU3(Lattice<iScalar<iScalar<iMatrix<vComplexD, 3> > > > &Umu)
-{
-  GridBase *grid = Umu.Grid();
-  const int x = 0;
-  const int y = 1;
-  const int z = 2;
-  // Reunitarise
-  Umu = ProjectOnGroup(Umu);
-  autoView(Umu_v, Umu, CpuWrite);
-  thread_for(ss, grid->oSites(), {
-    auto cm = Umu_v[ss];
-    cm()()(2, x) = adj(cm()()(0, y) * cm()()(1, z) -
-                       cm()()(0, z) * cm()()(1, y));  // x= yz-zy
-    cm()()(2, y) = adj(cm()()(0, z) * cm()()(1, x) -
-                       cm()()(0, x) * cm()()(1, z));  // y= zx-xz
-    cm()()(2, z) = adj(cm()()(0, x) * cm()()(1, y) -
-                       cm()()(0, y) * cm()()(1, x));  // z= xy-yx
-    Umu_v[ss] = cm;
-  });
-}
-static void ProjectSU3(Lattice<iVector<iScalar<iMatrix<vComplexD, 3> >, Nd> > &U)
-{
-  GridBase *grid = U.Grid();
-  // Reunitarise
-  for (int mu = 0; mu < Nd; mu++) {
-    auto Umu = PeekIndex<LorentzIndex>(U, mu);
-    Umu = ProjectOnGroup(Umu);
-    ProjectSU3(Umu);
-    PokeIndex<LorentzIndex>(U, Umu, mu);
-  }
-}
-
-NAMESPACE_END(Grid);
-#endif

Grid/qcd/utils/GaugeGroupTwoIndex.h

@@ -1,371 +0,0 @@
-////////////////////////////////////////////////////////////////////////
-//
-// * Two index representation generators
-//
-// * Normalisation for the fundamental generators:
-//   trace ta tb = 1/2 delta_ab = T_F delta_ab
-//   T_F = 1/2  for SU(N) groups
-//
-//
-//   base for NxN two index (anti-symmetric) matrices
-//   normalized to 1 (d_ij is the kroenecker delta)
-//
-//   (e^(ij)_{kl} = 1 / sqrt(2) (d_ik d_jl +/- d_jk d_il)
-//
-//   Then the generators are written as
-//
-//   (iT_a)^(ij)(lk) = i * ( tr[e^(ij)^dag e^(lk) T^trasp_a] +
-//   tr[e^(lk)e^(ij)^dag T_a] )  //
-//
-//
-////////////////////////////////////////////////////////////////////////
-
-// Authors: David Preti, Guido Cossu
-
-#ifndef QCD_UTIL_GAUGEGROUPTWOINDEX_H
-#define QCD_UTIL_GAUGEGROUPTWOINDEX_H
-
-NAMESPACE_BEGIN(Grid);
-
-enum TwoIndexSymmetry { Symmetric = 1, AntiSymmetric = -1 };
-
-constexpr inline Real delta(int a, int b) { return (a == b) ? 1.0 : 0.0; }
-
-namespace detail {
-
-template <class cplx, int nc, TwoIndexSymmetry S>
-struct baseOffDiagonalSpHelper;
-
-template <class cplx, int nc>
-struct baseOffDiagonalSpHelper<cplx, nc, AntiSymmetric> {
-  static const int ngroup = nc / 2;
-  static void baseOffDiagonalSp(int i, int j, iScalar<iScalar<iMatrix<cplx, nc> > > &eij) {
-    eij = Zero();
-    RealD tmp;
-
-    if ((i == ngroup + j) && (1 <= j) && (j < ngroup)) {
-      for (int k = 0; k < j+1; k++) {
-        if (k < j) {
-          tmp = 1 / sqrt(j * (j + 1));
-          eij()()(k, k + ngroup) = tmp;
-          eij()()(k + ngroup, k) = -tmp;
-        }
-        if (k == j) {
-          tmp = -j / sqrt(j * (j + 1));
-          eij()()(k, k + ngroup) = tmp;
-          eij()()(k + ngroup, k) = -tmp;
-        }
-      }
-
-    }
-
-    else if (i != ngroup + j) {
-      for (int k = 0; k < nc; k++)
-        for (int l = 0; l < nc; l++) {
-          eij()()(l, k) =
-              delta(i, k) * delta(j, l) - delta(j, k) * delta(i, l);
-        }
-    }
-    RealD nrm = 1. / std::sqrt(2.0);
-    eij = eij * nrm;
-  }
-};
-
-template <class cplx, int nc>
-struct baseOffDiagonalSpHelper<cplx, nc, Symmetric> {
-  static void baseOffDiagonalSp(int i, int j, iScalar<iScalar<iMatrix<cplx, nc> > > &eij) {
-    eij = Zero();
-    for (int k = 0; k < nc; k++)
-      for (int l = 0; l < nc; l++)
-        eij()()(l, k) =
-            delta(i, k) * delta(j, l) + delta(j, k) * delta(i, l);
-
-    RealD nrm = 1. / std::sqrt(2.0);
-    eij = eij * nrm;
-  }
-};
-
-}   // closing detail namespace
-
-template <int ncolour, TwoIndexSymmetry S, class group_name>
-class GaugeGroupTwoIndex : public GaugeGroup<ncolour, group_name> {
- public:
-  // The chosen convention is that we are taking ncolour to be N in SU<N> but 2N
-  // in Sp(2N). ngroup is equal to N for SU but 2N/2 = N for Sp(2N).
-  static_assert(std::is_same<group_name, GroupName::SU>::value or
-                    std::is_same<group_name, GroupName::Sp>::value,
-                "ngroup is only implemented for SU and Sp currently.");
-  static const int ngroup =
-      std::is_same<group_name, GroupName::SU>::value ? ncolour : ncolour / 2;
-  static const int Dimension =
-      (ncolour * (ncolour + S) / 2) + (std::is_same<group_name, GroupName::Sp>::value ? (S - 1) / 2 : 0);
-  static const int DimensionAS =
-      (ncolour * (ncolour - 1) / 2) + (std::is_same<group_name, GroupName::Sp>::value ? (- 1) : 0);
-  static const int DimensionS =
-      ncolour * (ncolour + 1) / 2;
-  static const int NumGenerators =
-      GaugeGroup<ncolour, group_name>::AlgebraDimension;
-
-  template <typename vtype>
-  using iGroupTwoIndexMatrix = iScalar<iScalar<iMatrix<vtype, Dimension> > >;
-
-  typedef iGroupTwoIndexMatrix<Complex> TIMatrix;
-  typedef iGroupTwoIndexMatrix<ComplexF> TIMatrixF;
-  typedef iGroupTwoIndexMatrix<ComplexD> TIMatrixD;
-
-  typedef iGroupTwoIndexMatrix<vComplex> vTIMatrix;
-  typedef iGroupTwoIndexMatrix<vComplexF> vTIMatrixF;
-  typedef iGroupTwoIndexMatrix<vComplexD> vTIMatrixD;
-
-  typedef Lattice<vTIMatrix> LatticeTwoIndexMatrix;
-  typedef Lattice<vTIMatrixF> LatticeTwoIndexMatrixF;
-  typedef Lattice<vTIMatrixD> LatticeTwoIndexMatrixD;
-
-  typedef Lattice<iVector<iScalar<iMatrix<vComplex, Dimension> >, Nd> >
-      LatticeTwoIndexField;
-  typedef Lattice<iVector<iScalar<iMatrix<vComplexF, Dimension> >, Nd> >
-      LatticeTwoIndexFieldF;
-  typedef Lattice<iVector<iScalar<iMatrix<vComplexD, Dimension> >, Nd> >
-      LatticeTwoIndexFieldD;
-
-  template <typename vtype>
-  using iGroupMatrix = iScalar<iScalar<iMatrix<vtype, ncolour> > >;
-
-  typedef iGroupMatrix<Complex> Matrix;
-  typedef iGroupMatrix<ComplexF> MatrixF;
-  typedef iGroupMatrix<ComplexD> MatrixD;
-    
-private:
-  template <class cplx>
-  static void baseDiagonal(int Index, iGroupMatrix<cplx> &eij) {
-    eij = Zero();
-    eij()()(Index - ncolour * (ncolour - 1) / 2,
-            Index - ncolour * (ncolour - 1) / 2) = 1.0;
-  }
-    
-  template <class cplx>
-  static void baseOffDiagonal(int i, int j, iGroupMatrix<cplx> &eij, GroupName::SU) {
-    eij = Zero();
-    for (int k = 0; k < ncolour; k++)
-      for (int l = 0; l < ncolour; l++)
-        eij()()(l, k) =
-            delta(i, k) * delta(j, l) + S * delta(j, k) * delta(i, l);
-
-    RealD nrm = 1. / std::sqrt(2.0);
-    eij = eij * nrm;
-  }
-    
-  template <class cplx>
-  static void baseOffDiagonal(int i, int j, iGroupMatrix<cplx> &eij, GroupName::Sp) {
-    detail::baseOffDiagonalSpHelper<cplx, ncolour, S>::baseOffDiagonalSp(i, j, eij);
-  }
-
-public:
-    
-  template <class cplx>
-  static void base(int Index, iGroupMatrix<cplx> &eij) {
-  // returns (e)^(ij)_{kl} necessary for change of base U_F -> U_R
-    assert(Index < Dimension);
-    eij = Zero();
-  // for the linearisation of the 2 indexes
-    static int a[ncolour * (ncolour - 1) / 2][2];  // store the a <-> i,j
-    static bool filled = false;
-    if (!filled) {
-      int counter = 0;
-      for (int i = 1; i < ncolour; i++) {
-      for (int j = 0; j < i; j++) {
-        if (std::is_same<group_name, GroupName::Sp>::value)
-          {
-            if (j==0 && i==ngroup+j && S==-1) {
-            //std::cout << "skipping" << std::endl; // for Sp2n this vanishes identically.
-              j = j+1;
-            }
-          }
-          a[counter][0] = i;
-          a[counter][1] = j;
-          counter++;
-          }
-      }
-      filled = true;
-    }
-    if (Index < ncolour*ncolour - DimensionS)
-    {
-      baseOffDiagonal(a[Index][0], a[Index][1], eij, group_name());
-    } else {
-      baseDiagonal(Index, eij);
-    }
-  }
-    
-  static void printBase(void) {
-    for (int gen = 0; gen < Dimension; gen++) {
-      Matrix tmp;
-      base(gen, tmp);
-      std::cout << GridLogMessage << "Nc = " << ncolour << " t_" << gen
-                << std::endl;
-      std::cout << GridLogMessage << tmp << std::endl;
-    }
-  }
-
-  template <class cplx>
-  static void generator(int Index, iGroupTwoIndexMatrix<cplx> &i2indTa) {
-    Vector<iGroupMatrix<cplx> > ta(NumGenerators);
-    Vector<iGroupMatrix<cplx> > eij(Dimension);
-    iGroupMatrix<cplx> tmp;
-
-    for (int a = 0; a < NumGenerators; a++)
-      GaugeGroup<ncolour, group_name>::generator(a, ta[a]);
-
-    for (int a = 0; a < Dimension; a++) base(a, eij[a]);
-
-    for (int a = 0; a < Dimension; a++) {
-      tmp = transpose(eij[a]*ta[Index]) + transpose(eij[a]) * ta[Index];
-      for (int b = 0; b < Dimension; b++) {
-        Complex iTr = TensorRemove(timesI(trace(tmp * eij[b])));
-        i2indTa()()(a, b) = iTr;
-      }
-    }
-  }
-
-  static void printGenerators(void) {
-    for (int gen = 0; gen < NumGenerators; gen++) {
-      TIMatrix i2indTa;
-      generator(gen, i2indTa);
-      std::cout << GridLogMessage << "Nc = " << ncolour << " t_" << gen
-                << std::endl;
-      std::cout << GridLogMessage << i2indTa << std::endl;
-    }
-  }
-
-  static void testGenerators(void) {
-    TIMatrix i2indTa, i2indTb;
-    std::cout << GridLogMessage << "2IndexRep - Checking if traceless"
-              << std::endl;
-    for (int a = 0; a < NumGenerators; a++) {
-      generator(a, i2indTa);
-      std::cout << GridLogMessage << a << std::endl;
-      assert(norm2(trace(i2indTa)) < 1.0e-6);
-    }
-    std::cout << GridLogMessage << std::endl;
-
-    std::cout << GridLogMessage << "2IndexRep - Checking if antihermitean"
-              << std::endl;
-    for (int a = 0; a < NumGenerators; a++) {
-      generator(a, i2indTa);
-      std::cout << GridLogMessage << a << std::endl;
-      assert(norm2(adj(i2indTa) + i2indTa) < 1.0e-6);
-    }
-
-    std::cout << GridLogMessage << std::endl;
-    std::cout << GridLogMessage
-              << "2IndexRep - Checking Tr[Ta*Tb]=delta(a,b)*(N +- 2)/2"
-              << std::endl;
-    for (int a = 0; a < NumGenerators; a++) {
-      for (int b = 0; b < NumGenerators; b++) {
-        generator(a, i2indTa);
-        generator(b, i2indTb);
-
-        // generator returns iTa, so we need a minus sign here
-        Complex Tr = -TensorRemove(trace(i2indTa * i2indTb));
-        std::cout << GridLogMessage << "a=" << a << "b=" << b << "Tr=" << Tr
-                  << std::endl;
-        if (a == b) {
-          assert(real(Tr) - ((ncolour + S * 2) * 0.5) < 1e-8);
-        } else {
-          assert(real(Tr) < 1e-8);
-        }
-        assert(imag(Tr) < 1e-8);
-      }
-    }
-    std::cout << GridLogMessage << std::endl;
-  }
-
-  static void TwoIndexLieAlgebraMatrix(
-      const typename GaugeGroup<ncolour, group_name>::LatticeAlgebraVector &h,
-      LatticeTwoIndexMatrix &out, Real scale = 1.0) {
-    conformable(h, out);
-    GridBase *grid = out.Grid();
-    LatticeTwoIndexMatrix la(grid);
-    TIMatrix i2indTa;
-
-    out = Zero();
-    for (int a = 0; a < NumGenerators; a++) {
-      generator(a, i2indTa);
-      la = peekColour(h, a) * i2indTa;
-      out += la;
-    }
-    out *= scale;
-  }
-
-  // Projects the algebra components
-  // of a lattice matrix ( of dimension ncol*ncol -1 )
-  static void projectOnAlgebra(
-      typename GaugeGroup<ncolour, group_name>::LatticeAlgebraVector &h_out,
-      const LatticeTwoIndexMatrix &in, Real scale = 1.0) {
-    conformable(h_out, in);
-    h_out = Zero();
-    TIMatrix i2indTa;
-    Real coefficient = -2.0 / (ncolour + 2 * S) * scale;
-    // 2/(Nc +/- 2) for the normalization of the trace in the two index rep
-    for (int a = 0; a < NumGenerators; a++) {
-      generator(a, i2indTa);
-      pokeColour(h_out, real(trace(i2indTa * in)) * coefficient, a);
-    }
-  }
-
-  // a projector that keeps the generators stored to avoid the overhead of
-  // recomputing them
-  static void projector(
-      typename GaugeGroup<ncolour, group_name>::LatticeAlgebraVector &h_out,
-      const LatticeTwoIndexMatrix &in, Real scale = 1.0) {
-    conformable(h_out, in);
-    // to store the generators
-    static std::vector<TIMatrix> i2indTa(NumGenerators);
-    h_out = Zero();
-    static bool precalculated = false;
-    if (!precalculated) {
-      precalculated = true;
-      for (int a = 0; a < NumGenerators; a++) generator(a, i2indTa[a]);
-    }
-
-    Real coefficient =
-        -2.0 / (ncolour + 2 * S) * scale;  // 2/(Nc +/- 2) for the normalization
-    // of the trace in the two index rep
-
-    for (int a = 0; a < NumGenerators; a++) {
-      auto tmp = real(trace(i2indTa[a] * in)) * coefficient;
-      pokeColour(h_out, tmp, a);
-    }
-  }
-};
-
-template <int ncolour, TwoIndexSymmetry S>
-using SU_TwoIndex = GaugeGroupTwoIndex<ncolour, S, GroupName::SU>;
-
-// Some useful type names
-typedef SU_TwoIndex<Nc, Symmetric> TwoIndexSymmMatrices;
-typedef SU_TwoIndex<Nc, AntiSymmetric> TwoIndexAntiSymmMatrices;
-
-typedef SU_TwoIndex<2, Symmetric> SU2TwoIndexSymm;
-typedef SU_TwoIndex<3, Symmetric> SU3TwoIndexSymm;
-typedef SU_TwoIndex<4, Symmetric> SU4TwoIndexSymm;
-typedef SU_TwoIndex<5, Symmetric> SU5TwoIndexSymm;
-
-typedef SU_TwoIndex<2, AntiSymmetric> SU2TwoIndexAntiSymm;
-typedef SU_TwoIndex<3, AntiSymmetric> SU3TwoIndexAntiSymm;
-typedef SU_TwoIndex<4, AntiSymmetric> SU4TwoIndexAntiSymm;
-typedef SU_TwoIndex<5, AntiSymmetric> SU5TwoIndexAntiSymm;
-
-template <int ncolour, TwoIndexSymmetry S>
-using Sp_TwoIndex = GaugeGroupTwoIndex<ncolour, S, GroupName::Sp>;
-
-typedef Sp_TwoIndex<Nc, Symmetric> SpTwoIndexSymmMatrices;
-typedef Sp_TwoIndex<Nc, AntiSymmetric> SpTwoIndexAntiSymmMatrices;
-
-typedef Sp_TwoIndex<2, Symmetric> Sp2TwoIndexSymm;
-typedef Sp_TwoIndex<4, Symmetric> Sp4TwoIndexSymm;
-
-typedef Sp_TwoIndex<4, AntiSymmetric> Sp4TwoIndexAntiSymm;
-
-NAMESPACE_END(Grid);
-
-#endif

Grid/qcd/utils/Metric.h

@@ -7,7 +7,6 @@ Source file: ./lib/qcd/hmc/integrators/Integrator.h
 Copyright (C) 2015
 
 Author: Guido Cossu <guido.cossu@ed.ac.uk>
-Author: Chulwoo Jung <chulwoo@bnl.gov>
 
 This program is free software; you can redistribute it and/or modify
 it under the terms of the GNU General Public License as published by
@@ -34,12 +33,7 @@ NAMESPACE_BEGIN(Grid);
 
 template <typename Field> 
 class Metric{
-protected:
-  int triv;
 public:
-  Metric(){this->triv=1;}
-  int Trivial(){ return triv;}
-//printf("Metric::Trivial=%d\n",triv); ;
   virtual void ImportGauge(const Field&)   = 0;
   virtual void M(const Field&, Field&)     = 0;
   virtual void Minv(const Field&, Field&)  = 0;
@@ -47,8 +41,6 @@ public:
   virtual void MInvSquareRoot(Field&) = 0;
   virtual void MDeriv(const Field&, Field&) = 0;
   virtual void MDeriv(const Field&, const Field&, Field&) = 0;
-  virtual void MinvDeriv(const Field&, Field&) = 0;
-//  virtual void MinvDeriv(const Field&, const Field&, Field&) = 0;
 };
 
 
@@ -56,36 +48,23 @@ public:
 template <typename Field>
 class TrivialMetric : public Metric<Field>{
 public:
-//  TrivialMetric(){this->triv=1;printf("TrivialMetric::triv=%d\n",this->Trivial());}
   virtual void ImportGauge(const Field&){};
   virtual void M(const Field& in, Field& out){
-//    printf("M:norm=%0.15e\n",norm2(in));
-    std::cout << GridLogIntegrator << " M:norm(in)= " << std::sqrt(norm2(in)) << std::endl;
     out = in;
   }
   virtual void Minv(const Field& in, Field& out){
-    std::cout << GridLogIntegrator << " Minv:norm(in)= " << std::sqrt(norm2(in)) << std::endl;
     out = in;
   }
   virtual void MSquareRoot(Field& P){
-    std::cout << GridLogIntegrator << " MSquareRoot:norm(P)= " << std::sqrt(norm2(P)) << std::endl;
     // do nothing
   }
   virtual void MInvSquareRoot(Field& P){
-    std::cout << GridLogIntegrator << " MInvSquareRoot:norm(P)= " << std::sqrt(norm2(P)) << std::endl;
     // do nothing
   }
   virtual void MDeriv(const Field& in, Field& out){
-    std::cout << GridLogIntegrator << " MDeriv:norm(in)= " << std::sqrt(norm2(in)) << std::endl;
-    out = Zero();
-  }
-  virtual void MinvDeriv(const Field& in, Field& out){
-    std::cout << GridLogIntegrator << " MinvDeriv:norm(in)= " << std::sqrt(norm2(in)) << std::endl;
     out = Zero();
   }
   virtual void MDeriv(const Field& left, const Field& right, Field& out){
-    std::cout << GridLogIntegrator << " MDeriv:norm(left)= " << std::sqrt(norm2(left)) << std::endl;
-    std::cout << GridLogIntegrator << " MDeriv:norm(right)= " << std::sqrt(norm2(right)) << std::endl;
     out = Zero();
   }
 
@@ -122,7 +101,6 @@ public:
     // Generate gaussian momenta
     Implementation::generate_momenta(Mom, sRNG, pRNG);
     // Modify the distribution with the metric
-//    if(M.Trivial()) return;
     M.MSquareRoot(Mom);
 
     if (1) {
@@ -139,12 +117,11 @@ public:
 
   // Correct
   RealD MomentaAction(){
-    static RealD Saux=0.,Smom=0.;
     MomentaField inv(Mom.Grid());
     inv = Zero();
     M.Minv(Mom, inv);
-    LatticeComplex Hloc(Mom.Grid()); Hloc = Zero();
+    LatticeComplex Hloc(Mom.Grid());
-    LatticeComplex Hloc2(Mom.Grid()); Hloc2 = Zero();
+    Hloc = Zero();
     for (int mu = 0; mu < Nd; mu++) {
       // This is not very general
       // hide in the metric
@@ -152,15 +129,8 @@ public:
       auto inv_mu = PeekIndex<LorentzIndex>(inv, mu);
       Hloc += trace(Mom_mu * inv_mu);
     }
-    auto Htmp1 = TensorRemove(sum(Hloc));
-    std::cout << GridLogMessage << "S:dSmom = " << Htmp1.real()-Smom << "\n";
-    Smom=Htmp1.real()/HMC_MOMENTUM_DENOMINATOR;
 
-
+    if (1) {
-    
-
-//    if(!M.Trivial()) 
-    {
       // Auxiliary Fields
       // hide in the metric
       M.M(AuxMom, inv);
@@ -170,18 +140,13 @@ public:
         auto inv_mu = PeekIndex<LorentzIndex>(inv, mu);
         auto am_mu = PeekIndex<LorentzIndex>(AuxMom, mu);
         auto af_mu = PeekIndex<LorentzIndex>(AuxField, mu);
-        Hloc += trace(am_mu * inv_mu);
+        Hloc += trace(am_mu * inv_mu);// p M p
-        Hloc2 += trace(af_mu * af_mu);
+        Hloc += trace(af_mu * af_mu);
       }
     }
-    auto Htmp2 = TensorRemove(sum(Hloc))-Htmp1;
-    std::cout << GridLogMessage << "S:dSaux = " << Htmp2.real()-Saux << "\n";
-    Saux=Htmp2.real();
 
-    auto Hsum = TensorRemove(sum(Hloc))/HMC_MOMENTUM_DENOMINATOR;
+    auto Hsum = TensorRemove(sum(Hloc));
-    auto Hsum2 = TensorRemove(sum(Hloc2));
+    return Hsum.real();
-    std::cout << GridLogIntegrator << "MomentaAction: " <<  Hsum.real()+Hsum2.real() << std::endl;
-    return Hsum.real()+Hsum2.real();
   }
 
   // Correct
@@ -192,17 +157,15 @@ public:
     MomentaField MDer(in.Grid());
     MomentaField X(in.Grid());
     X = Zero();
-    M.MinvDeriv(in, MDer);  // MDer = U * dS/dU
+    M.Minv(in, X);  // X = G in
-    der = -1.0* Implementation::projectForce(MDer);  // Ta if gauge fields
+    M.MDeriv(X, MDer);  // MDer = U * dS/dU
-//    std::cout << GridLogIntegrator << " DerivativeU: norm(in)= " << std::sqrt(norm2(in)) << std::endl;
+    der = Implementation::projectForce(MDer);  // Ta if gauge fields
-//    std::cout << GridLogIntegrator << " DerivativeU: norm(der)= " << std::sqrt(norm2(der)) << std::endl;
     
   }
 
   void AuxiliaryFieldsDerivative(MomentaField& der){
     der = Zero();
-//    if(!M.Trivial()) 
+    if (1){
-    {
       // Auxiliary fields
       MomentaField der_temp(der.Grid());
       MomentaField X(der.Grid());
@@ -210,7 +173,6 @@ public:
       //M.M(AuxMom, X); // X = M Aux
       // Two derivative terms
       // the Mderiv need separation of left and right terms
-    std::cout << GridLogIntegrator << " AuxiliaryFieldsDerivative:norm(AuxMom)= " << std::sqrt(norm2(AuxMom)) << std::endl;
       M.MDeriv(AuxMom, der); 
 
 
@@ -218,7 +180,6 @@ public:
       //M.MDeriv(X, AuxMom, der_temp); der += der_temp;
 
       der = -1.0*Implementation::projectForce(der);
-      std::cout << GridLogIntegrator << " AuxiliaryFieldsDerivative:norm(der)= " << std::sqrt(norm2(der)) << std::endl;
     }
   }
 
@@ -228,28 +189,22 @@ public:
     // is the projection necessary here?
     // no for fields in the algebra
     der = Implementation::projectForce(der); 
-    std::cout << GridLogIntegrator << " DerivativeP:norm(der)= " << std::sqrt(norm2(der)) << std::endl;
   }
 
   void update_auxiliary_momenta(RealD ep){
-      std::cout << GridLogIntegrator << "AuxMom update_auxiliary_fields: " << std::sqrt(norm2(AuxMom)) << std::endl;
+    if(1){
-      std::cout << GridLogIntegrator << "AuxField update_auxiliary_fields: " << std::sqrt(norm2(AuxField)) << std::endl;
+      AuxMom -= ep * AuxField;
-    {
-      AuxMom -= ep * AuxField * HMC_MOMENTUM_DENOMINATOR;
-      std::cout << GridLogIntegrator << "AuxMom update_auxiliary_fields: " << std::sqrt(norm2(AuxMom)) << std::endl;
     }
   }
 
   void update_auxiliary_fields(RealD ep){
-//    if(!M.Trivial()) 
+    if (1) {
-    {
       MomentaField tmp(AuxMom.Grid());
       MomentaField tmp2(AuxMom.Grid());
       M.M(AuxMom, tmp);
       // M.M(tmp, tmp2);
       AuxField += ep * tmp;  // M^2 AuxMom
       // factor of 2?
-      std::cout << GridLogIntegrator << "AuxField update_auxiliary_fields: " << std::sqrt(norm2(AuxField)) << std::endl;
     }
   }
 

Grid/qcd/utils/SUn.h

@@ -0,0 +1,892 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/utils/SUn.h
+
+Copyright (C) 2015
+
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: neo <cossu@post.kek.jp>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+			   /*  END LEGAL */
+#ifndef QCD_UTIL_SUN_H
+#define QCD_UTIL_SUN_H
+
+NAMESPACE_BEGIN(Grid);
+
+template <int ncolour>
+class SU {
+public:
+  static const int Dimension = ncolour;
+  static const int AdjointDimension = ncolour * ncolour - 1;
+  static int su2subgroups(void) { return (ncolour * (ncolour - 1)) / 2; }
+
+  template <typename vtype>
+  using iSUnMatrix = iScalar<iScalar<iMatrix<vtype, ncolour> > >;
+  template <typename vtype>
+  using iSU2Matrix = iScalar<iScalar<iMatrix<vtype, 2> > >;
+  template <typename vtype>
+  using iSUnAlgebraVector =
+    iScalar<iScalar<iVector<vtype, AdjointDimension> > >;
+
+  //////////////////////////////////////////////////////////////////////////////////////////////////
+  // Types can be accessed as SU<2>::Matrix , SU<2>::vSUnMatrix,
+  // SU<2>::LatticeMatrix etc...
+  //////////////////////////////////////////////////////////////////////////////////////////////////
+  typedef iSUnMatrix<Complex> Matrix;
+  typedef iSUnMatrix<ComplexF> MatrixF;
+  typedef iSUnMatrix<ComplexD> MatrixD;
+
+  typedef iSUnMatrix<vComplex> vMatrix;
+  typedef iSUnMatrix<vComplexF> vMatrixF;
+  typedef iSUnMatrix<vComplexD> vMatrixD;
+
+  // For the projectors to the algebra
+  // these should be real...
+  // keeping complex for consistency with the SIMD vector types
+  typedef iSUnAlgebraVector<Complex> AlgebraVector;
+  typedef iSUnAlgebraVector<ComplexF> AlgebraVectorF;
+  typedef iSUnAlgebraVector<ComplexD> AlgebraVectorD;
+
+  typedef iSUnAlgebraVector<vComplex> vAlgebraVector;
+  typedef iSUnAlgebraVector<vComplexF> vAlgebraVectorF;
+  typedef iSUnAlgebraVector<vComplexD> vAlgebraVectorD;
+
+  typedef Lattice<vMatrix> LatticeMatrix;
+  typedef Lattice<vMatrixF> LatticeMatrixF;
+  typedef Lattice<vMatrixD> LatticeMatrixD;
+
+  typedef Lattice<vAlgebraVector> LatticeAlgebraVector;
+  typedef Lattice<vAlgebraVectorF> LatticeAlgebraVectorF;
+  typedef Lattice<vAlgebraVectorD> LatticeAlgebraVectorD;
+
+  typedef iSU2Matrix<Complex> SU2Matrix;
+  typedef iSU2Matrix<ComplexF> SU2MatrixF;
+  typedef iSU2Matrix<ComplexD> SU2MatrixD;
+
+  typedef iSU2Matrix<vComplex> vSU2Matrix;
+  typedef iSU2Matrix<vComplexF> vSU2MatrixF;
+  typedef iSU2Matrix<vComplexD> vSU2MatrixD;
+
+  typedef Lattice<vSU2Matrix> LatticeSU2Matrix;
+  typedef Lattice<vSU2MatrixF> LatticeSU2MatrixF;
+  typedef Lattice<vSU2MatrixD> LatticeSU2MatrixD;
+
+  ////////////////////////////////////////////////////////////////////////
+  // There are N^2-1 generators for SU(N).
+  //
+  // We take a traceless hermitian generator basis as follows
+  //
+  // * Normalisation: trace ta tb = 1/2 delta_ab = T_F delta_ab
+  //   T_F = 1/2  for SU(N) groups
+  //
+  // * Off diagonal
+  //    - pairs of rows i1,i2 behaving like pauli matrices signma_x, sigma_y
+  //
+  //    - there are (Nc-1-i1) slots for i2 on each row [ x  0  x ]
+  //      direct count off each row
+  //
+  //    - Sum of all pairs is Nc(Nc-1)/2: proof arithmetic series
+  //
+  //      (Nc-1) + (Nc-2)+...  1      ==> Nc*(Nc-1)/2
+  //      1+ 2+          +   + Nc-1
+  //
+  //    - There are 2 x Nc (Nc-1)/ 2 of these = Nc^2 - Nc
+  //
+  //    - We enumerate the row-col pairs.
+  //    - for each row col pair there is a (sigma_x) and a (sigma_y) like
+  //    generator
+  //
+  //
+  //   t^a_ij = { in 0.. Nc(Nc-1)/2 -1} =>  1/2(delta_{i,i1} delta_{j,i2} +
+  //   delta_{i,i1} delta_{j,i2})
+  //   t^a_ij = { in Nc(Nc-1)/2 ... Nc(Nc-1) - 1} =>  i/2( delta_{i,i1}
+  //   delta_{j,i2} - i delta_{i,i1} delta_{j,i2})
+  //
+  // * Diagonal; must be traceless and normalised
+  //   - Sequence is
+  //   N  (1,-1,0,0...)
+  //   N  (1, 1,-2,0...)
+  //   N  (1, 1, 1,-3,0...)
+  //   N  (1, 1, 1, 1,-4,0...)
+  //
+  //   where 1/2 = N^2 (1+.. m^2)etc.... for the m-th diagonal generator
+  //   NB this gives the famous SU3 result for su2 index 8
+  //
+  //   N= sqrt(1/2 . 1/6 ) = 1/2 . 1/sqrt(3)
+  //
+  //   ( 1      )
+  //   (    1   ) / sqrt(3) /2  = 1/2 lambda_8
+  //   (      -2)
+  //
+  ////////////////////////////////////////////////////////////////////////
+  template <class cplx>
+  static void generator(int lieIndex, iSUnMatrix<cplx> &ta) {
+    // map lie index to which type of generator
+    int diagIndex;
+    int su2Index;
+    int sigxy;
+    int NNm1 = ncolour * (ncolour - 1);
+    if (lieIndex >= NNm1) {
+      diagIndex = lieIndex - NNm1;
+      generatorDiagonal(diagIndex, ta);
+      return;
+    }
+    sigxy = lieIndex & 0x1;  // even or odd
+    su2Index = lieIndex >> 1;
+    if (sigxy)
+      generatorSigmaY(su2Index, ta);
+    else
+      generatorSigmaX(su2Index, ta);
+  }
+  
+  template <class cplx>
+  static void generatorSigmaY(int su2Index, iSUnMatrix<cplx> &ta) {
+    ta = Zero();
+    int i1, i2;
+    su2SubGroupIndex(i1, i2, su2Index);
+    ta()()(i1, i2) = 1.0;
+    ta()()(i2, i1) = 1.0;
+    ta = ta * 0.5;
+  }
+  
+  template <class cplx>
+  static void generatorSigmaX(int su2Index, iSUnMatrix<cplx> &ta) {
+    ta = Zero();
+    cplx i(0.0, 1.0);
+    int i1, i2;
+    su2SubGroupIndex(i1, i2, su2Index);
+    ta()()(i1, i2) = i;
+    ta()()(i2, i1) = -i;
+    ta = ta * 0.5;
+  }
+
+  template <class cplx>
+  static void generatorDiagonal(int diagIndex, iSUnMatrix<cplx> &ta) {
+    // diag ({1, 1, ..., 1}(k-times), -k, 0, 0, ...)
+    ta = Zero();
+    int k = diagIndex + 1;                  // diagIndex starts from 0
+    for (int i = 0; i <= diagIndex; i++) {  // k iterations
+      ta()()(i, i) = 1.0;
+    }
+    ta()()(k, k) = -k;  // indexing starts from 0
+    RealD nrm = 1.0 / std::sqrt(2.0 * k * (k + 1));
+    ta = ta * nrm;
+  }
+
+
+
+  ////////////////////////////////////////////////////////////////////////
+  // Map a su2 subgroup number to the pair of rows that are non zero
+  ////////////////////////////////////////////////////////////////////////
+  static void su2SubGroupIndex(int &i1, int &i2, int su2_index) {
+    assert((su2_index >= 0) && (su2_index < (ncolour * (ncolour - 1)) / 2));
+
+    int spare = su2_index;
+    for (i1 = 0; spare >= (ncolour - 1 - i1); i1++) {
+      spare = spare - (ncolour - 1 - i1);  // remove the Nc-1-i1 terms
+    }
+    i2 = i1 + 1 + spare;
+  }
+
+  //////////////////////////////////////////////////////////////////////////////////////////
+  // Pull out a subgroup and project on to real coeffs x pauli basis
+  //////////////////////////////////////////////////////////////////////////////////////////
+  template <class vcplx>
+  static void su2Extract(Lattice<iSinglet<vcplx> > &Determinant,
+                         Lattice<iSU2Matrix<vcplx> > &subgroup,
+                         const Lattice<iSUnMatrix<vcplx> > &source,
+                         int su2_index) {
+    GridBase *grid(source.Grid());
+    conformable(subgroup, source);
+    conformable(subgroup, Determinant);
+    int i0, i1;
+    su2SubGroupIndex(i0, i1, su2_index);
+
+    autoView( subgroup_v , subgroup,AcceleratorWrite);
+    autoView( source_v   , source,AcceleratorRead);
+    autoView( Determinant_v , Determinant,AcceleratorWrite);
+    accelerator_for(ss, grid->oSites(), 1, {
+
+      subgroup_v[ss]()()(0, 0) = source_v[ss]()()(i0, i0);
+      subgroup_v[ss]()()(0, 1) = source_v[ss]()()(i0, i1);
+      subgroup_v[ss]()()(1, 0) = source_v[ss]()()(i1, i0);
+      subgroup_v[ss]()()(1, 1) = source_v[ss]()()(i1, i1);
+
+      iSU2Matrix<vcplx> Sigma = subgroup_v[ss];
+
+      Sigma = Sigma - adj(Sigma) + trace(adj(Sigma));
+
+      subgroup_v[ss] = Sigma;
+
+      // this should be purely real
+      Determinant_v[ss] =
+	Sigma()()(0, 0) * Sigma()()(1, 1) - Sigma()()(0, 1) * Sigma()()(1, 0);
+    });
+  }
+
+  //////////////////////////////////////////////////////////////////////////////////////////
+  // Set matrix to one and insert a pauli subgroup
+  //////////////////////////////////////////////////////////////////////////////////////////
+  template <class vcplx>
+  static void su2Insert(const Lattice<iSU2Matrix<vcplx> > &subgroup,
+                        Lattice<iSUnMatrix<vcplx> > &dest, int su2_index) {
+    GridBase *grid(dest.Grid());
+    conformable(subgroup, dest);
+    int i0, i1;
+    su2SubGroupIndex(i0, i1, su2_index);
+
+    dest = 1.0;  // start out with identity
+    autoView( dest_v , dest, AcceleratorWrite);
+    autoView( subgroup_v, subgroup, AcceleratorRead);
+    accelerator_for(ss, grid->oSites(),1,
+    {
+      dest_v[ss]()()(i0, i0) = subgroup_v[ss]()()(0, 0);
+      dest_v[ss]()()(i0, i1) = subgroup_v[ss]()()(0, 1);
+      dest_v[ss]()()(i1, i0) = subgroup_v[ss]()()(1, 0);
+      dest_v[ss]()()(i1, i1) = subgroup_v[ss]()()(1, 1);
+    });
+
+  }
+
+  ///////////////////////////////////////////////
+  // Generate e^{ Re Tr Staple Link} dlink
+  //
+  // *** Note Staple should be appropriate linear compbination between all
+  // staples.
+  // *** If already by beta pass coefficient 1.0.
+  // *** This routine applies the additional 1/Nc factor that comes after trace
+  // in action.
+  //
+  ///////////////////////////////////////////////
+  static void SubGroupHeatBath(GridSerialRNG &sRNG, GridParallelRNG &pRNG,
+			       RealD beta,  // coeff multiplying staple in action (with no 1/Nc)
+			       LatticeMatrix &link,
+			       const LatticeMatrix &barestaple,  // multiplied by action coeffs so th
+			       int su2_subgroup, int nheatbath, LatticeInteger &wheremask) 
+  {
+    GridBase *grid = link.Grid();
+
+    const RealD twopi = 2.0 * M_PI;
+
+    LatticeMatrix staple(grid);
+
+    staple = barestaple * (beta / ncolour);
+
+    LatticeMatrix V(grid);
+    V = link * staple;
+
+    // Subgroup manipulation in the lie algebra space
+    LatticeSU2Matrix u(grid);  // Kennedy pendleton "u" real projected normalised Sigma
+    LatticeSU2Matrix uinv(grid);
+    LatticeSU2Matrix ua(grid);  // a in pauli form
+    LatticeSU2Matrix b(grid);   // rotated matrix after hb
+
+    // Some handy constant fields
+    LatticeComplex ones(grid);
+    ones = 1.0;
+    LatticeComplex zeros(grid);
+    zeros = Zero();
+    LatticeReal rones(grid);
+    rones = 1.0;
+    LatticeReal rzeros(grid);
+    rzeros = Zero();
+    LatticeComplex udet(grid);  // determinant of real(staple)
+    LatticeInteger mask_true(grid);
+    mask_true = 1;
+    LatticeInteger mask_false(grid);
+    mask_false = 0;
+
+    /*
+      PLB 156 P393 (1985) (Kennedy and Pendleton)
+
+      Note: absorb "beta" into the def of sigma compared to KP paper; staple
+      passed to this routine has "beta" already multiplied in
+
+      Action linear in links h and of form:
+
+      beta S = beta  Sum_p (1 - 1/Nc Re Tr Plaq )
+
+      Writing Sigma = 1/Nc (beta Sigma') where sum over staples is "Sigma' "
+
+      beta S = const - beta/Nc Re Tr h Sigma'
+      = const - Re Tr h Sigma
+
+      Decompose h and Sigma into (1, sigma_j) ; h_i real, h^2=1, Sigma_i complex
+      arbitrary.
+
+      Tr h Sigma = h_i Sigma_j Tr (sigma_i sigma_j)  = h_i Sigma_j 2 delta_ij
+      Re Tr h Sigma = 2 h_j Re Sigma_j
+
+      Normalised re Sigma_j = xi u_j
+
+      With u_j a unit vector and U can be in SU(2);
+
+      Re Tr h Sigma = 2 h_j Re Sigma_j = 2 xi (h.u)
+
+      4xi^2 = Det [ Sig - Sig^dag  + 1 Tr Sigdag]
+      u   = 1/2xi [ Sig - Sig^dag  + 1 Tr Sigdag]
+
+      xi = sqrt(Det)/2;
+
+      Write a= u h in SU(2); a has pauli decomp a_j;
+
+      Note: Product b' xi is unvariant because scaling Sigma leaves
+      normalised vector "u" fixed; Can rescale Sigma so b' = 1.
+    */
+
+    ////////////////////////////////////////////////////////
+    // Real part of Pauli decomposition
+    // Note a subgroup can project to zero in cold start
+    ////////////////////////////////////////////////////////
+    su2Extract(udet, u, V, su2_subgroup);
+
+    //////////////////////////////////////////////////////
+    // Normalising this vector if possible; else identity
+    //////////////////////////////////////////////////////
+    LatticeComplex xi(grid);
+
+    LatticeSU2Matrix lident(grid);
+
+    SU2Matrix ident = Complex(1.0);
+    SU2Matrix pauli1;
+    SU<2>::generator(0, pauli1);
+    SU2Matrix pauli2;
+    SU<2>::generator(1, pauli2);
+    SU2Matrix pauli3;
+    SU<2>::generator(2, pauli3);
+    pauli1 = timesI(pauli1) * 2.0;
+    pauli2 = timesI(pauli2) * 2.0;
+    pauli3 = timesI(pauli3) * 2.0;
+
+    LatticeComplex cone(grid);
+    LatticeReal adet(grid);
+    adet = abs(toReal(udet));
+    lident = Complex(1.0);
+    cone = Complex(1.0);
+    Real machine_epsilon = 1.0e-7;
+    u = where(adet > machine_epsilon, u, lident);
+    udet = where(adet > machine_epsilon, udet, cone);
+
+    xi = 0.5 * sqrt(udet);  // 4xi^2 = Det [ Sig - Sig^dag  + 1 Tr Sigdag]
+    u = 0.5 * u *
+      pow(xi, -1.0);  //  u   = 1/2xi [ Sig - Sig^dag  + 1 Tr Sigdag]
+
+    // Debug test for sanity
+    uinv = adj(u);
+    b = u * uinv - 1.0;
+    assert(norm2(b) < 1.0e-4);
+
+    /*
+      Measure: Haar measure dh has d^4a delta(1-|a^2|)
+      In polars:
+      da = da0 r^2 sin theta dr dtheta dphi delta( 1 - r^2 -a0^2)
+      = da0 r^2 sin theta dr dtheta dphi delta( (sqrt(1-a0^) - r)(sqrt(1-a0^) +
+      r) )
+      = da0 r/2 sin theta dr dtheta dphi delta( (sqrt(1-a0^) - r) )
+
+      Action factor Q(h) dh  = e^-S[h]  dh =  e^{  xi Tr uh} dh    // beta enters
+      through xi
+      =  e^{2 xi (h.u)} dh
+      =  e^{2 xi h0u0}.e^{2 xi h1u1}.e^{2 xi
+      h2u2}.e^{2 xi h3u3} dh
+
+      Therefore for each site, take xi for that site
+      i) generate  |a0|<1 with dist
+      (1-a0^2)^0.5 e^{2 xi a0 } da0
+
+      Take alpha = 2 xi  = 2 xi [ recall 2 beta/Nc unmod staple norm]; hence 2.0/Nc
+      factor in Chroma ]
+      A. Generate two uniformly distributed pseudo-random numbers R and R', R'',
+      R''' in the unit interval;
+      B. Set X = -(ln R)/alpha, X' =-(ln R')/alpha;
+      C. Set C = cos^2(2pi R"), with R" another uniform random number in [0,1] ;
+      D. Set A = XC;
+      E. Let d  = X'+A;
+      F. If R'''^2 :> 1 - 0.5 d,  go back to A;
+      G. Set a0 = 1 - d;
+
+      Note that in step D setting B ~ X - A and using B in place of A in step E will
+      generate a second independent a 0 value.
+    */
+
+    /////////////////////////////////////////////////////////
+    // count the number of sites by picking "1"'s out of hat
+    /////////////////////////////////////////////////////////
+    Integer hit = 0;
+    LatticeReal rtmp(grid);
+    rtmp = where(wheremask, rones, rzeros);
+    RealD numSites = sum(rtmp);
+    RealD numAccepted;
+    LatticeInteger Accepted(grid);
+    Accepted = Zero();
+    LatticeInteger newlyAccepted(grid);
+
+    std::vector<LatticeReal> xr(4, grid);
+    std::vector<LatticeReal> a(4, grid);
+    LatticeReal d(grid);
+    d = Zero();
+    LatticeReal alpha(grid);
+
+    //    std::cout<<GridLogMessage<<"xi "<<xi <<std::endl;
+    xi = 2.0 *xi;
+    alpha = toReal(xi);
+
+    do {
+      // A. Generate two uniformly distributed pseudo-random numbers R and R',
+      // R'', R''' in the unit interval;
+      random(pRNG, xr[0]);
+      random(pRNG, xr[1]);
+      random(pRNG, xr[2]);
+      random(pRNG, xr[3]);
+
+      // B. Set X = - ln R/alpha, X' = -ln R'/alpha
+      xr[1] = -log(xr[1]) / alpha;
+      xr[2] = -log(xr[2]) / alpha;
+
+      // C. Set C = cos^2(2piR'')
+      xr[3] = cos(xr[3] * twopi);
+      xr[3] = xr[3] * xr[3];
+
+      LatticeReal xrsq(grid);
+
+      // D. Set A = XC;
+      // E. Let d  = X'+A;
+      xrsq = xr[2] + xr[1] * xr[3];
+
+      d = where(Accepted, d, xr[2] + xr[1] * xr[3]);
+
+      // F. If R'''^2 :> 1 - 0.5 d,  go back to A;
+      LatticeReal thresh(grid);
+      thresh = 1.0 - d * 0.5;
+      xrsq = xr[0] * xr[0];
+      LatticeInteger ione(grid);
+      ione = 1;
+      LatticeInteger izero(grid);
+      izero = Zero();
+
+      newlyAccepted = where(xrsq < thresh, ione, izero);
+      Accepted = where(newlyAccepted, newlyAccepted, Accepted);
+      Accepted = where(wheremask, Accepted, izero);
+
+      // FIXME need an iSum for integer to avoid overload on return type??
+      rtmp = where(Accepted, rones, rzeros);
+      numAccepted = sum(rtmp);
+
+      hit++;
+
+    } while ((numAccepted < numSites) && (hit < nheatbath));
+
+    // G. Set a0 = 1 - d;
+    a[0] = Zero();
+    a[0] = where(wheremask, 1.0 - d, a[0]);
+
+    //////////////////////////////////////////
+    //    ii) generate a_i uniform on two sphere radius (1-a0^2)^0.5
+    //////////////////////////////////////////
+
+    LatticeReal a123mag(grid);
+    a123mag = sqrt(abs(1.0 - a[0] * a[0]));
+
+    LatticeReal cos_theta(grid);
+    LatticeReal sin_theta(grid);
+    LatticeReal phi(grid);
+
+    random(pRNG, phi);
+    phi = phi * twopi;  // uniform in [0,2pi]
+    random(pRNG, cos_theta);
+    cos_theta = (cos_theta * 2.0) - 1.0;  // uniform in [-1,1]
+    sin_theta = sqrt(abs(1.0 - cos_theta * cos_theta));
+
+    a[1] = a123mag * sin_theta * cos(phi);
+    a[2] = a123mag * sin_theta * sin(phi);
+    a[3] = a123mag * cos_theta;
+
+    ua = toComplex(a[0]) * ident  + toComplex(a[1]) * pauli1 +
+         toComplex(a[2]) * pauli2 + toComplex(a[3]) * pauli3;
+
+    b = 1.0;
+    b = where(wheremask, uinv * ua, b);
+    su2Insert(b, V, su2_subgroup);
+
+    // mask the assignment back based on Accptance
+    link = where(Accepted, V * link, link);
+
+    //////////////////////////////
+    // Debug Checks
+    // SU2 check
+    LatticeSU2Matrix check(grid);  // rotated matrix after hb
+    u = Zero();
+    check = ua * adj(ua) - 1.0;
+    check = where(Accepted, check, u);
+    assert(norm2(check) < 1.0e-4);
+
+    check = b * adj(b) - 1.0;
+    check = where(Accepted, check, u);
+    assert(norm2(check) < 1.0e-4);
+
+    LatticeMatrix Vcheck(grid);
+    Vcheck = Zero();
+    Vcheck = where(Accepted, V * adj(V) - 1.0, Vcheck);
+    //    std::cout<<GridLogMessage << "SU3 check " <<norm2(Vcheck)<<std::endl;
+    assert(norm2(Vcheck) < 1.0e-4);
+
+    // Verify the link stays in SU(3)
+    //    std::cout<<GridLogMessage <<"Checking the modified link"<<std::endl;
+    Vcheck = link * adj(link) - 1.0;
+    assert(norm2(Vcheck) < 1.0e-4);
+    /////////////////////////////////
+  }
+
+  static void printGenerators(void) {
+    for (int gen = 0; gen < AdjointDimension; gen++) {
+      Matrix ta;
+      generator(gen, ta);
+      std::cout << GridLogMessage << "Nc = " << ncolour << " t_" << gen
+                << std::endl;
+      std::cout << GridLogMessage << ta << std::endl;
+    }
+  }
+
+
+
+  static void testGenerators(void) {
+    Matrix ta;
+    Matrix tb;
+    std::cout << GridLogMessage
+              << "Fundamental - Checking trace ta tb is 0.5 delta_ab"
+              << std::endl;
+    for (int a = 0; a < AdjointDimension; a++) {
+      for (int b = 0; b < AdjointDimension; b++) {
+        generator(a, ta);
+        generator(b, tb);
+        Complex tr = TensorRemove(trace(ta * tb));
+        std::cout << GridLogMessage << "(" << a << "," << b << ") =  " << tr
+                  << std::endl;
+        if (a == b) assert(abs(tr - Complex(0.5)) < 1.0e-6);
+        if (a != b) assert(abs(tr) < 1.0e-6);
+      }
+      std::cout << GridLogMessage << std::endl;
+    }
+    std::cout << GridLogMessage << "Fundamental - Checking if hermitian"
+              << std::endl;
+    for (int a = 0; a < AdjointDimension; a++) {
+      generator(a, ta);
+      std::cout << GridLogMessage << a << std::endl;
+      assert(norm2(ta - adj(ta)) < 1.0e-6);
+    }
+    std::cout << GridLogMessage << std::endl;
+
+    std::cout << GridLogMessage << "Fundamental - Checking if traceless"
+              << std::endl;
+    for (int a = 0; a < AdjointDimension; a++) {
+      generator(a, ta);
+      Complex tr = TensorRemove(trace(ta));
+      std::cout << GridLogMessage << a << " " << std::endl;
+      assert(abs(tr) < 1.0e-6);
+    }
+    std::cout << GridLogMessage << std::endl;
+  }
+
+  // reunitarise??
+  template <typename LatticeMatrixType>
+  static void LieRandomize(GridParallelRNG &pRNG, LatticeMatrixType &out, double scale = 1.0) 
+  {
+    GridBase *grid = out.Grid();
+
+    typedef typename LatticeMatrixType::vector_type vector_type;
+
+    typedef iSinglet<vector_type> vTComplexType;
+
+    typedef Lattice<vTComplexType> LatticeComplexType;
+    typedef typename GridTypeMapper<typename LatticeMatrixType::vector_object>::scalar_object MatrixType;
+
+    LatticeComplexType ca(grid);
+    LatticeMatrixType lie(grid);
+    LatticeMatrixType la(grid);
+    ComplexD ci(0.0, scale);
+    //    ComplexD cone(1.0, 0.0);
+    MatrixType ta;
+
+    lie = Zero();
+
+    for (int a = 0; a < AdjointDimension; a++) {
+      random(pRNG, ca);
+
+      ca = (ca + conjugate(ca)) * 0.5;
+      ca = ca - 0.5;
+
+      generator(a, ta);
+
+      la = ci * ca * ta;
+
+      lie = lie + la;  // e^{i la ta}
+
+    }
+    taExp(lie, out);
+  }
+
+  static void GaussianFundamentalLieAlgebraMatrix(GridParallelRNG &pRNG,
+                                                  LatticeMatrix &out,
+                                                  Real scale = 1.0) {
+    GridBase *grid = out.Grid();
+    LatticeReal ca(grid);
+    LatticeMatrix la(grid);
+    Complex ci(0.0, scale);
+    Matrix ta;
+
+    out = Zero();
+    for (int a = 0; a < AdjointDimension; a++) {
+      gaussian(pRNG, ca);
+      generator(a, ta);
+      la = toComplex(ca) * ta;
+      out += la;
+    }
+    out *= ci;
+  }
+
+  static void FundamentalLieAlgebraMatrix(const LatticeAlgebraVector &h,
+                                          LatticeMatrix &out,
+                                          Real scale = 1.0) {
+    conformable(h, out);
+    GridBase *grid = out.Grid();
+    LatticeMatrix la(grid);
+    Matrix ta;
+
+    out = Zero();
+    for (int a = 0; a < AdjointDimension; a++) {
+      generator(a, ta);
+      la = peekColour(h, a) * timesI(ta) * scale;
+      out += la;
+    }
+  }
+/*
+ * Fundamental rep gauge xform
+ */
+  template<typename Fundamental,typename GaugeMat>
+  static void GaugeTransformFundamental( Fundamental &ferm, GaugeMat &g){
+    GridBase *grid = ferm._grid;
+    conformable(grid,g._grid);
+    ferm = g*ferm;
+  }
+/*
+ * Adjoint rep gauge xform
+ */
+
+  template<typename Gimpl>
+  static void GaugeTransform(typename Gimpl::GaugeField &Umu, typename Gimpl::GaugeLinkField &g){
+    GridBase *grid = Umu.Grid();
+    conformable(grid,g.Grid());
+
+    typename Gimpl::GaugeLinkField U(grid);
+    typename Gimpl::GaugeLinkField ag(grid); ag = adj(g);
+
+    for(int mu=0;mu<Nd;mu++){
+      U= PeekIndex<LorentzIndex>(Umu,mu);
+      U = g*U*Gimpl::CshiftLink(ag, mu, 1); //BC-aware
+      PokeIndex<LorentzIndex>(Umu,U,mu);
+    }
+  }
+  template<typename Gimpl>
+  static void GaugeTransform( std::vector<typename Gimpl::GaugeLinkField> &U, typename Gimpl::GaugeLinkField &g){
+    GridBase *grid = g.Grid();
+    typename Gimpl::GaugeLinkField ag(grid); ag = adj(g);
+    for(int mu=0;mu<Nd;mu++){
+      U[mu] = g*U[mu]*Gimpl::CshiftLink(ag, mu, 1); //BC-aware
+    }
+  }
+  template<typename Gimpl>
+  static void RandomGaugeTransform(GridParallelRNG &pRNG, typename Gimpl::GaugeField &Umu, typename Gimpl::GaugeLinkField &g){
+    LieRandomize(pRNG,g,1.0);
+    GaugeTransform<Gimpl>(Umu,g);
+  }
+
+  // Projects the algebra components a lattice matrix (of dimension ncol*ncol -1 )
+  // inverse operation: FundamentalLieAlgebraMatrix
+  static void projectOnAlgebra(LatticeAlgebraVector &h_out, const LatticeMatrix &in, Real scale = 1.0) {
+    conformable(h_out, in);
+    h_out = Zero();
+    Matrix Ta;
+
+    for (int a = 0; a < AdjointDimension; a++) {
+      generator(a, Ta);
+      pokeColour(h_out, - 2.0 * (trace(timesI(Ta) * in)) * scale, a);
+    }
+  }
+
+  template <typename GaugeField>
+  static void HotConfiguration(GridParallelRNG &pRNG, GaugeField &out) {
+    typedef typename GaugeField::vector_type vector_type;
+    typedef iSUnMatrix<vector_type> vMatrixType;
+    typedef Lattice<vMatrixType> LatticeMatrixType;
+
+    LatticeMatrixType Umu(out.Grid());
+    for (int mu = 0; mu < Nd; mu++) {
+      LieRandomize(pRNG, Umu, 1.0);
+      PokeIndex<LorentzIndex>(out, Umu, mu);
+    }
+  }
+  template<typename GaugeField>
+  static void TepidConfiguration(GridParallelRNG &pRNG,GaugeField &out){
+    typedef typename GaugeField::vector_type vector_type;
+    typedef iSUnMatrix<vector_type> vMatrixType;
+    typedef Lattice<vMatrixType> LatticeMatrixType;
+
+    LatticeMatrixType Umu(out.Grid());
+    for(int mu=0;mu<Nd;mu++){
+      LieRandomize(pRNG,Umu,0.01);
+      PokeIndex<LorentzIndex>(out,Umu,mu);
+    }
+  }
+  template<typename GaugeField>
+  static void ColdConfiguration(GaugeField &out){
+    typedef typename GaugeField::vector_type vector_type;
+    typedef iSUnMatrix<vector_type> vMatrixType;
+    typedef Lattice<vMatrixType> LatticeMatrixType;
+
+    LatticeMatrixType Umu(out.Grid());
+    Umu=1.0;
+    for(int mu=0;mu<Nd;mu++){
+      PokeIndex<LorentzIndex>(out,Umu,mu);
+    }
+  }
+  template<typename GaugeField>
+  static void ColdConfiguration(GridParallelRNG &pRNG,GaugeField &out){
+    ColdConfiguration(out);
+  }
+
+  template<typename LatticeMatrixType>
+  static void taProj( const LatticeMatrixType &in,  LatticeMatrixType &out){
+    out = Ta(in);
+  }
+  template <typename LatticeMatrixType>
+  static void taExp(const LatticeMatrixType &x, LatticeMatrixType &ex) {
+    typedef typename LatticeMatrixType::scalar_type ComplexType;
+
+    LatticeMatrixType xn(x.Grid());
+    RealD nfac = 1.0;
+
+    xn = x;
+    ex = xn + ComplexType(1.0);  // 1+x
+
+    // Do a 12th order exponentiation
+    for (int i = 2; i <= 12; ++i) {
+      nfac = nfac / RealD(i);  // 1/2, 1/2.3 ...
+      xn = xn * x;             // x2, x3,x4....
+      ex = ex + xn * nfac;     // x2/2!, x3/3!....
+    }
+  }
+};
+
+template<int N>
+LatticeComplexD Determinant(const Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > &Umu)
+{
+  GridBase *grid=Umu.Grid();
+  auto lvol = grid->lSites();
+  LatticeComplexD ret(grid);
+
+  autoView(Umu_v,Umu,CpuRead);
+  autoView(ret_v,ret,CpuWrite);
+  thread_for(site,lvol,{
+    Eigen::MatrixXcd EigenU = Eigen::MatrixXcd::Zero(N,N);
+    Coordinate lcoor;
+    grid->LocalIndexToLocalCoor(site, lcoor);
+    iScalar<iScalar<iMatrix<ComplexD, N> > > Us;
+    peekLocalSite(Us, Umu_v, lcoor);
+    for(int i=0;i<N;i++){
+      for(int j=0;j<N;j++){
+	EigenU(i,j) = Us()()(i,j);
+      }}
+    ComplexD det = EigenU.determinant();
+    pokeLocalSite(det,ret_v,lcoor);
+  });
+  return ret;
+}
+template<int N>
+static void ProjectSUn(Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > &Umu)
+{
+  Umu      = ProjectOnGroup(Umu);
+  auto det = Determinant(Umu);
+
+  det = conjugate(det);
+
+  for(int i=0;i<N;i++){
+    auto element = PeekIndex<ColourIndex>(Umu,N-1,i);
+    element = element * det;
+    PokeIndex<ColourIndex>(Umu,element,Nc-1,i);
+  }
+}
+template<int N>
+static void ProjectSUn(Lattice<iVector<iScalar<iMatrix<vComplexD, N> >,Nd> > &U)
+{
+  GridBase *grid=U.Grid();
+  // Reunitarise
+  for(int mu=0;mu<Nd;mu++){
+    auto Umu = PeekIndex<LorentzIndex>(U,mu);
+    Umu      = ProjectOnGroup(Umu);
+    ProjectSUn(Umu);
+    PokeIndex<LorentzIndex>(U,Umu,mu);
+  }
+}
+// Explicit specialisation for SU(3).
+// Explicit specialisation for SU(3).
+static void
+ProjectSU3 (Lattice<iScalar<iScalar<iMatrix<vComplexD, 3> > > > &Umu)
+{
+  GridBase *grid=Umu.Grid();
+  const int x=0;
+  const int y=1;
+  const int z=2;
+  // Reunitarise
+  Umu = ProjectOnGroup(Umu);
+  autoView(Umu_v,Umu,CpuWrite);
+  thread_for(ss,grid->oSites(),{
+      auto cm = Umu_v[ss];
+      cm()()(2,x) = adj(cm()()(0,y)*cm()()(1,z)-cm()()(0,z)*cm()()(1,y)); //x= yz-zy
+      cm()()(2,y) = adj(cm()()(0,z)*cm()()(1,x)-cm()()(0,x)*cm()()(1,z)); //y= zx-xz
+      cm()()(2,z) = adj(cm()()(0,x)*cm()()(1,y)-cm()()(0,y)*cm()()(1,x)); //z= xy-yx
+      Umu_v[ss]=cm;
+  });
+}
+static void ProjectSU3(Lattice<iVector<iScalar<iMatrix<vComplexD, 3> >,Nd> > &U)
+{
+  GridBase *grid=U.Grid();
+  // Reunitarise
+  for(int mu=0;mu<Nd;mu++){
+    auto Umu = PeekIndex<LorentzIndex>(U,mu);
+    Umu      = ProjectOnGroup(Umu);
+    ProjectSU3(Umu);
+    PokeIndex<LorentzIndex>(U,Umu,mu);
+  }
+}
+
+typedef SU<2> SU2;
+typedef SU<3> SU3;
+typedef SU<4> SU4;
+typedef SU<5> SU5;
+
+
+typedef SU<Nc> FundamentalMatrices;
+
+NAMESPACE_END(Grid);
+#endif

Grid/qcd/utils/SUn.impl.h

@@ -1,578 +0,0 @@
-// This file is #included into the body of the class template definition of
-// GaugeGroup. So, image there to be
-//
-// template <int ncolour, class group_name>
-// class GaugeGroup {
-//
-// around it.
-//
-// Please note that the unconventional file extension makes sure that it
-// doesn't get found by the scripts/filelist during bootstrapping.
-
-private:
-template <ONLY_IF_SU>
-static int su2subgroups(GroupName::SU) { return (ncolour * (ncolour - 1)) / 2; }
-////////////////////////////////////////////////////////////////////////
-// There are N^2-1 generators for SU(N).
-//
-// We take a traceless hermitian generator basis as follows
-//
-// * Normalisation: trace ta tb = 1/2 delta_ab = T_F delta_ab
-//   T_F = 1/2  for SU(N) groups
-//
-// * Off diagonal
-//    - pairs of rows i1,i2 behaving like pauli matrices signma_x, sigma_y
-//
-//    - there are (Nc-1-i1) slots for i2 on each row [ x  0  x ]
-//      direct count off each row
-//
-//    - Sum of all pairs is Nc(Nc-1)/2: proof arithmetic series
-//
-//      (Nc-1) + (Nc-2)+...  1      ==> Nc*(Nc-1)/2
-//      1+ 2+          +   + Nc-1
-//
-//    - There are 2 x Nc (Nc-1)/ 2 of these = Nc^2 - Nc
-//
-//    - We enumerate the row-col pairs.
-//    - for each row col pair there is a (sigma_x) and a (sigma_y) like
-//    generator
-//
-//
-//   t^a_ij = { in 0.. Nc(Nc-1)/2 -1} =>  1/2(delta_{i,i1} delta_{j,i2} +
-//   delta_{i,i1} delta_{j,i2})
-//   t^a_ij = { in Nc(Nc-1)/2 ... Nc(Nc-1) - 1} =>  i/2( delta_{i,i1}
-//   delta_{j,i2} - i delta_{i,i1} delta_{j,i2})
-//
-// * Diagonal; must be traceless and normalised
-//   - Sequence is
-//   N  (1,-1,0,0...)
-//   N  (1, 1,-2,0...)
-//   N  (1, 1, 1,-3,0...)
-//   N  (1, 1, 1, 1,-4,0...)
-//
-//   where 1/2 = N^2 (1+.. m^2)etc.... for the m-th diagonal generator
-//   NB this gives the famous SU3 result for su2 index 8
-//
-//   N= sqrt(1/2 . 1/6 ) = 1/2 . 1/sqrt(3)
-//
-//   ( 1      )
-//   (    1   ) / sqrt(3) /2  = 1/2 lambda_8
-//   (      -2)
-//
-////////////////////////////////////////////////////////////////////////
-template <class cplx, ONLY_IF_SU>
-static void generator(int lieIndex, iGroupMatrix<cplx> &ta, GroupName::SU) {
-  // map lie index to which type of generator
-  int diagIndex;
-  int su2Index;
-  int sigxy;
-  int NNm1 = ncolour * (ncolour - 1);
-  if (lieIndex >= NNm1) {
-    diagIndex = lieIndex - NNm1;
-    generatorDiagonal(diagIndex, ta);
-    return;
-  }
-  sigxy = lieIndex & 0x1;  // even or odd
-  su2Index = lieIndex >> 1;
-  if (sigxy)
-    generatorSigmaY(su2Index, ta);
-  else
-    generatorSigmaX(su2Index, ta);
-}
-
-template <class cplx, ONLY_IF_SU>
-static void generatorSigmaY(int su2Index, iGroupMatrix<cplx> &ta) {
-  ta = Zero();
-  int i1, i2;
-  su2SubGroupIndex(i1, i2, su2Index);
-  ta()()(i1, i2) = 1.0;
-  ta()()(i2, i1) = 1.0;
-  ta = ta * 0.5;
-}
-
-template <class cplx, ONLY_IF_SU>
-static void generatorSigmaX(int su2Index, iGroupMatrix<cplx> &ta) {
-  ta = Zero();
-  cplx i(0.0, 1.0);
-  int i1, i2;
-  su2SubGroupIndex(i1, i2, su2Index);
-  ta()()(i1, i2) = i;
-  ta()()(i2, i1) = -i;
-  ta = ta * 0.5;
-}
-
-template <class cplx, ONLY_IF_SU>
-static void generatorDiagonal(int diagIndex, iGroupMatrix<cplx> &ta) {
-  // diag ({1, 1, ..., 1}(k-times), -k, 0, 0, ...)
-  ta = Zero();
-  int k = diagIndex + 1;                  // diagIndex starts from 0
-  for (int i = 0; i <= diagIndex; i++) {  // k iterations
-    ta()()(i, i) = 1.0;
-  }
-  ta()()(k, k) = -k;  // indexing starts from 0
-  RealD nrm = 1.0 / std::sqrt(2.0 * k * (k + 1));
-  ta = ta * nrm;
-}
-
-////////////////////////////////////////////////////////////////////////
-// Map a su2 subgroup number to the pair of rows that are non zero
-////////////////////////////////////////////////////////////////////////
-static void su2SubGroupIndex(int &i1, int &i2, int su2_index, GroupName::SU) {
-  assert((su2_index >= 0) && (su2_index < (ncolour * (ncolour - 1)) / 2));
-
-  int spare = su2_index;
-  for (i1 = 0; spare >= (ncolour - 1 - i1); i1++) {
-    spare = spare - (ncolour - 1 - i1);  // remove the Nc-1-i1 terms
-  }
-  i2 = i1 + 1 + spare;
-}
-
-public:
-//////////////////////////////////////////////////////////////////////////////////////////
-// Pull out a subgroup and project on to real coeffs x pauli basis
-//////////////////////////////////////////////////////////////////////////////////////////
-template <class vcplx, ONLY_IF_SU>
-static void su2Extract(Lattice<iSinglet<vcplx> > &Determinant,
-                       Lattice<iSU2Matrix<vcplx> > &subgroup,
-                       const Lattice<iGroupMatrix<vcplx> > &source,
-                       int su2_index) {
-  GridBase *grid(source.Grid());
-  conformable(subgroup, source);
-  conformable(subgroup, Determinant);
-  int i0, i1;
-  su2SubGroupIndex(i0, i1, su2_index);
-
-  autoView(subgroup_v, subgroup, AcceleratorWrite);
-  autoView(source_v, source, AcceleratorRead);
-  autoView(Determinant_v, Determinant, AcceleratorWrite);
-  accelerator_for(ss, grid->oSites(), 1, {
-    subgroup_v[ss]()()(0, 0) = source_v[ss]()()(i0, i0);
-    subgroup_v[ss]()()(0, 1) = source_v[ss]()()(i0, i1);
-    subgroup_v[ss]()()(1, 0) = source_v[ss]()()(i1, i0);
-    subgroup_v[ss]()()(1, 1) = source_v[ss]()()(i1, i1);
-
-    iSU2Matrix<vcplx> Sigma = subgroup_v[ss];
-
-    Sigma = Sigma - adj(Sigma) + trace(adj(Sigma));
-
-    subgroup_v[ss] = Sigma;
-
-    // this should be purely real
-    Determinant_v[ss] =
-        Sigma()()(0, 0) * Sigma()()(1, 1) - Sigma()()(0, 1) * Sigma()()(1, 0);
-  });
-}
-
-//////////////////////////////////////////////////////////////////////////////////////////
-// Set matrix to one and insert a pauli subgroup
-//////////////////////////////////////////////////////////////////////////////////////////
-template <class vcplx, ONLY_IF_SU>
-static void su2Insert(const Lattice<iSU2Matrix<vcplx> > &subgroup,
-                      Lattice<iGroupMatrix<vcplx> > &dest, int su2_index) {
-  GridBase *grid(dest.Grid());
-  conformable(subgroup, dest);
-  int i0, i1;
-  su2SubGroupIndex(i0, i1, su2_index);
-
-  dest = 1.0;  // start out with identity
-  autoView(dest_v, dest, AcceleratorWrite);
-  autoView(subgroup_v, subgroup, AcceleratorRead);
-  accelerator_for(ss, grid->oSites(), 1, {
-    dest_v[ss]()()(i0, i0) = subgroup_v[ss]()()(0, 0);
-    dest_v[ss]()()(i0, i1) = subgroup_v[ss]()()(0, 1);
-    dest_v[ss]()()(i1, i0) = subgroup_v[ss]()()(1, 0);
-    dest_v[ss]()()(i1, i1) = subgroup_v[ss]()()(1, 1);
-  });
-}
-
-///////////////////////////////////////////////
-// Generate e^{ Re Tr Staple Link} dlink
-//
-// *** Note Staple should be appropriate linear compbination between all
-// staples.
-// *** If already by beta pass coefficient 1.0.
-// *** This routine applies the additional 1/Nc factor that comes after trace
-// in action.
-//
-///////////////////////////////////////////////
-template <ONLY_IF_SU>
-static void SubGroupHeatBath(
-    GridSerialRNG &sRNG, GridParallelRNG &pRNG,
-    RealD beta,  // coeff multiplying staple in action (with no 1/Nc)
-    LatticeMatrix &link,
-    const LatticeMatrix &barestaple,  // multiplied by action coeffs so th
-    int su2_subgroup, int nheatbath, LatticeInteger &wheremask) {
-  GridBase *grid = link.Grid();
-
-  const RealD twopi = 2.0 * M_PI;
-
-  LatticeMatrix staple(grid);
-
-  staple = barestaple * (beta / ncolour);
-
-  LatticeMatrix V(grid);
-  V = link * staple;
-
-  // Subgroup manipulation in the lie algebra space
-  LatticeSU2Matrix u(
-      grid);  // Kennedy pendleton "u" real projected normalised Sigma
-  LatticeSU2Matrix uinv(grid);
-  LatticeSU2Matrix ua(grid);  // a in pauli form
-  LatticeSU2Matrix b(grid);   // rotated matrix after hb
-
-  // Some handy constant fields
-  LatticeComplex ones(grid);
-  ones = 1.0;
-  LatticeComplex zeros(grid);
-  zeros = Zero();
-  LatticeReal rones(grid);
-  rones = 1.0;
-  LatticeReal rzeros(grid);
-  rzeros = Zero();
-  LatticeComplex udet(grid);  // determinant of real(staple)
-  LatticeInteger mask_true(grid);
-  mask_true = 1;
-  LatticeInteger mask_false(grid);
-  mask_false = 0;
-
-  /*
-    PLB 156 P393 (1985) (Kennedy and Pendleton)
-
-    Note: absorb "beta" into the def of sigma compared to KP paper; staple
-    passed to this routine has "beta" already multiplied in
-
-    Action linear in links h and of form:
-
-    beta S = beta  Sum_p (1 - 1/Nc Re Tr Plaq )
-
-    Writing Sigma = 1/Nc (beta Sigma') where sum over staples is "Sigma' "
-
-    beta S = const - beta/Nc Re Tr h Sigma'
-    = const - Re Tr h Sigma
-
-    Decompose h and Sigma into (1, sigma_j) ; h_i real, h^2=1, Sigma_i complex
-    arbitrary.
-
-    Tr h Sigma = h_i Sigma_j Tr (sigma_i sigma_j)  = h_i Sigma_j 2 delta_ij
-    Re Tr h Sigma = 2 h_j Re Sigma_j
-
-    Normalised re Sigma_j = xi u_j
-
-    With u_j a unit vector and U can be in SU(2);
-
-    Re Tr h Sigma = 2 h_j Re Sigma_j = 2 xi (h.u)
-
-    4xi^2 = Det [ Sig - Sig^dag  + 1 Tr Sigdag]
-    u   = 1/2xi [ Sig - Sig^dag  + 1 Tr Sigdag]
-
-    xi = sqrt(Det)/2;
-
-    Write a= u h in SU(2); a has pauli decomp a_j;
-
-    Note: Product b' xi is unvariant because scaling Sigma leaves
-    normalised vector "u" fixed; Can rescale Sigma so b' = 1.
-  */
-
-  ////////////////////////////////////////////////////////
-  // Real part of Pauli decomposition
-  // Note a subgroup can project to zero in cold start
-  ////////////////////////////////////////////////////////
-  su2Extract(udet, u, V, su2_subgroup);
-
-  //////////////////////////////////////////////////////
-  // Normalising this vector if possible; else identity
-  //////////////////////////////////////////////////////
-  LatticeComplex xi(grid);
-
-  LatticeSU2Matrix lident(grid);
-
-  SU2Matrix ident = Complex(1.0);
-  SU2Matrix pauli1;
-  GaugeGroup<2, GroupName::SU>::generator(0, pauli1);
-  SU2Matrix pauli2;
-  GaugeGroup<2, GroupName::SU>::generator(1, pauli2);
-  SU2Matrix pauli3;
-  GaugeGroup<2, GroupName::SU>::generator(2, pauli3);
-  pauli1 = timesI(pauli1) * 2.0;
-  pauli2 = timesI(pauli2) * 2.0;
-  pauli3 = timesI(pauli3) * 2.0;
-
-  LatticeComplex cone(grid);
-  LatticeReal adet(grid);
-  adet = abs(toReal(udet));
-  lident = Complex(1.0);
-  cone = Complex(1.0);
-  Real machine_epsilon = 1.0e-7;
-  u = where(adet > machine_epsilon, u, lident);
-  udet = where(adet > machine_epsilon, udet, cone);
-
-  xi = 0.5 * sqrt(udet);        // 4xi^2 = Det [ Sig - Sig^dag  + 1 Tr Sigdag]
-  u = 0.5 * u * pow(xi, -1.0);  //  u   = 1/2xi [ Sig - Sig^dag  + 1 Tr Sigdag]
-
-  // Debug test for sanity
-  uinv = adj(u);
-  b = u * uinv - 1.0;
-  assert(norm2(b) < 1.0e-4);
-
-  /*
-    Measure: Haar measure dh has d^4a delta(1-|a^2|)
-    In polars:
-    da = da0 r^2 sin theta dr dtheta dphi delta( 1 - r^2 -a0^2)
-    = da0 r^2 sin theta dr dtheta dphi delta( (sqrt(1-a0^) - r)(sqrt(1-a0^) +
-    r) )
-    = da0 r/2 sin theta dr dtheta dphi delta( (sqrt(1-a0^) - r) )
-
-    Action factor Q(h) dh  = e^-S[h]  dh =  e^{  xi Tr uh} dh    // beta
-    enters through xi =  e^{2 xi (h.u)} dh =  e^{2 xi h0u0}.e^{2 xi h1u1}.e^{2
-    xi h2u2}.e^{2 xi h3u3} dh
-
-    Therefore for each site, take xi for that site
-    i) generate  |a0|<1 with dist
-    (1-a0^2)^0.5 e^{2 xi a0 } da0
-
-    Take alpha = 2 xi  = 2 xi [ recall 2 beta/Nc unmod staple norm];
-    hence 2.0/Nc factor in Chroma ] A. Generate two uniformly distributed
-    pseudo-random numbers R and R', R'', R''' in the unit interval; B. Set X =
-    -(ln R)/alpha, X' =-(ln R')/alpha; C. Set C = cos^2(2pi R"), with R"
-    another uniform random number in [0,1] ; D. Set A = XC; E. Let d  = X'+A;
-    F. If R'''^2 :> 1 - 0.5 d,  go back to A;
-    G. Set a0 = 1 - d;
-
-    Note that in step D setting B ~ X - A and using B in place of A in step E
-    will generate a second independent a 0 value.
-  */
-
-  /////////////////////////////////////////////////////////
-  // count the number of sites by picking "1"'s out of hat
-  /////////////////////////////////////////////////////////
-  Integer hit = 0;
-  LatticeReal rtmp(grid);
-  rtmp = where(wheremask, rones, rzeros);
-  RealD numSites = sum(rtmp);
-  RealD numAccepted;
-  LatticeInteger Accepted(grid);
-  Accepted = Zero();
-  LatticeInteger newlyAccepted(grid);
-
-  std::vector<LatticeReal> xr(4, grid);
-  std::vector<LatticeReal> a(4, grid);
-  LatticeReal d(grid);
-  d = Zero();
-  LatticeReal alpha(grid);
-
-  //    std::cout<<GridLogMessage<<"xi "<<xi <<std::endl;
-  xi = 2.0 * xi;
-  alpha = toReal(xi);
-
-  do {
-    // A. Generate two uniformly distributed pseudo-random numbers R and R',
-    // R'', R''' in the unit interval;
-    random(pRNG, xr[0]);
-    random(pRNG, xr[1]);
-    random(pRNG, xr[2]);
-    random(pRNG, xr[3]);
-
-    // B. Set X = - ln R/alpha, X' = -ln R'/alpha
-    xr[1] = -log(xr[1]) / alpha;
-    xr[2] = -log(xr[2]) / alpha;
-
-    // C. Set C = cos^2(2piR'')
-    xr[3] = cos(xr[3] * twopi);
-    xr[3] = xr[3] * xr[3];
-
-    LatticeReal xrsq(grid);
-
-    // D. Set A = XC;
-    // E. Let d  = X'+A;
-    xrsq = xr[2] + xr[1] * xr[3];
-
-    d = where(Accepted, d, xr[2] + xr[1] * xr[3]);
-
-    // F. If R'''^2 :> 1 - 0.5 d,  go back to A;
-    LatticeReal thresh(grid);
-    thresh = 1.0 - d * 0.5;
-    xrsq = xr[0] * xr[0];
-    LatticeInteger ione(grid);
-    ione = 1;
-    LatticeInteger izero(grid);
-    izero = Zero();
-
-    newlyAccepted = where(xrsq < thresh, ione, izero);
-    Accepted = where(newlyAccepted, newlyAccepted, Accepted);
-    Accepted = where(wheremask, Accepted, izero);
-
-    // FIXME need an iSum for integer to avoid overload on return type??
-    rtmp = where(Accepted, rones, rzeros);
-    numAccepted = sum(rtmp);
-
-    hit++;
-
-  } while ((numAccepted < numSites) && (hit < nheatbath));
-
-  // G. Set a0 = 1 - d;
-  a[0] = Zero();
-  a[0] = where(wheremask, 1.0 - d, a[0]);
-
-  //////////////////////////////////////////
-  //    ii) generate a_i uniform on two sphere radius (1-a0^2)^0.5
-  //////////////////////////////////////////
-
-  LatticeReal a123mag(grid);
-  a123mag = sqrt(abs(1.0 - a[0] * a[0]));
-
-  LatticeReal cos_theta(grid);
-  LatticeReal sin_theta(grid);
-  LatticeReal phi(grid);
-
-  random(pRNG, phi);
-  phi = phi * twopi;  // uniform in [0,2pi]
-  random(pRNG, cos_theta);
-  cos_theta = (cos_theta * 2.0) - 1.0;  // uniform in [-1,1]
-  sin_theta = sqrt(abs(1.0 - cos_theta * cos_theta));
-
-  a[1] = a123mag * sin_theta * cos(phi);
-  a[2] = a123mag * sin_theta * sin(phi);
-  a[3] = a123mag * cos_theta;
-
-  ua = toComplex(a[0]) * ident + toComplex(a[1]) * pauli1 +
-       toComplex(a[2]) * pauli2 + toComplex(a[3]) * pauli3;
-
-  b = 1.0;
-  b = where(wheremask, uinv * ua, b);
-  su2Insert(b, V, su2_subgroup);
-
-  // mask the assignment back based on Accptance
-  link = where(Accepted, V * link, link);
-
-  //////////////////////////////
-  // Debug Checks
-  // SU2 check
-  LatticeSU2Matrix check(grid);  // rotated matrix after hb
-  u = Zero();
-  check = ua * adj(ua) - 1.0;
-  check = where(Accepted, check, u);
-  assert(norm2(check) < 1.0e-4);
-
-  check = b * adj(b) - 1.0;
-  check = where(Accepted, check, u);
-  assert(norm2(check) < 1.0e-4);
-
-  LatticeMatrix Vcheck(grid);
-  Vcheck = Zero();
-  Vcheck = where(Accepted, V * adj(V) - 1.0, Vcheck);
-  //    std::cout<<GridLogMessage << "SU3 check " <<norm2(Vcheck)<<std::endl;
-  assert(norm2(Vcheck) < 1.0e-4);
-
-  // Verify the link stays in SU(3)
-  //    std::cout<<GridLogMessage <<"Checking the modified link"<<std::endl;
-  Vcheck = link * adj(link) - 1.0;
-  assert(norm2(Vcheck) < 1.0e-4);
-  /////////////////////////////////
-}
-
-template <ONLY_IF_SU>
-static void testGenerators(GroupName::SU) {
-  Matrix ta;
-  Matrix tb;
-  std::cout << GridLogMessage
-            << "Fundamental - Checking trace ta tb is 0.5 delta_ab"
-            << std::endl;
-  for (int a = 0; a < AdjointDimension; a++) {
-    for (int b = 0; b < AdjointDimension; b++) {
-      generator(a, ta);
-      generator(b, tb);
-      Complex tr = TensorRemove(trace(ta * tb));
-      std::cout << GridLogMessage << "(" << a << "," << b << ") =  " << tr
-                << std::endl;
-      if (a == b) assert(abs(tr - Complex(0.5)) < 1.0e-6);
-      if (a != b) assert(abs(tr) < 1.0e-6);
-    }
-    std::cout << GridLogMessage << std::endl;
-  }
-  std::cout << GridLogMessage << "Fundamental - Checking if hermitian"
-            << std::endl;
-  for (int a = 0; a < AdjointDimension; a++) {
-    generator(a, ta);
-    std::cout << GridLogMessage << a << std::endl;
-    assert(norm2(ta - adj(ta)) < 1.0e-6);
-  }
-  std::cout << GridLogMessage << std::endl;
-
-  std::cout << GridLogMessage << "Fundamental - Checking if traceless"
-            << std::endl;
-  for (int a = 0; a < AdjointDimension; a++) {
-    generator(a, ta);
-    Complex tr = TensorRemove(trace(ta));
-    std::cout << GridLogMessage << a << " " << std::endl;
-    assert(abs(tr) < 1.0e-6);
-  }
-  std::cout << GridLogMessage << std::endl;
-}
-
-
-template <int N, class vtype>
-static Lattice<iScalar<iScalar<iMatrix<vtype, N> > > >
-ProjectOnGeneralGroup(const Lattice<iScalar<iScalar<iMatrix<vtype, N> > > > &Umu, GroupName::SU) {
-  return ProjectOnGroup(Umu);
-}
-
-template <class vtype>
-accelerator_inline static iScalar<vtype> ProjectOnGeneralGroup(const iScalar<vtype> &r, GroupName::SU) {
-  return ProjectOnGroup(r);
-}
-
-template <class vtype, int N>
-accelerator_inline static iVector<vtype,N> ProjectOnGeneralGroup(const iVector<vtype,N> &r, GroupName::SU) {
-  return ProjectOnGroup(r);
-}
-
-template <class vtype,int N, typename std::enable_if< GridTypeMapper<vtype>::TensorLevel == 0 >::type * =nullptr>
-accelerator_inline static iMatrix<vtype,N> ProjectOnGeneralGroup(const iMatrix<vtype,N> &arg, GroupName::SU) {
-  return ProjectOnGroup(arg);
-}
-
-template <typename LatticeMatrixType>
-static void taProj(const LatticeMatrixType &in, LatticeMatrixType &out, GroupName::SU) {
-  out = Ta(in);
-}
-
-/*
- * Fundamental rep gauge xform
- */
-template<typename Fundamental,typename GaugeMat>
-static void GaugeTransformFundamental( Fundamental &ferm, GaugeMat &g){
-  GridBase *grid = ferm._grid;
-  conformable(grid,g._grid);
-  ferm = g*ferm;
-}
-/*
- * Adjoint rep gauge xform
- */
-
-template<typename Gimpl>
-static void GaugeTransform(typename Gimpl::GaugeField &Umu, typename Gimpl::GaugeLinkField &g){
-  GridBase *grid = Umu.Grid();
-  conformable(grid,g.Grid());
-
-  typename Gimpl::GaugeLinkField U(grid);
-  typename Gimpl::GaugeLinkField ag(grid); ag = adj(g);
-
-  for(int mu=0;mu<Nd;mu++){
-    U= PeekIndex<LorentzIndex>(Umu,mu);
-    U = g*U*Gimpl::CshiftLink(ag, mu, 1); //BC-aware
-    PokeIndex<LorentzIndex>(Umu,U,mu);
-  }
-}
-template<typename Gimpl>
-static void GaugeTransform( std::vector<typename Gimpl::GaugeLinkField> &U, typename Gimpl::GaugeLinkField &g){
-  GridBase *grid = g.Grid();
-  typename Gimpl::GaugeLinkField ag(grid); ag = adj(g);
-  for(int mu=0;mu<Nd;mu++){
-    U[mu] = g*U[mu]*Gimpl::CshiftLink(ag, mu, 1); //BC-aware
-  }
-}
-template<typename Gimpl>
-static void RandomGaugeTransform(GridParallelRNG &pRNG, typename Gimpl::GaugeField &Umu, typename Gimpl::GaugeLinkField &g){
-  LieRandomize(pRNG,g,1.0);
-  GaugeTransform<Gimpl>(Umu,g);
-}

Grid/qcd/utils/SUnAdjoint.h

@@ -52,18 +52,13 @@ public:
   typedef Lattice<iVector<iScalar<iMatrix<vComplexD, Dimension> >, Nd> > LatticeAdjFieldD;
 
 
-  template <typename vtype>
-  using iSUnMatrix = iScalar<iScalar<iMatrix<vtype, ncolour> > >;
-
-  typedef Lattice<iScalar<iScalar<iVector<vComplex, Dimension> > > >  LatticeAdjVector;
-
   template <class cplx>
   static void generator(int Index, iSUnAdjointMatrix<cplx> &iAdjTa) {
     // returns i(T_Adj)^index necessary for the projectors
     // see definitions above
     iAdjTa = Zero();
-    Vector<iSUnMatrix<cplx> > ta(ncolour * ncolour - 1);
+    Vector<typename SU<ncolour>::template iSUnMatrix<cplx> > ta(ncolour * ncolour - 1);
-    iSUnMatrix<cplx> tmp;
+    typename SU<ncolour>::template iSUnMatrix<cplx> tmp;
 
     // FIXME not very efficient to get all the generators everytime
     for (int a = 0; a < Dimension; a++) SU<ncolour>::generator(a, ta[a]);
@@ -71,7 +66,8 @@ public:
     for (int a = 0; a < Dimension; a++) {
       tmp = ta[a] * ta[Index] - ta[Index] * ta[a];
       for (int b = 0; b < (ncolour * ncolour - 1); b++) {
-        iSUnMatrix<cplx> tmp1 = 2.0 * tmp * ta[b];  // 2.0 from the normalization
+        typename SU<ncolour>::template iSUnMatrix<cplx> tmp1 =
+	  2.0 * tmp * ta[b];  // 2.0 from the normalization
         Complex iTr = TensorRemove(timesI(trace(tmp1)));
         //iAdjTa()()(b, a) = iTr;
         iAdjTa()()(a, b) = iTr;
@@ -137,7 +133,8 @@ public:
 
     for (int a = 0; a < Dimension; a++) {
       generator(a, iTa);
-      pokeColour(h_out, real(trace(iTa * in)) * coefficient, a);
+      LatticeComplex tmp = real(trace(iTa * in)) * coefficient;
+      pokeColour(h_out, tmp, a);
     }
   }
 

Grid/qcd/utils/SUnTwoIndex.h

@@ -0,0 +1,273 @@
+////////////////////////////////////////////////////////////////////////
+//
+// * Two index representation generators
+//
+// * Normalisation for the fundamental generators:
+//   trace ta tb = 1/2 delta_ab = T_F delta_ab
+//   T_F = 1/2  for SU(N) groups
+//
+//
+//   base for NxN two index (anti-symmetric) matrices
+//   normalized to 1 (d_ij is the kroenecker delta)
+//
+//   (e^(ij)_{kl} = 1 / sqrt(2) (d_ik d_jl +/- d_jk d_il)
+//
+//   Then the generators are written as
+//
+//   (iT_a)^(ij)(lk) = i * ( tr[e^(ij)^dag e^(lk) T^trasp_a] +
+//   tr[e^(lk)e^(ij)^dag T_a] )  //
+//   
+//
+////////////////////////////////////////////////////////////////////////
+
+// Authors: David Preti, Guido Cossu
+
+#ifndef QCD_UTIL_SUN2INDEX_H
+#define QCD_UTIL_SUN2INDEX_H
+
+
+NAMESPACE_BEGIN(Grid);
+
+enum TwoIndexSymmetry { Symmetric = 1, AntiSymmetric = -1 };
+
+inline Real delta(int a, int b) { return (a == b) ? 1.0 : 0.0; }
+
+template <int ncolour, TwoIndexSymmetry S>
+class SU_TwoIndex : public SU<ncolour> {
+public:
+  static const int Dimension = ncolour * (ncolour + S) / 2;
+  static const int NumGenerators = SU<ncolour>::AdjointDimension;
+
+  template <typename vtype>
+  using iSUnTwoIndexMatrix = iScalar<iScalar<iMatrix<vtype, Dimension> > >;
+
+  typedef iSUnTwoIndexMatrix<Complex> TIMatrix;
+  typedef iSUnTwoIndexMatrix<ComplexF> TIMatrixF;
+  typedef iSUnTwoIndexMatrix<ComplexD> TIMatrixD;
+
+  typedef iSUnTwoIndexMatrix<vComplex> vTIMatrix;
+  typedef iSUnTwoIndexMatrix<vComplexF> vTIMatrixF;
+  typedef iSUnTwoIndexMatrix<vComplexD> vTIMatrixD;
+
+  typedef Lattice<vTIMatrix> LatticeTwoIndexMatrix;
+  typedef Lattice<vTIMatrixF> LatticeTwoIndexMatrixF;
+  typedef Lattice<vTIMatrixD> LatticeTwoIndexMatrixD;
+
+  typedef Lattice<iVector<iScalar<iMatrix<vComplex, Dimension> >, Nd> >
+  LatticeTwoIndexField;
+  typedef Lattice<iVector<iScalar<iMatrix<vComplexF, Dimension> >, Nd> >
+  LatticeTwoIndexFieldF;
+  typedef Lattice<iVector<iScalar<iMatrix<vComplexD, Dimension> >, Nd> >
+  LatticeTwoIndexFieldD;
+
+  template <typename vtype>
+  using iSUnMatrix = iScalar<iScalar<iMatrix<vtype, ncolour> > >;
+
+  typedef iSUnMatrix<Complex> Matrix;
+  typedef iSUnMatrix<ComplexF> MatrixF;
+  typedef iSUnMatrix<ComplexD> MatrixD;
+
+  template <class cplx>
+  static void base(int Index, iSUnMatrix<cplx> &eij) {
+    // returns (e)^(ij)_{kl} necessary for change of base U_F -> U_R
+    assert(Index < NumGenerators);
+    eij = Zero();
+
+    // for the linearisation of the 2 indexes 
+    static int a[ncolour * (ncolour - 1) / 2][2]; // store the a <-> i,j
+    static bool filled = false;
+    if (!filled) {
+      int counter = 0;
+      for (int i = 1; i < ncolour; i++) {
+        for (int j = 0; j < i; j++) {
+          a[counter][0] = i;
+          a[counter][1] = j;
+          counter++;
+        }
+      }
+      filled = true;
+    }
+
+    if (Index < ncolour * (ncolour - 1) / 2) {
+      baseOffDiagonal(a[Index][0], a[Index][1], eij);
+    } else {
+      baseDiagonal(Index, eij);
+    }
+  }
+
+  template <class cplx>
+  static void baseDiagonal(int Index, iSUnMatrix<cplx> &eij) {
+    eij = Zero();
+    eij()()(Index - ncolour * (ncolour - 1) / 2,
+            Index - ncolour * (ncolour - 1) / 2) = 1.0;
+  }
+
+  template <class cplx>
+  static void baseOffDiagonal(int i, int j, iSUnMatrix<cplx> &eij) {
+    eij = Zero();
+    for (int k = 0; k < ncolour; k++)
+      for (int l = 0; l < ncolour; l++)
+        eij()()(l, k) = delta(i, k) * delta(j, l) +
+	  S * delta(j, k) * delta(i, l);
+
+    RealD nrm = 1. / std::sqrt(2.0);
+    eij = eij * nrm;
+  }
+
+  static void printBase(void) {
+    for (int gen = 0; gen < Dimension; gen++) {
+      Matrix tmp;
+      base(gen, tmp);
+      std::cout << GridLogMessage << "Nc = " << ncolour << " t_" << gen
+                << std::endl;
+      std::cout << GridLogMessage << tmp << std::endl;
+    }
+  }
+
+  template <class cplx>
+  static void generator(int Index, iSUnTwoIndexMatrix<cplx> &i2indTa) {
+    Vector<typename SU<ncolour>::template iSUnMatrix<cplx> > ta(
+								ncolour * ncolour - 1);
+    Vector<typename SU<ncolour>::template iSUnMatrix<cplx> > eij(Dimension);
+    typename SU<ncolour>::template iSUnMatrix<cplx> tmp;
+    i2indTa = Zero();
+    
+    for (int a = 0; a < ncolour * ncolour - 1; a++)
+      SU<ncolour>::generator(a, ta[a]);
+    
+    for (int a = 0; a < Dimension; a++) base(a, eij[a]);
+
+    for (int a = 0; a < Dimension; a++) {
+      tmp = transpose(ta[Index]) * adj(eij[a]) + adj(eij[a]) * ta[Index];
+      for (int b = 0; b < Dimension; b++) {
+        typename SU<ncolour>::template iSUnMatrix<cplx> tmp1 =
+	  tmp * eij[b]; 
+        Complex iTr = TensorRemove(timesI(trace(tmp1)));
+        i2indTa()()(a, b) = iTr;
+      }
+    }
+  }
+
+  static void printGenerators(void) {
+    for (int gen = 0; gen < ncolour * ncolour - 1; gen++) {
+      TIMatrix i2indTa;
+      generator(gen, i2indTa);
+      std::cout << GridLogMessage << "Nc = " << ncolour << " t_" << gen
+                << std::endl;
+      std::cout << GridLogMessage << i2indTa << std::endl;
+    }
+  }
+
+  static void testGenerators(void) {
+    TIMatrix i2indTa, i2indTb;
+    std::cout << GridLogMessage << "2IndexRep - Checking if traceless"
+              << std::endl;
+    for (int a = 0; a < ncolour * ncolour - 1; a++) {
+      generator(a, i2indTa);
+      std::cout << GridLogMessage << a << std::endl;
+      assert(norm2(trace(i2indTa)) < 1.0e-6);
+    }
+    std::cout << GridLogMessage << std::endl;
+
+    std::cout << GridLogMessage << "2IndexRep - Checking if antihermitean"
+              << std::endl;
+    for (int a = 0; a < ncolour * ncolour - 1; a++) {
+      generator(a, i2indTa);
+      std::cout << GridLogMessage << a << std::endl;
+      assert(norm2(adj(i2indTa) + i2indTa) < 1.0e-6);
+    }
+
+    std::cout << GridLogMessage << std::endl;
+    std::cout << GridLogMessage
+              << "2IndexRep - Checking Tr[Ta*Tb]=delta(a,b)*(N +- 2)/2"
+              << std::endl;
+    for (int a = 0; a < ncolour * ncolour - 1; a++) {
+      for (int b = 0; b < ncolour * ncolour - 1; b++) {
+        generator(a, i2indTa);
+        generator(b, i2indTb);
+
+        // generator returns iTa, so we need a minus sign here
+        Complex Tr = -TensorRemove(trace(i2indTa * i2indTb));
+        std::cout << GridLogMessage << "a=" << a << "b=" << b << "Tr=" << Tr
+                  << std::endl;
+      }
+    }
+    std::cout << GridLogMessage << std::endl;
+  }
+
+  static void TwoIndexLieAlgebraMatrix(
+				       const typename SU<ncolour>::LatticeAlgebraVector &h,
+				       LatticeTwoIndexMatrix &out, Real scale = 1.0) {
+    conformable(h, out);
+    GridBase *grid = out.Grid();
+    LatticeTwoIndexMatrix la(grid);
+    TIMatrix i2indTa;
+
+    out = Zero();
+    for (int a = 0; a < ncolour * ncolour - 1; a++) {
+      generator(a, i2indTa);
+      la = peekColour(h, a) * i2indTa;
+      out += la;
+    }
+    out *= scale;
+  }
+
+  // Projects the algebra components 
+  // of a lattice matrix ( of dimension ncol*ncol -1 )
+  static void projectOnAlgebra(
+			       typename SU<ncolour>::LatticeAlgebraVector &h_out,
+			       const LatticeTwoIndexMatrix &in, Real scale = 1.0) {
+    conformable(h_out, in);
+    h_out = Zero();
+    TIMatrix i2indTa;
+    Real coefficient = -2.0 / (ncolour + 2 * S) * scale;
+    // 2/(Nc +/- 2) for the normalization of the trace in the two index rep
+    for (int a = 0; a < ncolour * ncolour - 1; a++) {
+      generator(a, i2indTa);
+      auto tmp = real(trace(i2indTa * in)) * coefficient;
+      pokeColour(h_out, tmp, a);
+    }
+  }
+
+  // a projector that keeps the generators stored to avoid the overhead of
+  // recomputing them
+  static void projector(typename SU<ncolour>::LatticeAlgebraVector &h_out,
+                        const LatticeTwoIndexMatrix &in, Real scale = 1.0) {
+    conformable(h_out, in);
+    // to store the generators
+    static std::vector<TIMatrix> i2indTa(ncolour * ncolour -1); 
+    h_out = Zero();
+    static bool precalculated = false;
+    if (!precalculated) {
+      precalculated = true;
+      for (int a = 0; a < ncolour * ncolour - 1; a++) generator(a, i2indTa[a]);
+    }
+
+    Real coefficient =
+      -2.0 / (ncolour + 2 * S) * scale;  // 2/(Nc +/- 2) for the normalization
+    // of the trace in the two index rep
+
+    for (int a = 0; a < ncolour * ncolour - 1; a++) {
+      auto tmp = real(trace(i2indTa[a] * in)) * coefficient;
+      pokeColour(h_out, tmp, a);
+    }
+  }
+};
+
+// Some useful type names
+typedef SU_TwoIndex<Nc, Symmetric> TwoIndexSymmMatrices;
+typedef SU_TwoIndex<Nc, AntiSymmetric> TwoIndexAntiSymmMatrices;
+
+typedef SU_TwoIndex<2, Symmetric> SU2TwoIndexSymm;
+typedef SU_TwoIndex<3, Symmetric> SU3TwoIndexSymm;
+typedef SU_TwoIndex<4, Symmetric> SU4TwoIndexSymm;
+typedef SU_TwoIndex<5, Symmetric> SU5TwoIndexSymm;
+
+typedef SU_TwoIndex<2, AntiSymmetric> SU2TwoIndexAntiSymm;
+typedef SU_TwoIndex<3, AntiSymmetric> SU3TwoIndexAntiSymm;
+typedef SU_TwoIndex<4, AntiSymmetric> SU4TwoIndexAntiSymm;
+typedef SU_TwoIndex<5, AntiSymmetric> SU5TwoIndexAntiSymm;
+
+NAMESPACE_END(Grid);
+
+#endif

Grid/qcd/utils/Sp2n.impl.h

@@ -1,317 +0,0 @@
-// This file is #included into the body of the class template definition of
-// GaugeGroup. So, image there to be
-//
-// template <int ncolour, class group_name>
-// class GaugeGroup {
-//
-// around it.
-//
-// Please note that the unconventional file extension makes sure that it
-// doesn't get found by the scripts/filelist during bootstrapping.
-
-private:
-template <ONLY_IF_Sp>
-static int su2subgroups(GroupName::Sp) { return (ncolour/2 * (ncolour/2 - 1)) / 2; }
-
-// Sp(2N) has N(2N+1) = 2N^2+N generators
-//
-// normalise the generators such that
-// Trace ( Ta Tb) = 1/2 delta_ab
-//
-// N generators in the cartan, 2N^2 off
-// off diagonal:
-//     there are 6 types named a,b,c,d and w,z
-//     abcd are N(N-1)/2 each while wz are N each
-
-template <class cplx, ONLY_IF_Sp>
-static void generator(int lieIndex, iGroupMatrix<cplx> &ta, GroupName::Sp) {
-  // map lie index into type of generators: diagonal, abcd type, wz type
-
-  const int nsp = ncolour/2;
-  int diagIndex;
-  int aIndex, bIndex, cIndex, dIndex;
-  int wIndex, zIndex;  // a,b,c,d are N(N-1)/2 and w,z are N
-  const int mod = nsp * (nsp - 1) * 0.5;
-  const int offdiag =
-      2 * nsp * nsp;  // number of generators not in the cartan subalgebra
-  const int wmod = 4 * mod;
-  const int zmod = wmod + nsp;
-  if (lieIndex >= offdiag) {
-    diagIndex = lieIndex - offdiag;  // 0, ... ,N-1
-    // std::cout << GridLogMessage << "diag type " << std::endl;
-    generatorDiagtype(diagIndex, ta);
-    return;
-  }
-  if ((lieIndex >= wmod) && (lieIndex < zmod)) {
-    // std::cout << GridLogMessage << "w type " << std::endl;
-    wIndex = lieIndex - wmod;  // 0, ... ,N-1
-    generatorWtype(wIndex, ta);
-    return;
-  }
-  if ((lieIndex >= zmod) && (lieIndex < offdiag)) {
-    // std::cout << GridLogMessage << "z type " << std::endl;
-    // std::cout << GridLogMessage << "lie index " << lieIndex << std::endl;
-    // std::cout << GridLogMessage << "z mod " << zmod << std::endl;
-    zIndex = lieIndex - zmod;  // 0, ... ,N-1
-    generatorZtype(zIndex, ta);
-    return;
-  }
-  if (lieIndex < mod) {  // atype 0, ... , N(N-1)/2=mod
-    // std::cout << GridLogMessage << "a type " << std::endl;
-    aIndex = lieIndex;
-    // std::cout << GridLogMessage << "a indx " << aIndex << std::endl;
-    generatorAtype(aIndex, ta);
-    return;
-  }
-  if ((lieIndex >= mod) && lieIndex < 2 * mod) {  // btype mod, ... , 2mod-1
-    // std::cout << GridLogMessage << "b type " << std::endl;
-    bIndex = lieIndex - mod;
-    generatorBtype(bIndex, ta);
-    return;
-  }
-  if ((lieIndex >= 2 * mod) &&
-      lieIndex < 3 * mod) {  // ctype 2mod, ... , 3mod-1
-    // std::cout << GridLogMessage << "c type " << std::endl;
-    cIndex = lieIndex - 2 * mod;
-    generatorCtype(cIndex, ta);
-    return;
-  }
-  if ((lieIndex >= 3 * mod) &&
-      lieIndex < wmod) {  // ctype 3mod, ... , 4mod-1 = wmod-1
-    // std::cout << GridLogMessage << "d type " << std::endl;
-    dIndex = lieIndex - 3 * mod;
-    generatorDtype(dIndex, ta);
-    return;
-  }
-
-}  // end of generator
-
-template <class cplx, ONLY_IF_Sp>
-static void generatorDiagtype(int diagIndex, iGroupMatrix<cplx> &ta) {
-  // ta(i,i) = - ta(i+N,i+N) = 1/2 for each i index of the cartan subalgebra
-
-  const int nsp=ncolour/2;
-  ta = Zero();
-  RealD nrm = 1.0 / 2;
-
-  ta()()(diagIndex, diagIndex) = nrm;
-  ta()()(diagIndex + nsp, diagIndex + nsp) = -nrm;
-}
-
-template <class cplx, ONLY_IF_Sp>
-static void generatorAtype(int aIndex, iGroupMatrix<cplx> &ta) {
-  // ta(i,j) = ta(j,i) = -ta(i+N,j+N) = -ta(j+N,i+N) = 1 / 2 sqrt(2)
-  // with i<j and i=0,...,N-2
-  // follows that j=i+1, ... , N
-  int i1, i2;
-  const int nsp=ncolour/2;
-  ta = Zero();
-  RealD nrm = 1 / (2 * std::sqrt(2));
-
-  su2SubGroupIndex(i1, i2, aIndex);
-  ta()()(i1, i2) = 1;
-  ta()()(i2, i1) = 1;
-  ta()()(i1 + nsp, i2 + nsp) = -1;
-  ta()()(i2 + nsp, i1 + nsp) = -1;
-
-  ta = ta * nrm;
-}
-
-template <class cplx, ONLY_IF_Sp>
-static void generatorBtype(int bIndex, iGroupMatrix<cplx> &ta) {
-  // ta(i,j) = -ta(j,i) = ta(i+N,j+N) = -ta(j+N,i+N) = i / 1/ 2 sqrt(2)
-  // with i<j and i=0,...,N-2
-  // follows that j=i+1, ... , N-1
-
-  const int nsp=ncolour/2;
-  int i1, i2;
-  ta = Zero();
-  cplx i(0.0, 1.0);
-  RealD nrm = 1 / (2 * std::sqrt(2));
-  su2SubGroupIndex(i1, i2, bIndex);
-
-  ta()()(i1, i2) = i;
-  ta()()(i2, i1) = -i;
-  ta()()(i1 + nsp, i2 + nsp) = i;
-  ta()()(i2 + nsp, i1 + nsp) = -i;
-
-  ta = ta * nrm;
-}
-
-template <class cplx, ONLY_IF_Sp>
-static void generatorCtype(int cIndex, iGroupMatrix<cplx> &ta) {
-  // ta(i,j+N) = ta(j,i+N) = ta(i+N,j) = ta(j+N,i) = 1 / 2 sqrt(2)
-
-  const int nsp=ncolour/2;
-  int i1, i2;
-  ta = Zero();
-  RealD nrm = 1 / (2 * std::sqrt(2));
-  su2SubGroupIndex(i1, i2, cIndex);
-
-  ta()()(i1, i2 + nsp) = 1;
-  ta()()(i2, i1 + nsp) = 1;
-  ta()()(i1 + nsp, i2) = 1;
-  ta()()(i2 + nsp, i1) = 1;
-
-  ta = ta * nrm;
-}
-
-template <class cplx, ONLY_IF_Sp>
-static void generatorDtype(int dIndex, iGroupMatrix<cplx> &ta) {
-  // ta(i,j+N) = ta(j,i+N) = -ta(i+N,j) = -ta(j+N,i) = i /  2 sqrt(2)
-
-  const int nsp=ncolour/2;
-  int i1, i2;
-  ta = Zero();
-  cplx i(0.0, 1.0);
-  RealD nrm = 1 / (2 * std::sqrt(2));
-  su2SubGroupIndex(i1, i2, dIndex);
-
-  ta()()(i1, i2 + nsp) = i;
-  ta()()(i2, i1 + nsp) = i;
-  ta()()(i1 + nsp, i2) = -i;
-  ta()()(i2 + nsp, i1) = -i;
-
-  ta = ta * nrm;
-}
-
-template <class cplx, ONLY_IF_Sp>
-static void generatorWtype(int wIndex, iGroupMatrix<cplx> &ta) {
-  // ta(i,i+N) =  ta(i+N,i) = 1/2
-
-  const int nsp=ncolour/2;
-  ta = Zero();
-  RealD nrm = 1.0 / 2;  // check
-
-  ta()()(wIndex, wIndex + nsp) = 1;
-  ta()()(wIndex + nsp, wIndex) = 1;
-
-  ta = ta * nrm;
-}
-
-template <class cplx, ONLY_IF_Sp>
-static void generatorZtype(int zIndex, iGroupMatrix<cplx> &ta) {
-  // ta(i,i+N) = - ta(i+N,i) = i/2
-
-  const int nsp=ncolour/2;
-  ta = Zero();
-  RealD nrm = 1.0 / 2;  // check
-  cplx i(0.0, 1.0);
-  ta()()(zIndex, zIndex + nsp) = i;
-  ta()()(zIndex + nsp, zIndex) = -i;
-
-  ta = ta * nrm;
-}
-
-////////////////////////////////////////////////////////////////////////
-// Map a su2 subgroup number to the pair of rows that are non zero
-////////////////////////////////////////////////////////////////////////
-template <ONLY_IF_Sp>
-static void su2SubGroupIndex(int &i1, int &i2, int su2_index, GroupName::Sp) {
-  const int nsp=ncolour/2;
-  assert((su2_index >= 0) && (su2_index < (nsp * (nsp - 1)) / 2));
-
-  int spare = su2_index;
-  for (i1 = 0; spare >= (nsp - 1 - i1); i1++) {
-    spare = spare - (nsp - 1 - i1);  // remove the Nc-1-i1 terms
-  }
-  i2 = i1 + 1 + spare;
-}
-
-static void testGenerators(GroupName::Sp) {
-  Matrix ta;
-  Matrix tb;
-  std::cout << GridLogMessage
-            << "Fundamental - Checking trace ta tb is 0.5 delta_ab "
-            << std::endl;
-  for (int a = 0; a < AlgebraDimension; a++) {
-    for (int b = 0; b < AlgebraDimension; b++) {
-      generator(a, ta);
-      generator(b, tb);
-      Complex tr = TensorRemove(trace(ta * tb));
-      std::cout << GridLogMessage << "(" << a << "," << b << ") =  " << tr
-                << std::endl;
-      if (a == b) assert(abs(tr - Complex(0.5)) < 1.0e-6);
-      if (a != b) assert(abs(tr) < 1.0e-6);
-    }
-  }
-  std::cout << GridLogMessage << std::endl;
-  std::cout << GridLogMessage << "Fundamental - Checking if hermitian"
-            << std::endl;
-  for (int a = 0; a < AlgebraDimension; a++) {
-    generator(a, ta);
-    std::cout << GridLogMessage << a << std::endl;
-    assert(norm2(ta - adj(ta)) < 1.0e-6);
-  }
-  std::cout << GridLogMessage << std::endl;
-  std::cout << GridLogMessage << "Fundamental - Checking if traceless"
-            << std::endl;
-  for (int a = 0; a < AlgebraDimension; a++) {
-    generator(a, ta);
-    Complex tr = TensorRemove(trace(ta));
-    std::cout << GridLogMessage << a << std::endl;
-    assert(abs(tr) < 1.0e-6);
-  }
-}
-
-template <int N>
-static Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > >
-ProjectOnGeneralGroup(const Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > &Umu, GroupName::Sp) {
-  return ProjectOnSpGroup(Umu);
-}
-
-template <class vtype>
-accelerator_inline static iScalar<vtype> ProjectOnGeneralGroup(const iScalar<vtype> &r, GroupName::Sp) {
-  return ProjectOnSpGroup(r);
-}
-
-template <class vtype, int N>
-accelerator_inline static iVector<vtype,N> ProjectOnGeneralGroup(const iVector<vtype,N> &r, GroupName::Sp) {
-  return ProjectOnSpGroup(r);
-}
-
-template <class vtype,int N, typename std::enable_if< GridTypeMapper<vtype>::TensorLevel == 0 >::type * =nullptr>
-accelerator_inline static iMatrix<vtype,N> ProjectOnGeneralGroup(const iMatrix<vtype,N> &arg, GroupName::Sp) {
-  return ProjectOnSpGroup(arg);
-}
-
-template <typename LatticeMatrixType>   
-static void taProj(const LatticeMatrixType &in, LatticeMatrixType &out, GroupName::Sp) {
-  out = SpTa(in);
-}
-
-public:
-
-template <ONLY_IF_Sp>
-static void Omega(LatticeColourMatrixD &in) {
-  const int nsp=ncolour/2;
-  LatticeColourMatrixD OmegaLatt(in.Grid());
-  LatticeColourMatrixD identity(in.Grid());
-  ColourMatrix Omega;
-
-  OmegaLatt = Zero();
-  Omega = Zero();
-  identity = 1.;
-
-  for (int i = 0; i < nsp; i++) {
-    Omega()()(i, nsp + i) = 1.;
-    Omega()()(nsp + i, i) = -1;
-  }
-  OmegaLatt = OmegaLatt + (identity * Omega);
-  in = OmegaLatt;
-}
-
-template <ONLY_IF_Sp, class vtype, int N>
-static void Omega(iScalar<iScalar<iMatrix<vtype, N> > > &in) {
-  const int nsp=ncolour/2;
-    
-  iScalar<iScalar<iMatrix<vtype, N> > > Omega;
-  Omega = Zero();
-
-  for (int i = 0; i < nsp; i++) {
-    Omega()()(i, nsp + i) = 1.;
-    Omega()()(nsp + i, i) = -1;
-  }
-    
-  in = Omega;
-}

Grid/qcd/utils/Utils.h

@@ -8,9 +8,9 @@
 #include <Grid/qcd/utils/ScalarObjs.h>
 
 // Include representations
-#include <Grid/qcd/utils/GaugeGroup.h>
+#include <Grid/qcd/utils/SUn.h>
 #include <Grid/qcd/utils/SUnAdjoint.h>
-#include <Grid/qcd/utils/GaugeGroupTwoIndex.h>
+#include <Grid/qcd/utils/SUnTwoIndex.h>
 
 // All-to-all contraction kernels that touch the 
 // internal lattice structure

Grid/qcd/utils/WilsonLoops.h

@@ -290,7 +290,7 @@ public:
   }
 */
   //////////////////////////////////////////////////
-  // the sum over all nu-oriented staples for nu != mu on each site
+  // the sum over all staples on each site
   //////////////////////////////////////////////////
   static void Staple(GaugeMat &staple, const GaugeLorentz &Umu, int mu) {
 
@@ -300,10 +300,6 @@ public:
     for (int d = 0; d < Nd; d++) {
       U[d] = PeekIndex<LorentzIndex>(Umu, d);
     }
-    Staple(staple, U, mu);
-  }
-
-  static void Staple(GaugeMat &staple, const std::vector<GaugeMat> &U, int mu) {
     staple = Zero();
 
     for (int nu = 0; nu < Nd; nu++) {
@@ -339,203 +335,6 @@ public:
     }
   }
 
-  /////////////
-  //Staples for each direction mu, summed over nu != mu
-  //staple: output staples for each mu (Nd)
-  //U: link array (Nd)
-  /////////////
-  static void StapleAll(std::vector<GaugeMat> &staple, const std::vector<GaugeMat> &U) {
-    assert(staple.size() == Nd); assert(U.size() == Nd);
-    for(int mu=0;mu<Nd;mu++) Staple(staple[mu], U, mu);
-  }
-
-
-  //A workspace class allowing reuse of the stencil
-  class WilsonLoopPaddedStencilWorkspace{
-    std::unique_ptr<GeneralLocalStencil> stencil;
-    size_t nshift;
-
-    void generateStencil(GridBase* padded_grid){
-      double t0 = usecond();
-      
-      //Generate shift arrays
-      std::vector<Coordinate> shifts = this->getShifts();
-      nshift = shifts.size();
-      
-      double t1 = usecond();
-      //Generate local stencil
-      stencil.reset(new GeneralLocalStencil(padded_grid,shifts));
-      double t2 = usecond();
-      std::cout << GridLogPerformance << " WilsonLoopPaddedWorkspace timings: coord:" << (t1-t0)/1000 << "ms, stencil:" << (t2-t1)/1000 << "ms" << std::endl;   
-    }
-  public:
-    //Get the stencil. If not already generated, or if generated using a different Grid than in PaddedCell, it will be created on-the-fly
-    const GeneralLocalStencil & getStencil(const PaddedCell &pcell){
-      assert(pcell.depth >= this->paddingDepth());
-      if(!stencil || stencil->Grid() != (GridBase*)pcell.grids.back() ) generateStencil((GridBase*)pcell.grids.back());
-      return *stencil;
-    }
-    size_t Nshift() const{ return nshift; }
-    
-    virtual std::vector<Coordinate> getShifts() const = 0;
-    virtual int paddingDepth() const = 0; //padding depth required
-    
-    virtual ~WilsonLoopPaddedStencilWorkspace(){}
-  };
-
-  //This workspace allows the sharing of a common PaddedCell object between multiple stencil workspaces
-  class WilsonLoopPaddedWorkspace{
-    std::vector<WilsonLoopPaddedStencilWorkspace*> stencil_wk;
-    std::unique_ptr<PaddedCell> pcell;
-
-    void generatePcell(GridBase* unpadded_grid){
-      assert(stencil_wk.size());
-      int max_depth = 0;
-      for(auto const &s : stencil_wk) max_depth=std::max(max_depth, s->paddingDepth());
-      
-      pcell.reset(new PaddedCell(max_depth, dynamic_cast<GridCartesian*>(unpadded_grid)));
-    }
-    
-  public:
-    //Add a stencil definition. This should be done before the first call to retrieve a stencil object.
-    //Takes ownership of the pointer
-    void addStencil(WilsonLoopPaddedStencilWorkspace *stencil){
-      assert(!pcell);
-      stencil_wk.push_back(stencil);
-    }
-
-    const GeneralLocalStencil & getStencil(const size_t stencil_idx, GridBase* unpadded_grid){
-      if(!pcell || pcell->unpadded_grid != unpadded_grid) generatePcell(unpadded_grid);
-      return stencil_wk[stencil_idx]->getStencil(*pcell);
-    }      
-    const PaddedCell & getPaddedCell(GridBase* unpadded_grid){
-      if(!pcell || pcell->unpadded_grid != unpadded_grid) generatePcell(unpadded_grid);
-      return *pcell;
-    }
-    
-    ~WilsonLoopPaddedWorkspace(){
-      for(auto &s : stencil_wk) delete s;
-    }
-  };
-
-  //A workspace class allowing reuse of the stencil
-  class StaplePaddedAllWorkspace: public WilsonLoopPaddedStencilWorkspace{
-  public:
-    std::vector<Coordinate> getShifts() const override{
-      std::vector<Coordinate> shifts;
-      for(int mu=0;mu<Nd;mu++){
-	for(int nu=0;nu<Nd;nu++){
-	  if(nu != mu){
-	    Coordinate shift_0(Nd,0);
-	    Coordinate shift_mu(Nd,0); shift_mu[mu]=1;
-	    Coordinate shift_nu(Nd,0); shift_nu[nu]=1;
-	    Coordinate shift_mnu(Nd,0); shift_mnu[nu]=-1;
-	    Coordinate shift_mnu_pmu(Nd,0); shift_mnu_pmu[nu]=-1; shift_mnu_pmu[mu]=1;
-      
-	    //U_nu(x+mu)U^dag_mu(x+nu) U^dag_nu(x)
-	    shifts.push_back(shift_0);
-	    shifts.push_back(shift_nu);
-	    shifts.push_back(shift_mu);
-      
-	    //U_nu^dag(x-nu+mu) U_mu^dag(x-nu) U_nu(x-nu)
-	    shifts.push_back(shift_mnu);
-	    shifts.push_back(shift_mnu);
-	    shifts.push_back(shift_mnu_pmu);
-	  }
-	}
-      }
-      return shifts;
-    }
-
-    int paddingDepth() const override{ return 1; }
-  }; 
-
-  //Padded cell implementation of the staple method for all mu, summed over nu != mu
-  //staple: output staple for each mu, summed over nu != mu (Nd)
-  //U_padded: the gauge link fields padded out using the PaddedCell class
-  //Cell: the padded cell class
-  static void StaplePaddedAll(std::vector<GaugeMat> &staple, const std::vector<GaugeMat> &U_padded, const PaddedCell &Cell) {
-    StaplePaddedAllWorkspace wk;
-    StaplePaddedAll(staple,U_padded,Cell,wk.getStencil(Cell));
-  }
-  
-  //Padded cell implementation of the staple method for all mu, summed over nu != mu
-  //staple: output staple for each mu, summed over nu != mu (Nd)
-  //U_padded: the gauge link fields padded out using the PaddedCell class
-  //Cell: the padded cell class
-  //gStencil: the precomputed generalized local stencil for the staple
-  static void StaplePaddedAll(std::vector<GaugeMat> &staple, const std::vector<GaugeMat> &U_padded, const PaddedCell &Cell, const GeneralLocalStencil &gStencil)
-  {
-    double t0 = usecond();
-    assert(U_padded.size() == Nd); assert(staple.size() == Nd);
-    assert(U_padded[0].Grid() == (GridBase*)Cell.grids.back());
-    assert(Cell.depth >= 1);
-    GridBase *ggrid = U_padded[0].Grid(); //padded cell grid
-
-    int shift_mu_off = gStencil._npoints/Nd;
-    
-    //Open views to padded gauge links and keep open over mu loop
-    typedef LatticeView<typename GaugeMat::vector_object> GaugeViewType;
-    size_t vsize = Nd*sizeof(GaugeViewType);
-    GaugeViewType* Ug_dirs_v_host = (GaugeViewType*)malloc(vsize);
-    for(int i=0;i<Nd;i++) Ug_dirs_v_host[i] = U_padded[i].View(AcceleratorRead);
-    GaugeViewType* Ug_dirs_v = (GaugeViewType*)acceleratorAllocDevice(vsize);
-    acceleratorCopyToDevice(Ug_dirs_v_host,Ug_dirs_v,vsize);
-    
-    GaugeMat gStaple(ggrid);
-
-    int outer_off = 0;
-    for(int mu=0;mu<Nd;mu++){
-      { //view scope
-	autoView( gStaple_v , gStaple, AcceleratorWrite);
-	auto gStencil_v = gStencil.View();
-	
-	accelerator_for(ss, ggrid->oSites(), (size_t)ggrid->Nsimd(), {
-	    decltype(coalescedRead(Ug_dirs_v[0][0])) stencil_ss;
-	    stencil_ss = Zero();
-	    int off = outer_off;
-	    
-	    for(int nu=0;nu<Nd;nu++){
-	      if(nu != mu){	  
-		GeneralStencilEntry const* e = gStencil_v.GetEntry(off++,ss);
-		auto U0 = adj(coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(off++,ss);
-		auto U1 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(off++,ss);
-		auto U2 = coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd);
-      
-		stencil_ss = stencil_ss + U2 * U1 * U0;
-
-		e = gStencil_v.GetEntry(off++,ss);
-		U0 = coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd);
-		e = gStencil_v.GetEntry(off++,ss);
-		U1 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(off++,ss);
-		U2 = adj(coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd));
-
-		stencil_ss = stencil_ss + U2 * U1 * U0;
-	      }
-	    }
-		
-	    coalescedWrite(gStaple_v[ss],stencil_ss);
-	  }
-	  );
-      } //ensure views are all closed!
-      
-      staple[mu] = Cell.Extract(gStaple);
-      outer_off += shift_mu_off;
-    }//mu loop
-
-    for(int i=0;i<Nd;i++) Ug_dirs_v_host[i].ViewClose();
-    free(Ug_dirs_v_host);
-    acceleratorFreeDevice(Ug_dirs_v);
-    
-    double t1=usecond();
-    
-    std::cout << GridLogPerformance << "StaplePaddedAll timing:" << (t1-t0)/1000 << "ms" << std::endl;   
-  }
-
-   
   //////////////////////////////////////////////////
   // the sum over all staples on each site in direction mu,nu, upper part
   //////////////////////////////////////////////////
@@ -908,14 +707,18 @@ public:
   // the sum over all staples on each site
   //////////////////////////////////////////////////
   static void RectStapleDouble(GaugeMat &U2, const GaugeMat &U, int mu) {
-    U2 = U * Gimpl::CshiftLink(U, mu, 1);
+    U2 = U * Cshift(U, mu, 1);
   }
 
   ////////////////////////////////////////////////////////////////////////////
-  // Hop by two optimisation strategy. Use RectStapleDouble to obtain 'U2'
+  // Hop by two optimisation strategy does not work nicely with Gparity. (could
+  // do,
+  // but need to track two deep where cross boundary and apply a conjugation).
+  // Must differentiate this in Gimpl, and use Gimpl::isPeriodicGaugeField to do
+  // so .
   ////////////////////////////////////////////////////////////////////////////
-  static void RectStapleOptimised(GaugeMat &Stap, const std::vector<GaugeMat> &U2,
+  static void RectStapleOptimised(GaugeMat &Stap, std::vector<GaugeMat> &U2,
-                                  const std::vector<GaugeMat> &U, int mu) {
+                                  std::vector<GaugeMat> &U, int mu) {
 
     Stap = Zero();
 
@@ -929,9 +732,9 @@ public:
 
         // Up staple    ___ ___
         //             |       |
-        tmp = Gimpl::CshiftLink(adj(U[nu]), nu, -1);
+        tmp = Cshift(adj(U[nu]), nu, -1);
         tmp = adj(U2[mu]) * tmp;
-        tmp = Gimpl::CshiftLink(tmp, mu, -2);
+        tmp = Cshift(tmp, mu, -2);
 
         Staple2x1 = Gimpl::CovShiftForward(U[nu], nu, tmp);
 
@@ -939,14 +742,14 @@ public:
         //             |___ ___|
         //
         tmp = adj(U2[mu]) * U[nu];
-        Staple2x1 += Gimpl::CovShiftBackward(U[nu], nu, Gimpl::CshiftLink(tmp, mu, -2));
+        Staple2x1 += Gimpl::CovShiftBackward(U[nu], nu, Cshift(tmp, mu, -2));
 
         //              ___ ___
         //             |    ___|
         //             |___ ___|
         //
 
-        Stap += Gimpl::CshiftLink(Gimpl::CovShiftForward(U[mu], mu, Staple2x1), mu, 1);
+        Stap += Cshift(Gimpl::CovShiftForward(U[mu], mu, Staple2x1), mu, 1);
 
         //              ___ ___
         //             |___    |
@@ -955,7 +758,7 @@ public:
 
         //  tmp= Staple2x1* Cshift(U[mu],mu,-2);
         //  Stap+= Cshift(tmp,mu,1) ;
-        Stap += Gimpl::CshiftLink(Staple2x1, mu, 1) * Gimpl::CshiftLink(U[mu], mu, -1);
+        Stap += Cshift(Staple2x1, mu, 1) * Cshift(U[mu], mu, -1);
         ;
 
         //       --
@@ -963,10 +766,10 @@ public:
         //
         //      |  |
 
-        tmp = Gimpl::CshiftLink(adj(U2[nu]), nu, -2);
+        tmp = Cshift(adj(U2[nu]), nu, -2);
         tmp = Gimpl::CovShiftBackward(U[mu], mu, tmp);
-        tmp = U2[nu] * Gimpl::CshiftLink(tmp, nu, 2);
+        tmp = U2[nu] * Cshift(tmp, nu, 2);
-        Stap += Gimpl::CshiftLink(tmp, mu, 1);
+        Stap += Cshift(tmp, mu, 1);
 
         //      |  |
         //
@@ -975,12 +778,25 @@ public:
 
         tmp = Gimpl::CovShiftBackward(U[mu], mu, U2[nu]);
         tmp = adj(U2[nu]) * tmp;
-        tmp = Gimpl::CshiftLink(tmp, nu, -2);
+        tmp = Cshift(tmp, nu, -2);
-        Stap += Gimpl::CshiftLink(tmp, mu, 1);
+        Stap += Cshift(tmp, mu, 1);
       }
     }
   }
 
+  static void RectStaple(GaugeMat &Stap, const GaugeLorentz &Umu, int mu) {
+    RectStapleUnoptimised(Stap, Umu, mu);
+  }
+  static void RectStaple(const GaugeLorentz &Umu, GaugeMat &Stap,
+                         std::vector<GaugeMat> &U2, std::vector<GaugeMat> &U,
+                         int mu) {
+    if (Gimpl::isPeriodicGaugeField()) {
+      RectStapleOptimised(Stap, U2, U, mu);
+    } else {
+      RectStapleUnoptimised(Stap, Umu, mu);
+    }
+  }
+
   static void RectStapleUnoptimised(GaugeMat &Stap, const GaugeLorentz &Umu,
                                     int mu) {
     GridBase *grid = Umu.Grid();
@@ -1079,288 +895,6 @@ public:
     }
   }
 
-  static void RectStaple(GaugeMat &Stap, const GaugeLorentz &Umu, int mu) {
-    RectStapleUnoptimised(Stap, Umu, mu);
-  }
-  static void RectStaple(const GaugeLorentz &Umu, GaugeMat &Stap,
-                         std::vector<GaugeMat> &U2, std::vector<GaugeMat> &U,
-                         int mu) {
-    RectStapleOptimised(Stap, U2, U, mu);
-  }
-  //////////////////////////////////////////////////////
-  //Compute the rectangular staples for all orientations
-  //Stap : Array of staples (Nd)
-  //U: Gauge links in each direction (Nd)
-  /////////////////////////////////////////////////////
-  static void RectStapleAll(std::vector<GaugeMat> &Stap, const std::vector<GaugeMat> &U){
-    assert(Stap.size() == Nd); assert(U.size() == Nd);
-    std::vector<GaugeMat> U2(Nd,U[0].Grid());
-    for(int mu=0;mu<Nd;mu++) RectStapleDouble(U2[mu], U[mu], mu);
-    for(int mu=0;mu<Nd;mu++) RectStapleOptimised(Stap[mu], U2, U, mu);
-  }
-
-  //A workspace class allowing reuse of the stencil
-  class RectStaplePaddedAllWorkspace: public WilsonLoopPaddedStencilWorkspace{
-  public:
-    std::vector<Coordinate> getShifts() const override{
-      std::vector<Coordinate> shifts;
-      for (int mu = 0; mu < Nd; mu++){
-	for (int nu = 0; nu < Nd; nu++) {
-	  if (nu != mu) {
-	    auto genShift = [&](int mushift,int nushift){
-	      Coordinate out(Nd,0); out[mu]=mushift; out[nu]=nushift; return out;
-	    };
-
-	    //tmp6 = tmp5(x+mu) = U_mu(x+mu)U_nu(x+2mu)U_mu^dag(x+nu+mu) U_mu^dag(x+nu) U_nu^dag(x)
-	    shifts.push_back(genShift(0,0));
-	    shifts.push_back(genShift(0,+1));
-	    shifts.push_back(genShift(+1,+1));
-	    shifts.push_back(genShift(+2,0));
-	    shifts.push_back(genShift(+1,0));
-
-	    //tmp5 = tmp4(x+mu) = U_mu(x+mu)U^dag_nu(x-nu+2mu)U^dag_mu(x-nu+mu)U^dag_mu(x-nu)U_nu(x-nu)
-	    shifts.push_back(genShift(0,-1));
-	    shifts.push_back(genShift(0,-1));
-	    shifts.push_back(genShift(+1,-1));
-	    shifts.push_back(genShift(+2,-1));
-	    shifts.push_back(genShift(+1,0));
-
-	    //tmp5 = tmp4(x+mu) = U^dag_nu(x-nu+mu)U^dag_mu(x-nu)U^dag_mu(x-mu-nu)U_nu(x-mu-nu)U_mu(x-mu)
-	    shifts.push_back(genShift(-1,0));
-	    shifts.push_back(genShift(-1,-1));
-	    shifts.push_back(genShift(-1,-1));
-	    shifts.push_back(genShift(0,-1));
-	    shifts.push_back(genShift(+1,-1));
-
-	    //tmp5 = tmp4(x+mu) = U_nu(x+mu)U_mu^dag(x+nu)U_mu^dag(x-mu+nu)U_nu^dag(x-mu)U_mu(x-mu)
-	    shifts.push_back(genShift(-1,0));
-	    shifts.push_back(genShift(-1,0));
-	    shifts.push_back(genShift(-1,+1));
-	    shifts.push_back(genShift(0,+1));
-	    shifts.push_back(genShift(+1,0));
-
-	    //tmp6 = tmp5(x+mu) = U_nu(x+mu)U_nu(x+mu+nu)U_mu^dag(x+2nu)U_nu^dag(x+nu)U_nu^dag(x)
-	    shifts.push_back(genShift(0,0));
-	    shifts.push_back(genShift(0,+1));
-	    shifts.push_back(genShift(0,+2));
-	    shifts.push_back(genShift(+1,+1));
-	    shifts.push_back(genShift(+1,0));
-
-	    //tmp5 = tmp4(x+mu) = U_nu^dag(x+mu-nu)U_nu^dag(x+mu-2nu)U_mu^dag(x-2nu)U_nu(x-2nu)U_nu(x-nu)
-	    shifts.push_back(genShift(0,-1));
-	    shifts.push_back(genShift(0,-2));
-	    shifts.push_back(genShift(0,-2));
-	    shifts.push_back(genShift(+1,-2));
-	    shifts.push_back(genShift(+1,-1));
-	  }
-	}
-      }
-      return shifts;
-    }
-
-    int paddingDepth() const override{ return 2; }
-  }; 
-
-  //Padded cell implementation of the rectangular staple method for all mu, summed over nu != mu
-  //staple: output staple for each mu, summed over nu != mu (Nd)
-  //U_padded: the gauge link fields padded out using the PaddedCell class
-  //Cell: the padded cell class
-  static void RectStaplePaddedAll(std::vector<GaugeMat> &staple, const std::vector<GaugeMat> &U_padded, const PaddedCell &Cell) {
-    RectStaplePaddedAllWorkspace wk;
-    RectStaplePaddedAll(staple,U_padded,Cell,wk.getStencil(Cell));
-  }
-  
-  //Padded cell implementation of the rectangular staple method for all mu, summed over nu != mu
-  //staple: output staple for each mu, summed over nu != mu (Nd)
-  //U_padded: the gauge link fields padded out using the PaddedCell class
-  //Cell: the padded cell class
-  //gStencil: the stencil
-  static void RectStaplePaddedAll(std::vector<GaugeMat> &staple, const std::vector<GaugeMat> &U_padded, const PaddedCell &Cell, const GeneralLocalStencil &gStencil) {
-    double t0 = usecond();
-    assert(U_padded.size() == Nd); assert(staple.size() == Nd);
-    assert(U_padded[0].Grid() == (GridBase*)Cell.grids.back());
-    assert(Cell.depth >= 2);
-    GridBase *ggrid = U_padded[0].Grid(); //padded cell grid
-
-    size_t nshift = gStencil._npoints;
-    int mu_off_delta = nshift / Nd;
-    
-    //Open views to padded gauge links and keep open over mu loop
-    typedef LatticeView<typename GaugeMat::vector_object> GaugeViewType;
-    size_t vsize = Nd*sizeof(GaugeViewType);
-    GaugeViewType* Ug_dirs_v_host = (GaugeViewType*)malloc(vsize);
-    for(int i=0;i<Nd;i++) Ug_dirs_v_host[i] = U_padded[i].View(AcceleratorRead);
-    GaugeViewType* Ug_dirs_v = (GaugeViewType*)acceleratorAllocDevice(vsize);
-    acceleratorCopyToDevice(Ug_dirs_v_host,Ug_dirs_v,vsize);
-
-    GaugeMat gStaple(ggrid); //temp staple object on padded grid
-
-    int offset = 0;
-    for(int mu=0; mu<Nd; mu++){
-
-      { //view scope
-	autoView( gStaple_v , gStaple, AcceleratorWrite);
-	auto gStencil_v = gStencil.View();
-
-	accelerator_for(ss, ggrid->oSites(), (size_t)ggrid->Nsimd(), {
-	    decltype(coalescedRead(Ug_dirs_v[0][0])) stencil_ss;
-	    stencil_ss = Zero();
-	    int s=offset;
-	    for(int nu=0;nu<Nd;nu++){
-	      if(nu != mu){
-		//tmp6 = tmp5(x+mu) = U_mu(x+mu)U_nu(x+2mu)U_mu^dag(x+nu+mu) U_mu^dag(x+nu) U_nu^dag(x)
-		GeneralStencilEntry const* e = gStencil_v.GetEntry(s++,ss);
-		auto U0 = adj(coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		auto U1 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		auto U2 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		auto U3 = coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd);
-		e = gStencil_v.GetEntry(s++,ss);
-		auto U4 = coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd);
-	    
-		stencil_ss = stencil_ss + U4*U3*U2*U1*U0;
-
-		//tmp5 = tmp4(x+mu) = U_mu(x+mu)U^dag_nu(x-nu+2mu)U^dag_mu(x-nu+mu)U^dag_mu(x-nu)U_nu(x-nu)
-		e = gStencil_v.GetEntry(s++,ss);
-		U0 = coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd);
-		e = gStencil_v.GetEntry(s++,ss);
-		U1 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U2 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U3 = adj(coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U4 = coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd);
-
-		stencil_ss = stencil_ss + U4*U3*U2*U1*U0;
-
-		//tmp5 = tmp4(x+mu) = U^dag_nu(x-nu+mu)U^dag_mu(x-nu)U^dag_mu(x-mu-nu)U_nu(x-mu-nu)U_mu(x-mu)
-		e = gStencil_v.GetEntry(s++,ss);
-		U0 = coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd);
-		e = gStencil_v.GetEntry(s++,ss);
-		U1 = coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd);
-		e = gStencil_v.GetEntry(s++,ss);
-		U2 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U3 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U4 = adj(coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd));
-
-		stencil_ss = stencil_ss + U4*U3*U2*U1*U0;
-
-		//tmp5 = tmp4(x+mu) = U_nu(x+mu)U_mu^dag(x+nu)U_mu^dag(x-mu+nu)U_nu^dag(x-mu)U_mu(x-mu)
-		e = gStencil_v.GetEntry(s++,ss);
-		U0 = coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd);
-		e = gStencil_v.GetEntry(s++,ss);
-		U1 = adj(coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U2 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U3 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U4 = coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd);
-
-		stencil_ss = stencil_ss + U4*U3*U2*U1*U0;
-
-		//tmp6 = tmp5(x+mu) = U_nu(x+mu)U_nu(x+mu+nu)U_mu^dag(x+2nu)U_nu^dag(x+nu)U_nu^dag(x)
-		e = gStencil_v.GetEntry(s++,ss);
-		U0 = adj(coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U1 = adj(coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U2 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U3 = coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd);
-		e = gStencil_v.GetEntry(s++,ss);
-		U4 = coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd);
-
-		stencil_ss = stencil_ss + U4*U3*U2*U1*U0;   
-
-		//tmp5 = tmp4(x+mu) = U_nu^dag(x+mu-nu)U_nu^dag(x+mu-2nu)U_mu^dag(x-2nu)U_nu(x-2nu)U_nu(x-nu)
-		e = gStencil_v.GetEntry(s++,ss);
-		U0 = coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd);
-		e = gStencil_v.GetEntry(s++,ss);
-		U1 = coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd);
-		e = gStencil_v.GetEntry(s++,ss);
-		U2 = adj(coalescedReadGeneralPermute(Ug_dirs_v[mu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U3 = adj(coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd));
-		e = gStencil_v.GetEntry(s++,ss);
-		U4 = adj(coalescedReadGeneralPermute(Ug_dirs_v[nu][e->_offset], e->_permute, Nd));
-
-		stencil_ss = stencil_ss + U4*U3*U2*U1*U0;   
-
-	      }
-	    }
-	    coalescedWrite(gStaple_v[ss],stencil_ss);
-	  }
-	  );
-	offset += mu_off_delta;
-      }//kernel/view scope
-
-      staple[mu] = Cell.Extract(gStaple);    
-    }//mu loop
-  
-    for(int i=0;i<Nd;i++) Ug_dirs_v_host[i].ViewClose();
-    free(Ug_dirs_v_host);
-    acceleratorFreeDevice(Ug_dirs_v);
-    
-    double t1 = usecond();
-    
-    std::cout << GridLogPerformance << "RectStaplePaddedAll timings:" << (t1-t0)/1000 << "ms" << std::endl;   
-  }
-
-  //A workspace for reusing the PaddedCell and GeneralLocalStencil objects
-  class StapleAndRectStapleAllWorkspace: public WilsonLoopPaddedWorkspace{
-  public:
-    StapleAndRectStapleAllWorkspace(){
-      this->addStencil(new StaplePaddedAllWorkspace);
-      this->addStencil(new RectStaplePaddedAllWorkspace);
-    }
-  };     
-    
-  //////////////////////////////////////////////////////
-  //Compute the 1x1 and 1x2 staples for all orientations
-  //Stap : Array of staples (Nd)
-  //RectStap: Array of rectangular staples (Nd)
-  //U: Gauge links in each direction (Nd)
-  /////////////////////////////////////////////////////
-  static void StapleAndRectStapleAll(std::vector<GaugeMat> &Stap, std::vector<GaugeMat> &RectStap, const std::vector<GaugeMat> &U){
-    StapleAndRectStapleAllWorkspace wk;
-    StapleAndRectStapleAll(Stap,RectStap,U,wk);
-  }
-  
-  //////////////////////////////////////////////////////
-  //Compute the 1x1 and 1x2 staples for all orientations
-  //Stap : Array of staples (Nd)
-  //RectStap: Array of rectangular staples (Nd)
-  //U: Gauge links in each direction (Nd)
-  //wk: a workspace containing stored PaddedCell and GeneralLocalStencil objects to maximize reuse
-  /////////////////////////////////////////////////////
-  static void StapleAndRectStapleAll(std::vector<GaugeMat> &Stap, std::vector<GaugeMat> &RectStap, const std::vector<GaugeMat> &U, StapleAndRectStapleAllWorkspace &wk){
-#if 0
-    StapleAll(Stap, U);
-    RectStapleAll(RectStap, U);
-#else
-    double t0 = usecond();
-
-    GridCartesian* unpadded_grid = dynamic_cast<GridCartesian*>(U[0].Grid());
-    const PaddedCell &Ghost = wk.getPaddedCell(unpadded_grid);
-        
-    CshiftImplGauge<Gimpl> cshift_impl;
-    std::vector<GaugeMat> U_pad(Nd, Ghost.grids.back());
-    for(int mu=0;mu<Nd;mu++) U_pad[mu] = Ghost.Exchange(U[mu], cshift_impl);
-    double t1 = usecond();
-    StaplePaddedAll(Stap, U_pad, Ghost, wk.getStencil(0,unpadded_grid) );
-    double t2 = usecond();
-    RectStaplePaddedAll(RectStap, U_pad, Ghost, wk.getStencil(1,unpadded_grid));
-    double t3 = usecond();
-    std::cout << GridLogPerformance << "StapleAndRectStapleAll timings: pad:" << (t1-t0)/1000 << "ms, staple:" << (t2-t1)/1000 << "ms, rect-staple:" << (t3-t2)/1000 << "ms" << std::endl;
-#endif
-  }
-
   //////////////////////////////////////////////////
   // Wilson loop of size (R1, R2), oriented in mu,nu plane
   //////////////////////////////////////////////////

Grid/stencil/GeneralLocalStencil.h

@@ -43,7 +43,7 @@ class GeneralLocalStencilView {
   int                               _npoints; // Move to template param?
   GeneralStencilEntry*  _entries_p;
 
-  accelerator_inline GeneralStencilEntry * GetEntry(int point,int osite) const { 
+  accelerator_inline GeneralStencilEntry * GetEntry(int point,int osite) { 
     return & this->_entries_p[point+this->_npoints*osite]; 
   }
 
@@ -79,10 +79,10 @@ public:
     this->_entries.resize(npoints* osites);
     this->_entries_p = &_entries[0];
 
-    thread_for(site, osites, {
+
     Coordinate Coor;
     Coordinate NbrCoor;
-
+    for(Integer site=0;site<osites;site++){
       for(Integer ii=0;ii<npoints;ii++){
 	Integer lex = site*npoints+ii;
 	GeneralStencilEntry SE;
@@ -123,7 +123,7 @@ public:
 	  }
 	  if ( permute_slice ) {
 	    int ptype       =grid->PermuteType(d);
-	      uint8_t mask    =0x1<<ptype;
+	    uint8_t mask    =grid->Nsimd() >> (ptype + 1);		
 	    SE._permute    |= mask;
 	  }
 	}	
@@ -132,7 +132,7 @@ public:
 	////////////////////////////////////////////////
 	this->_entries[lex] = SE;
       }
-      });
+    }      
   }
   
 };

Grid/stencil/Stencil.h

@@ -32,7 +32,6 @@
 
 #include <Grid/stencil/SimpleCompressor.h>   // subdir aggregate
 #include <Grid/stencil/Lebesgue.h>   // subdir aggregate
-#include <Grid/stencil/GeneralLocalStencil.h>
 
 //////////////////////////////////////////////////////////////////////////////////////////
 // Must not lose sight that goal is to be able to construct really efficient
@@ -452,6 +451,7 @@ public:
     else if ( this->fullDirichlet ) DslashLogDirichlet();
     else DslashLogFull();
     acceleratorCopySynchronise();
+    // Everyone agrees we are all done
     _grid->StencilBarrier(); 
   }
   ////////////////////////////////////////////////////////////////////////
@@ -540,7 +540,6 @@ public:
       compress.Point(point);
       HaloGatherDir(source,compress,point,face_idx);
     }
-    accelerator_barrier();
     face_table_computed=1;
     assert(u_comm_offset==_unified_buffer_size);
 
@@ -706,7 +705,7 @@ public:
 	}
       }
     }
-    std::cout << GridLogDebug << "BuildSurfaceList size is "<<surface_list.size()<<std::endl;
+    std::cout << "BuildSurfaceList size is "<<surface_list.size()<<std::endl;
   }
   /// Introduce a block structure and switch off comms on boundaries
   void DirichletBlock(const Coordinate &dirichlet_block)

Grid/tensors/Tensor_SIMT.h

@@ -73,16 +73,6 @@ vobj coalescedReadPermute(const vobj & __restrict__ vec,int ptype,int doperm,int
     return vec;
   }
 }
-//'perm_mask' acts as a bitmask
-template<class vobj> accelerator_inline
-vobj coalescedReadGeneralPermute(const vobj & __restrict__ vec,int perm_mask,int nd,int lane=0)
-{
-  auto obj = vec, tmp = vec;
-  for (int d=0;d<nd;d++)
-    if (perm_mask & (0x1 << d)) { permute(obj,tmp,d); tmp=obj;}
-  return obj;
-}
-
 template<class vobj> accelerator_inline
 void coalescedWrite(vobj & __restrict__ vec,const vobj & __restrict__ extracted,int lane=0)
 {
@@ -93,7 +83,7 @@ void coalescedWriteNonTemporal(vobj & __restrict__ vec,const vobj & __restrict__
 {
   vstream(vec, extracted);
 }
-#else //==GRID_SIMT
+#else
 
 
 //#ifndef GRID_SYCL
@@ -176,14 +166,6 @@ typename vobj::scalar_object coalescedReadPermute(const vobj & __restrict__ vec,
   return extractLane(plane,vec);
 }
 template<class vobj> accelerator_inline
-typename vobj::scalar_object coalescedReadGeneralPermute(const vobj & __restrict__ vec,int perm_mask,int nd,int lane=acceleratorSIMTlane(vobj::Nsimd()))
-{
-  int plane = lane;
-  for (int d=0;d<nd;d++)
-    plane = (perm_mask & (0x1 << d)) ? plane ^ (vobj::Nsimd() >> (d + 1)) : plane;
-  return extractLane(plane,vec);
-}
-template<class vobj> accelerator_inline
 void coalescedWrite(vobj & __restrict__ vec,const typename vobj::scalar_object & __restrict__ extracted,int lane=acceleratorSIMTlane(vobj::Nsimd()))
 {
   insertLane(lane,vec,extracted);

Grid/tensors/Tensor_Ta.h

@@ -66,61 +66,13 @@ template<class vtype,int N> accelerator_inline iMatrix<vtype,N> Ta(const iMatrix
   return ret;
 }
 
-template<class vtype> accelerator_inline iScalar<vtype> SpTa(const iScalar<vtype>&r)
-{
-  iScalar<vtype> ret;
-  ret._internal = SpTa(r._internal);
-  return ret;
-}
-template<class vtype,int N> accelerator_inline iVector<vtype,N> SpTa(const iVector<vtype,N>&r)
-{
-  iVector<vtype,N> ret;
-  for(int i=0;i<N;i++){
-    ret._internal[i] = SpTa(r._internal[i]);
-  }
-  return ret;
-}
-template<class vtype,int N, typename std::enable_if< GridTypeMapper<vtype>::TensorLevel == 0 >::type * =nullptr>
-accelerator_inline iMatrix<vtype,N> SpTa(const iMatrix<vtype,N> &arg)
-{
-  // Generalises Ta to Sp2n
-  // Applies the following projections
-  // P_{antihermitian} P_{antihermitian-Sp-algebra} P_{traceless}
-  // where the ordering matters
-  // P_{traceless} subtracts the trace
-  // P_{antihermitian-Sp-algebra} provides the block structure of the algebra based on U = exp(T) i.e. anti-hermitian generators
-  // P_{antihermitian} does in-adj(in) / 2
-  iMatrix<vtype,N> ret(arg);
-  double factor = (1.0/(double)N);
-  vtype nrm;
-  nrm = 0.5;
-    
-  ret = arg - (trace(arg)*factor);
-    
-  for(int c1=0;c1<N/2;c1++)
-  {
-      for(int c2=0;c2<N/2;c2++)
-      {
-          ret._internal[c1][c2] = nrm*(conjugate(ret._internal[c1+N/2][c2+N/2]) + ret._internal[c1][c2]); // new[up-left] = old[up-left]+old*[down-right]
-          ret._internal[c1][c2+N/2] = nrm*(ret._internal[c1][c2+N/2] - conjugate(ret._internal[c1+N/2][c2])); // new[up-right] = old[up-right]-old*[down-left]
-      }
-      for(int c2=N/2;c2<N;c2++)
-      {
-          ret._internal[c1+N/2][c2-N/2] = -conjugate(ret._internal[c1][c2]);  //  reconstructs lower blocks
-          ret._internal[c1+N/2][c2] = conjugate(ret._internal[c1][c2-N/2]);   //  from upper blocks
-      }
-  }
-    
-  ret = (ret - adj(ret))*0.5;
-
-  return ret;
-}
 
 /////////////////////////////////////////////// 
 // ProjectOnGroup function for scalar, vector, matrix 
 // Projects on orthogonal, unitary group
 /////////////////////////////////////////////// 
 
+
 template<class vtype> accelerator_inline iScalar<vtype> ProjectOnGroup(const iScalar<vtype>&r)
 {
   iScalar<vtype> ret;
@@ -138,12 +90,10 @@ template<class vtype,int N> accelerator_inline iVector<vtype,N> ProjectOnGroup(c
 template<class vtype,int N, typename std::enable_if< GridTypeMapper<vtype>::TensorLevel == 0 >::type * =nullptr> 
 accelerator_inline iMatrix<vtype,N> ProjectOnGroup(const iMatrix<vtype,N> &arg)
 {
-  typedef typename iMatrix<vtype,N>::scalar_type scalar;
   // need a check for the group type?
   iMatrix<vtype,N> ret(arg);
   vtype nrm;
   vtype inner;
-  scalar one(1.0);
   for(int c1=0;c1<N;c1++){
 
     // Normalises row c1
@@ -152,7 +102,7 @@ accelerator_inline iMatrix<vtype,N> ProjectOnGroup(const iMatrix<vtype,N> &arg)
       inner += innerProduct(ret._internal[c1][c2],ret._internal[c1][c2]);
 
     nrm = sqrt(inner);
-    nrm = one/nrm;
+    nrm = 1.0/nrm;
     for(int c2=0;c2<N;c2++)
       ret._internal[c1][c2]*= nrm;
       
@@ -177,7 +127,7 @@ accelerator_inline iMatrix<vtype,N> ProjectOnGroup(const iMatrix<vtype,N> &arg)
       inner += innerProduct(ret._internal[c1][c2],ret._internal[c1][c2]);
 
     nrm = sqrt(inner);
-    nrm = one/nrm;
+    nrm = 1.0/nrm;
     for(int c2=0;c2<N;c2++)
       ret._internal[c1][c2]*= nrm;
   }
@@ -185,85 +135,6 @@ accelerator_inline iMatrix<vtype,N> ProjectOnGroup(const iMatrix<vtype,N> &arg)
   return ret;
 }
 
-// re-do for sp2n
-
-// Ta cannot be defined here for Sp2n because I need the generators from the Sp class
-// It is defined in gauge impl types
-
-template<class vtype> accelerator_inline iScalar<vtype> ProjectOnSpGroup(const iScalar<vtype>&r)
-{
-  iScalar<vtype> ret;
-  ret._internal = ProjectOnSpGroup(r._internal);
-  return ret;
-}
-template<class vtype,int N> accelerator_inline iVector<vtype,N> ProjectOnSpGroup(const iVector<vtype,N>&r)
-{
-  iVector<vtype,N> ret;
-  for(int i=0;i<N;i++){
-    ret._internal[i] = ProjectOnSpGroup(r._internal[i]);
-  }
-  return ret;
-}
-
-
-// int N is 2n in Sp(2n)
-template<class vtype,int N, typename std::enable_if< GridTypeMapper<vtype>::TensorLevel == 0 >::type * =nullptr>
-accelerator_inline iMatrix<vtype,N> ProjectOnSpGroup(const iMatrix<vtype,N> &arg)
-{
-  // need a check for the group type?
-  iMatrix<vtype,N> ret(arg);
-  vtype nrm;
-  vtype inner;
-  
-  for(int c1=0;c1<N/2;c1++)
-  {
-      
-    for (int b=0; b<c1; b++)                  // remove the b-rows from U_c1
-    {
-      decltype(ret._internal[b][b]*ret._internal[b][b]) pr;
-      decltype(ret._internal[b][b]*ret._internal[b][b]) prn;
-      zeroit(pr);
-      zeroit(prn);
-          
-      for(int c=0; c<N; c++)
-      {
-        pr += conjugate(ret._internal[c1][c])*ret._internal[b][c];        // <U_c1 | U_b >
-        prn += conjugate(ret._internal[c1][c])*ret._internal[b+N/2][c];   // <U_c1 | U_{b+N} >
-      }
-       
-
-      for(int c=0; c<N; c++)
-      {
-        ret._internal[c1][c] -= (conjugate(pr) * ret._internal[b][c] + conjugate(prn) * ret._internal[b+N/2][c] );    //  U_c1 -= (  <U_c1 | U_b > U_b + <U_c1 | U_{b+N} > U_{b+N}  )
-      }
-    }
-    
-    zeroit(inner);
-    for(int c2=0;c2<N;c2++)
-    {
-      inner += innerProduct(ret._internal[c1][c2],ret._internal[c1][c2]);
-    }
-      
-    nrm = sqrt(inner);
-    nrm = 1.0/nrm;
-    for(int c2=0;c2<N;c2++)
-    {
-      ret._internal[c1][c2]*= nrm;
-    }
-      
-    for(int c2=0;c2<N/2;c2++)
-    {
-      ret._internal[c1+N/2][c2+N/2] = conjugate(ret._internal[c1][c2]);          // down right in the new matrix = (up-left)* of the old matrix
-    }
-      
-    for(int c2=N/2;c2<N;c2++)
-    {
-      ret._internal[c1+N/2][c2-N/2] = -conjugate(ret._internal[c1][c2]);;     // down left in the new matrix = -(up-right)* of the old
-    }
-  }
-  return ret;
-}
-
 NAMESPACE_END(Grid);
 
 #endif

Grid/tensors/Tensor_exp.h

@@ -53,8 +53,9 @@ template<class vtype, int N> accelerator_inline iVector<vtype, N> Exponentiate(c
 }
 
 
+
 // Specialisation: Cayley-Hamilton exponential for SU(3)
-#if 0
+#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 )
 {

HMC/FTHMC2p1f.cc

@@ -1,224 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Copyright (C) 2023
-
-Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/Grid.h>
-#include <Grid/qcd/smearing/GaugeConfigurationMasked.h>
-#include <Grid/qcd/smearing/JacobianAction.h>
-
-using namespace Grid;
-
-int main(int argc, char **argv)
-{
-  std::cout << std::setprecision(12);
-  
-  Grid_init(&argc, &argv);
-  int threads = GridThread::GetThreads();
-  // here make a routine to print all the relevant information on the run
-  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
-
-   // Typedefs to simplify notation
-  typedef WilsonImplR FermionImplPolicy;
-  typedef MobiusFermionD FermionAction;
-  typedef typename FermionAction::FermionField FermionField;
-
-  typedef Grid::XmlReader       Serialiser;
-
-  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
-  IntegratorParameters MD;
-  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
-  //  MD.name    = std::string("Leap Frog");
-  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
-  //  MD.name    = std::string("Force Gradient");
-  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
-  MD.name    = std::string("MinimumNorm2");
-  MD.MDsteps = 12;
-  MD.trajL   = 1.0;
-
-  HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = 0;
-  HMCparams.Trajectories     = 200;
-  HMCparams.NoMetropolisUntil=  20;
-  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
-  HMCparams.StartingType     =std::string("HotStart");
-  HMCparams.MD = MD;
-  HMCWrapper TheHMC(HMCparams);
-
-  // Grid from the command line arguments --grid and --mpi
-  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
-
-  CheckpointerParameters CPparams;
-  CPparams.config_prefix = "ckpoint_EODWF_lat";
-  CPparams.smeared_prefix = "ckpoint_EODWF_lat_smr";
-  CPparams.rng_prefix    = "ckpoint_EODWF_rng";
-  CPparams.saveInterval  = 1;
-  CPparams.saveSmeared   = true;
-  CPparams.format        = "IEEE64BIG";
-  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
-
-  RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = "1 2 3 4 5";
-  RNGpar.parallel_seeds = "6 7 8 9 10";
-  TheHMC.Resources.SetRNGSeeds(RNGpar);
-
-  // Construct observables
-  // here there is too much indirection
-  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
-  TheHMC.Resources.AddObservable<PlaqObs>();
-  //////////////////////////////////////////////
-
-  const int Ls      = 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; // Scale factor two
-  RealD c   = 0.0;
-
-  OneFlavourRationalParams OFRp;
-  OFRp.lo       = 1.0e-2;
-  OFRp.hi       = 64;
-  OFRp.MaxIter  = 10000;
-  OFRp.tolerance= 1.0e-10;
-  OFRp.degree   = 14;
-  OFRp.precision= 40;
-
-  std::vector<Real> hasenbusch({ 0.1 });
-
-  auto GridPtr   = TheHMC.Resources.GetCartesian();
-  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
-  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
-  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
-
-  IwasakiGaugeActionR GaugeAction(beta);
-
-  // temporarily need a gauge field
-  LatticeGaugeField U(GridPtr);
-  LatticeGaugeField Uhot(GridPtr);
-
-  // These lines are unecessary if BC are all periodic
-  std::vector<Complex> boundary = {1,1,1,-1};
-  FermionAction::ImplParams Params(boundary);
-
-  double StoppingCondition = 1e-10;
-  double MaxCGIterations = 30000;
-  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
-
-  bool ApplySmearing = true;
-  
-  ////////////////////////////////////
-  // Collect actions
-  ////////////////////////////////////
-  ActionLevel<HMCWrapper::Field> Level1(1);
-  ActionLevel<HMCWrapper::Field> Level2(2);
-  ActionLevel<HMCWrapper::Field> Level3(4);
-
-  ////////////////////////////////////
-  // Strange action
-  ////////////////////////////////////
-
-  MobiusEOFAFermionD Strange_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
-  MobiusEOFAFermionD Strange_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
-  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
-    EOFA(Strange_Op_L, Strange_Op_R, 
-	 CG,
-	 CG, CG,
-	 CG, CG, 
-	 OFRp, false);
-
-  EOFA.is_smeared = ApplySmearing;
-  Level1.push_back(&EOFA);
-
-  ////////////////////////////////////
-  // up down action
-  ////////////////////////////////////
-  std::vector<Real> light_den;
-  std::vector<Real> light_num;
-
-  int n_hasenbusch = hasenbusch.size();
-  light_den.push_back(light_mass);
-  for(int h=0;h<n_hasenbusch;h++){
-    light_den.push_back(hasenbusch[h]);
-    light_num.push_back(hasenbusch[h]);
-  }
-  light_num.push_back(pv_mass);
-
-  std::vector<FermionAction *> Numerators;
-  std::vector<FermionAction *> Denominators;
-  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
-
-  for(int h=0;h<n_hasenbusch+1;h++){
-    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
-    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
-    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
-    Quotients.push_back   (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
-  }
-
-  for(int h=0;h<n_hasenbusch+1;h++){
-    Quotients[h]->is_smeared = ApplySmearing;
-    Level1.push_back(Quotients[h]);
-  }
-
-  /////////////////////////////////////////////////////////////
-  // lnDetJacobianAction
-  /////////////////////////////////////////////////////////////
-  double rho = 0.1;  // smearing parameter
-  int Nsmear = 1;    // number of smearing levels - must be multiple of 2Nd
-  int Nstep  = 8*Nsmear;    // number of smearing levels - must be multiple of 2Nd
-  Smear_Stout<HMCWrapper::ImplPolicy> Stout(rho);
-  SmearedConfigurationMasked<HMCWrapper::ImplPolicy> SmearingPolicy(GridPtr, Nstep, Stout);
-  JacobianAction<HMCWrapper::ImplPolicy> Jacobian(&SmearingPolicy);
-  if( ApplySmearing ) Level2.push_back(&Jacobian);
-  std::cout << GridLogMessage << " Built the Jacobian "<< std::endl;
-
-
-  /////////////////////////////////////////////////////////////
-  // Gauge action
-  /////////////////////////////////////////////////////////////
-  //  GaugeAction.is_smeared = ApplySmearing;
-  GaugeAction.is_smeared = true;
-  Level3.push_back(&GaugeAction);
-
-  std::cout << GridLogMessage << " ************************************************"<< std::endl;
-  std::cout << GridLogMessage << " Action complete -- NO FERMIONS FOR NOW -- FIXME"<< std::endl;
-  std::cout << GridLogMessage << " ************************************************"<< std::endl;
-  std::cout << GridLogMessage <<  std::endl;
-  std::cout << GridLogMessage <<  std::endl;
-
-
-  std::cout << GridLogMessage << " Running the FT HMC "<< std::endl;
-
-  TheHMC.TheAction.push_back(Level1);
-  TheHMC.TheAction.push_back(Level2);
-  TheHMC.TheAction.push_back(Level3);
-
-  TheHMC.Run(SmearingPolicy); // for smearing
-
-  Grid_finalize();
-} // main
-
-
-

HMC/Mobius2p1f_EOFA_96I_hmc.cc

@@ -146,8 +146,6 @@ NAMESPACE_END(Grid);
 int main(int argc, char **argv) {
   using namespace Grid;
 
-  std::cout << " Grid Initialise "<<std::endl;
-  
   Grid_init(&argc, &argv);
 
   CartesianCommunicator::BarrierWorld();
@@ -172,24 +170,24 @@ int main(int argc, char **argv) {
   IntegratorParameters MD;
   //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
   //  MD.name    = std::string("Leap Frog");
-  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
+  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
-  //  MD.name    = std::string("Force Gradient");
+  MD.name    = std::string("Force Gradient");
-  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
+  //typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
-  MD.name    = std::string("MinimumNorm2");
+  // MD.name    = std::string("MinimumNorm2");
   // TrajL = 2
   // 4/2 => 0.6 dH
   // 3/3 => 0.8 dH .. depth 3, slower
   //MD.MDsteps =  4;
-  MD.MDsteps =  14;
+  MD.MDsteps =  12;
   MD.trajL   = 0.5;
 
   HMCparameters HMCparams;
   HMCparams.StartTrajectory  = 1077;
-  HMCparams.Trajectories     = 20;
+  HMCparams.Trajectories     = 1;
   HMCparams.NoMetropolisUntil=  0;
   // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
-  HMCparams.StartingType     =std::string("ColdStart");
+  //  HMCparams.StartingType     =std::string("ColdStart");
-  //  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.StartingType     =std::string("CheckpointStart");
   HMCparams.MD = MD;
   HMCWrapper TheHMC(HMCparams);
 
@@ -225,7 +223,7 @@ int main(int argc, char **argv) {
   Real pv_mass      = 1.0;
   //  std::vector<Real> hasenbusch({ 0.01, 0.045, 0.108, 0.25, 0.51 , pv_mass });
   //  std::vector<Real> hasenbusch({ light_mass, 0.01, 0.045, 0.108, 0.25, 0.51 , pv_mass });
-  std::vector<Real> hasenbusch({ 0.005, 0.0145, 0.045, 0.108, 0.25, 0.51 }); // Updated
+  std::vector<Real> hasenbusch({ 0.005, 0.0145, 0.045, 0.108, 0.25, 0.51 , pv_mass }); // Updated
   //  std::vector<Real> hasenbusch({ light_mass, 0.0145, 0.045, 0.108, 0.25, 0.51 , 0.75 , pv_mass });
 
   auto GridPtr   = TheHMC.Resources.GetCartesian();
@@ -277,10 +275,10 @@ int main(int argc, char **argv) {
 
   //  double StoppingCondition = 1e-14;
   //  double MDStoppingCondition = 1e-9;
-  double StoppingCondition = 1e-9;
+  double StoppingCondition = 1e-8;
-  double MDStoppingCondition = 1e-8;
+  double MDStoppingCondition = 1e-7;
-  double MDStoppingConditionLoose = 1e-8;
+  double MDStoppingConditionLoose = 1e-7;
-  double MDStoppingConditionStrange = 1e-8;
+  double MDStoppingConditionStrange = 1e-7;
   double MaxCGIterations = 300000;
   ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
   ConjugateGradient<FermionField>  MDCG(MDStoppingCondition,MaxCGIterations);

HMC/Mobius2p1p1fEOFA_4Gev.cc

@@ -1,637 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: 
-
-Copyright (C) 2015-2016
-
-Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
-Author: Guido Cossu
-Author: David Murphy
-Author: Chulwoo Jung <chulwoo@bnl.gov>
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/Grid.h>
-
-#ifdef GRID_DEFAULT_PRECISION_DOUBLE
-#define MIXED_PRECISION
-#endif
-// second level EOFA
-#undef EOFA_H
-#undef USE_OBC
-#define DO_IMPLICIT
-
-NAMESPACE_BEGIN(Grid);
-
-  /*
-   * Need a plan for gauge field update for mixed precision in HMC                      (2x speed up)
-   *    -- Store the single prec action operator.
-   *    -- Clone the gauge field from the operator function argument.
-   *    -- Build the mixed precision operator dynamically from the passed operator and single prec clone.
-   */
-
-  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
-  class MixedPrecisionConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
-  public:
-    typedef typename FermionOperatorD::FermionField FieldD;
-    typedef typename FermionOperatorF::FermionField FieldF;
-
-    using OperatorFunction<FieldD>::operator();
-
-    RealD   Tolerance;
-    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
-    Integer MaxInnerIterations;
-    Integer MaxOuterIterations;
-    GridBase* SinglePrecGrid4; //Grid for single-precision fields
-    GridBase* SinglePrecGrid5; //Grid for single-precision fields
-    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
-
-    FermionOperatorF &FermOpF;
-    FermionOperatorD &FermOpD;;
-    SchurOperatorF &LinOpF;
-    SchurOperatorD &LinOpD;
-
-    Integer TotalInnerIterations; //Number of inner CG iterations
-    Integer TotalOuterIterations; //Number of restarts
-    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
-
-    MixedPrecisionConjugateGradientOperatorFunction(RealD tol, 
-						    Integer maxinnerit, 
-						    Integer maxouterit, 
-						    GridBase* _sp_grid4, 
-						    GridBase* _sp_grid5, 
-						    FermionOperatorF &_FermOpF,
-						    FermionOperatorD &_FermOpD,
-						    SchurOperatorF   &_LinOpF,
-						    SchurOperatorD   &_LinOpD): 
-      LinOpF(_LinOpF),
-      LinOpD(_LinOpD),
-      FermOpF(_FermOpF),
-      FermOpD(_FermOpD),
-      Tolerance(tol), 
-      InnerTolerance(tol), 
-      MaxInnerIterations(maxinnerit), 
-      MaxOuterIterations(maxouterit), 
-      SinglePrecGrid4(_sp_grid4),
-      SinglePrecGrid5(_sp_grid5),
-      OuterLoopNormMult(100.) 
-    { 
-      /* Debugging instances of objects; references are stored
-      std::cout << GridLogMessage << " Mixed precision CG wrapper LinOpF " <<std::hex<< &LinOpF<<std::dec <<std::endl;
-      std::cout << GridLogMessage << " Mixed precision CG wrapper LinOpD " <<std::hex<< &LinOpD<<std::dec <<std::endl;
-      std::cout << GridLogMessage << " Mixed precision CG wrapper FermOpF " <<std::hex<< &FermOpF<<std::dec <<std::endl;
-      std::cout << GridLogMessage << " Mixed precision CG wrapper FermOpD " <<std::hex<< &FermOpD<<std::dec <<std::endl;
-      */
-    };
-
-    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
-
-      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() "<<std::endl;
-
-      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
-      
-      //      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() FermOpU " <<std::hex<< &(SchurOpU->_Mat)<<std::dec <<std::endl;
-      //      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() FermOpD " <<std::hex<< &(LinOpD._Mat) <<std::dec <<std::endl;
-      // Assumption made in code to extract gauge field
-      // We could avoid storing LinopD reference alltogether ?
-      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Must snarf a single precision copy of the gauge field in Linop_d argument
-      ////////////////////////////////////////////////////////////////////////////////////
-      typedef typename FermionOperatorF::GaugeField GaugeFieldF;
-      typedef typename FermionOperatorF::GaugeLinkField GaugeLinkFieldF;
-      typedef typename FermionOperatorD::GaugeField GaugeFieldD;
-      typedef typename FermionOperatorD::GaugeLinkField GaugeLinkFieldD;
-
-      GridBase * GridPtrF = SinglePrecGrid4;
-      GridBase * GridPtrD = FermOpD.Umu.Grid();
-      GaugeFieldF     U_f  (GridPtrF);
-      GaugeLinkFieldF Umu_f(GridPtrF);
-      //      std::cout << " Dim gauge field "<<GridPtrF->Nd()<<std::endl; // 4d
-      //      std::cout << " Dim gauge field "<<GridPtrD->Nd()<<std::endl; // 4d
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Moving this to a Clone method of fermion operator would allow to duplicate the 
-      // physics parameters and decrease gauge field copies
-      ////////////////////////////////////////////////////////////////////////////////////
-      GaugeLinkFieldD Umu_d(GridPtrD);
-      for(int mu=0;mu<Nd*2;mu++){ 
-	Umu_d = PeekIndex<LorentzIndex>(FermOpD.Umu, mu);
-	precisionChange(Umu_f,Umu_d);
-	PokeIndex<LorentzIndex>(FermOpF.Umu, Umu_f, mu);
-      }
-      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
-      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Make a mixed precision conjugate gradient
-      ////////////////////////////////////////////////////////////////////////////////////
-      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
-      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
-      MPCG(src,psi);
-    }
-  };
-
-NAMESPACE_END(Grid);
-
-
-int main(int argc, char **argv) {
-  using namespace Grid;
-
-  Grid_init(&argc, &argv);
-  int threads = GridThread::GetThreads();
-  // here make a routine to print all the relevant information on the run
-  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
-
-   // Typedefs to simplify notation
-  typedef WilsonImplR FermionImplPolicy;
-  typedef MobiusFermionD FermionAction;
-  typedef MobiusFermionF FermionActionF;
-  typedef MobiusEOFAFermionD FermionEOFAAction;
-  typedef MobiusEOFAFermionF FermionEOFAActionF;
-  typedef typename FermionAction::FermionField FermionField;
-  typedef typename FermionActionF::FermionField FermionFieldF;
-
-  typedef Grid::XmlReader       Serialiser;
-  
-  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
-
-  HMCparameters HMCparams;
-#if 1
-  {
-    XmlReader  HMCrd("HMCparameters.xml");
-    read(HMCrd,"HMCparameters",HMCparams);
-  }
-#else
-  {
-//    HMCparameters HMCparams;
-  //  "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
-  //  HMCparams.StartingType     =std::string("ColdStart");
-    HMCparams.StartingType     =std::string("CheckpointStart");
-    HMCparams.StartTrajectory  =7;
-    HMCparams.SW  =4;
-    HMCparams.Trajectories     =1000;
-    HMCparams.NoMetropolisUntil=0;
-    HMCparams.MD.name          =std::string("Force Gradient");
-    HMCparams.MD.MDsteps       = 10;
-    HMCparams.MD.trajL         = 1.0;
-  }
-#endif
-
-#ifdef DO_IMPLICIT
-//    typedef GenericHMCRunner<ImplicitLeapFrog> HMCWrapper; 
-  typedef GenericHMCRunner<ImplicitMinimumNorm2> HMCWrapper; 
-  HMCparams.MD.name          =std::string("ImplicitMinimumNorm2");
-#else
-//  typedef GenericHMCRunner<LeapFrog> HMCWrapper; 
-  typedef GenericHMCRunner<ForceGradient> HMCWrapper; 
-//  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper; 
-  HMCparams.MD.name          =std::string("ForceGradient");
-#endif
-
-  std::cout << GridLogMessage<< HMCparams <<std::endl;
-  HMCWrapper TheHMC(HMCparams);
-  TheHMC.ReadCommandLine(argc, argv);
-  { 
-    XmlWriter HMCwr("HMCparameters.xml.out");
-    write(HMCwr,"HMCparameters",TheHMC.Parameters);
-  }
-
-  // Grid from the command line arguments --grid and --mpi
-  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
-  
-  CheckpointerParameters CPparams;
-  CPparams.config_prefix = "ckpoint_lat";
-  CPparams.rng_prefix    = "ckpoint_rng";
-  CPparams.saveInterval  = 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      = 12;
-  Real beta         = 5.983;
-  std::cout << GridLogMessage << " beta  "<< beta << std::endl;
-  Real light_mass   = 0.00049;
-  Real strange_mass = 0.0158;
-  Real charm_mass = 0.191;
-  Real pv_mass    = 1.0;
-  RealD M5  = 1.4;
-  RealD b   = 2.0; 
-  RealD c   = 1.0;
-
-  // Copied from paper
-//  std::vector<Real> hasenbusch({ 0.045 }); // Paper values from F1 incorrect run
-  std::vector<Real> hasenbusch({ 0.0038, 0.0145, 0.045, 0.108 , 0.25, 0.51 }); // Paper values from F1 incorrect run
-  std::vector<Real> hasenbusch2({ 0.4 }); // Paper values from F1 incorrect run
-
-//  RealD eofa_mass=0.05 ;
-
-  ///////////////////////////////////////////////////////////////////////////////////////////////
-  //Bad choices with large dH. Equalising force L2 norm was not wise.
-  ///////////////////////////////////////////////////////////////////////////////////////////////
-  //std::vector<Real> hasenbusch({ 0.03, 0.2, 0.3, 0.5, 0.8 }); 
-
-  auto GridPtr   = TheHMC.Resources.GetCartesian();
-  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
-  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
-  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
-
-  Coordinate latt  = GridDefaultLatt();
-  Coordinate mpi   = GridDefaultMpi();
-  Coordinate simdF = GridDefaultSimd(Nd,vComplexF::Nsimd());
-  Coordinate simdD = GridDefaultSimd(Nd,vComplexD::Nsimd());
-//  auto GridPtrF   = SpaceTimeGrid::makeFourDimGrid(latt,simdF,mpi);
-  auto UGrid_f    = SpaceTimeGrid::makeFourDimGrid(latt,simdF,mpi);
-  auto GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid_f);
-  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid_f);
-  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid_f);
-
-
-#ifndef USE_OBC
-//  IwasakiGaugeActionR GaugeAction(beta);
-  WilsonGaugeActionR GaugeAction(beta);
-#else
-  std::vector<Complex> boundaryG = {1,1,1,0};
-  WilsonGaugeActionR::ImplParams ParamsG(boundaryG);
-  WilsonGaugeActionR GaugeAction(beta,ParamsG);
-#endif
-
-  // temporarily need a gauge field
-  LatticeGaugeField U(GridPtr);
-  LatticeGaugeFieldF UF(UGrid_f);
-
-  // These lines are unecessary if BC are all periodic
-#ifndef USE_OBC
-  std::vector<Complex> boundary = {1,1,1,-1};
-#else
-  std::vector<Complex> boundary = {1,1,1,0};
-#endif
-  FermionAction::ImplParams Params(boundary);
-  FermionActionF::ImplParams ParamsF(boundary);
-  
-  double ActionStoppingCondition     = 1e-8;
-  double DerivativeStoppingCondition = 1e-8;
-  double MaxCGIterations =  100000;
-
-  ////////////////////////////////////
-  // Collect actions
-  ////////////////////////////////////
-  ActionLevel<HMCWrapper::Field> Level1(1);
-  ActionLevel<HMCWrapper::Field> Level2(HMCparams.SW);
-
-  ////////////////////////////////////
-  // Strange action
-  ////////////////////////////////////
-  typedef SchurDiagMooeeOperator<FermionActionF,FermionFieldF> LinearOperatorF;
-  typedef SchurDiagMooeeOperator<FermionAction ,FermionField > LinearOperatorD;
-  typedef SchurDiagMooeeOperator<FermionEOFAActionF,FermionFieldF> LinearOperatorEOFAF;
-  typedef SchurDiagMooeeOperator<FermionEOFAAction ,FermionField > LinearOperatorEOFAD;
-
-  typedef MixedPrecisionConjugateGradientOperatorFunction<MobiusFermionD,MobiusFermionF,LinearOperatorD,LinearOperatorF> MxPCG;
-  typedef MixedPrecisionConjugateGradientOperatorFunction<MobiusEOFAFermionD,MobiusEOFAFermionF,LinearOperatorEOFAD,LinearOperatorEOFAF> MxPCG_EOFA;
-
-  // DJM: setup for EOFA ratio (Mobius)
-  OneFlavourRationalParams OFRp;
-  OFRp.lo       = 0.99; // How do I know this on F1?
-  OFRp.hi       = 20;
-  OFRp.MaxIter  = 100000;
-  OFRp.tolerance= 1.0e-12;
-  OFRp.degree   = 12;
-  OFRp.precision= 50;
-
-  
-  MobiusEOFAFermionD Strange_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , strange_mass, strange_mass, charm_mass, 0.0, -1, M5, b, c);
-  MobiusEOFAFermionF Strange_Op_LF(UF, *FGridF, *FrbGridF, *UGrid_f, *GridRBPtrF, strange_mass, strange_mass, charm_mass, 0.0, -1, M5, b, c);
-  MobiusEOFAFermionD Strange_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , charm_mass, strange_mass,      charm_mass, -1.0, 1, M5, b, c);
-  MobiusEOFAFermionF Strange_Op_RF(UF, *FGridF, *FrbGridF, *UGrid_f, *GridRBPtrF, charm_mass, strange_mass,      charm_mass, -1.0, 1, M5, b, c);
-  
-#ifdef EOFA_H
-  MobiusEOFAFermionD Strange2_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , eofa_mass, eofa_mass, charm_mass , 0.0, -1, M5, b, c);
-  MobiusEOFAFermionF Strange2_Op_LF(UF, *FGridF, *FrbGridF, *UGrid_f, *GridRBPtrF, eofa_mass, eofa_mass, charm_mass , 0.0, -1, M5, b, c);
-  MobiusEOFAFermionD Strange2_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , charm_mass , eofa_mass,      charm_mass , -1.0, 1, M5, b, c);
-  MobiusEOFAFermionF Strange2_Op_RF(UF, *FGridF, *FrbGridF, *UGrid_f, *GridRBPtrF, charm_mass , eofa_mass,      charm_mass , -1.0, 1, M5, b, c);
-#endif
-
-  ConjugateGradient<FermionField>      ActionCG(ActionStoppingCondition,MaxCGIterations);
-  ConjugateGradient<FermionField>  DerivativeCG(DerivativeStoppingCondition,MaxCGIterations);
-#ifdef MIXED_PRECISION
-  const int MX_inner = 50000;
-
-  // Mixed precision EOFA
-  LinearOperatorEOFAD Strange_LinOp_L (Strange_Op_L);
-  LinearOperatorEOFAD Strange_LinOp_R (Strange_Op_R);
-  LinearOperatorEOFAF Strange_LinOp_LF(Strange_Op_LF);
-  LinearOperatorEOFAF Strange_LinOp_RF(Strange_Op_RF);
-
-#ifdef EOFA_H
-  // Mixed precision EOFA
-  LinearOperatorEOFAD Strange2_LinOp_L (Strange2_Op_L);
-  LinearOperatorEOFAD Strange2_LinOp_R (Strange2_Op_R);
-  LinearOperatorEOFAF Strange2_LinOp_LF(Strange2_Op_LF);
-  LinearOperatorEOFAF Strange2_LinOp_RF(Strange2_Op_RF);
-#endif
-
-  MxPCG_EOFA ActionCGL(ActionStoppingCondition,
-		       MX_inner,
-		       MaxCGIterations,
-		       UGrid_f,
-		       FrbGridF,
-		       Strange_Op_LF,Strange_Op_L,
-		       Strange_LinOp_LF,Strange_LinOp_L);
-
-#ifdef EOFA_H
-  MxPCG_EOFA ActionCGL2(ActionStoppingCondition,
-		       MX_inner,
-		       MaxCGIterations,
-		       UGrid_f,
-		       FrbGridF,
-		       Strange2_Op_LF,Strange2_Op_L,
-		       Strange2_LinOp_LF,Strange2_LinOp_L);
-#endif
-
-  MxPCG_EOFA DerivativeCGL(DerivativeStoppingCondition,
-			   MX_inner,
-			   MaxCGIterations,
-			   UGrid_f,
-			   FrbGridF,
-			   Strange_Op_LF,Strange_Op_L,
-			   Strange_LinOp_LF,Strange_LinOp_L);
-
-#ifdef EOFA_H
-  MxPCG_EOFA DerivativeCGL2(DerivativeStoppingCondition,
-			   MX_inner,
-			   MaxCGIterations,
-			   UGrid_f,
-			   FrbGridF,
-			   Strange2_Op_LF,Strange2_Op_L,
-			   Strange2_LinOp_LF,Strange2_LinOp_L);
-#endif
-  
-  MxPCG_EOFA ActionCGR(ActionStoppingCondition,
-		       MX_inner,
-		       MaxCGIterations,
-		       UGrid_f,
-		       FrbGridF,
-		       Strange_Op_RF,Strange_Op_R,
-		       Strange_LinOp_RF,Strange_LinOp_R);
-  
-#ifdef EOFA_H
-  MxPCG_EOFA ActionCGR2(ActionStoppingCondition,
-		       MX_inner,
-		       MaxCGIterations,
-		       UGrid_f,
-		       FrbGridF,
-		       Strange2_Op_RF,Strange2_Op_R,
-		       Strange2_LinOp_RF,Strange2_LinOp_R);
-#endif
-  
-  MxPCG_EOFA DerivativeCGR(DerivativeStoppingCondition,
-			   MX_inner,
-			   MaxCGIterations,
-			   UGrid_f,
-			   FrbGridF,
-			   Strange_Op_RF,Strange_Op_R,
-			   Strange_LinOp_RF,Strange_LinOp_R);
-  
-#ifdef EOFA_H
-  MxPCG_EOFA DerivativeCGR2(DerivativeStoppingCondition,
-			   MX_inner,
-			   MaxCGIterations,
-			   UGrid_f,
-			   FrbGridF,
-			   Strange2_Op_RF,Strange2_Op_R,
-			   Strange2_LinOp_RF,Strange2_LinOp_R);
-#endif
-  
-  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
-    EOFA(Strange_Op_L, Strange_Op_R, 
-	 ActionCG, 
-	 ActionCGL, ActionCGR,
-	 DerivativeCGL, DerivativeCGR,
-	 OFRp, true);
-  
-#ifdef EOFA_H
-  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
-    EOFA2(Strange2_Op_L, Strange2_Op_R, 
-	 ActionCG, 
-	 ActionCGL2, ActionCGR2,
-	 DerivativeCGL2, DerivativeCGR2,
-	 OFRp, true);
-#endif
-
-  Level1.push_back(&EOFA);
-#ifdef EOFA_H
-  Level1.push_back(&EOFA2);
-#endif
-
-#else
-  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
-    EOFA(Strange_Op_L, Strange_Op_R, 
-	 ActionCG, 
-	 ActionCG, ActionCG,
-	 ActionCG, ActionCG,
-	 //         DerivativeCG, DerivativeCG,
-	 OFRp, true);
-  Level1.push_back(&EOFA);
-#endif
-
-  ////////////////////////////////////
-  // up down action
-  ////////////////////////////////////
-  std::vector<Real> light_den;
-  std::vector<Real> light_num;
-
-  int n_hasenbusch = hasenbusch.size();
-  light_den.push_back(light_mass);
-  for(int h=0;h<n_hasenbusch;h++){
-    light_den.push_back(hasenbusch[h]);
-    light_num.push_back(hasenbusch[h]);
-  }
-  light_num.push_back(pv_mass);
-
-  int n_hasenbusch2 = hasenbusch2.size();
-  light_den.push_back(charm_mass);
-  for(int h=0;h<n_hasenbusch2;h++){
-    light_den.push_back(hasenbusch2[h]);
-    light_num.push_back(hasenbusch2[h]);
-  }
-  light_num.push_back(pv_mass);
-
-
-  //////////////////////////////////////////////////////////////
-  // Forced to replicate the MxPCG and DenominatorsF etc.. because
-  // there is no convenient way to "Clone" physics params from double op
-  // into single op for any operator pair.
-  // Same issue prevents using MxPCG in the Heatbath step
-  //////////////////////////////////////////////////////////////
-  std::vector<FermionAction *> Numerators;
-  std::vector<FermionAction *> Denominators;
-  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
-  std::vector<MxPCG *> ActionMPCG;
-  std::vector<MxPCG *> MPCG;
-  std::vector<FermionActionF *> DenominatorsF;
-  std::vector<LinearOperatorD *> LinOpD;
-  std::vector<LinearOperatorF *> LinOpF; 
-
-  for(int h=0;h<light_den.size();h++){
-
-    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
-
-    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
-    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
-
-#ifdef MIXED_PRECISION
-    ////////////////////////////////////////////////////////////////////////////
-    // Mixed precision CG for 2f force
-    ////////////////////////////////////////////////////////////////////////////
-    double DerivativeStoppingConditionLoose = 1e-8;
-
-    DenominatorsF.push_back(new FermionActionF(UF,*FGridF,*FrbGridF,*UGrid_f,*GridRBPtrF,light_den[h],M5,b,c, ParamsF));
-    LinOpD.push_back(new LinearOperatorD(*Denominators[h]));
-    LinOpF.push_back(new LinearOperatorF(*DenominatorsF[h]));
-
-    double conv  = DerivativeStoppingCondition;
-    if (h<3) conv= DerivativeStoppingConditionLoose; // Relax on first two hasenbusch factors
-    MPCG.push_back(new MxPCG(conv,
-			     MX_inner,
-			     MaxCGIterations,
-			     UGrid_f,
-			     FrbGridF,
-			     *DenominatorsF[h],*Denominators[h],
-			     *LinOpF[h], *LinOpD[h]) );
-
-    ActionMPCG.push_back(new MxPCG(ActionStoppingCondition,
-				   MX_inner,
-				   MaxCGIterations,
-				   UGrid_f,
-				   FrbGridF,
-				   *DenominatorsF[h],*Denominators[h],
-				   *LinOpF[h], *LinOpD[h]) );
-
-    // Heatbath not mixed yet. As inverts numerators not so important as raised mass.
-    Quotients.push_back (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],*MPCG[h],*ActionMPCG[h],ActionCG));
-#else
-    ////////////////////////////////////////////////////////////////////////////
-    // Standard CG for 2f force
-    ////////////////////////////////////////////////////////////////////////////
-    Quotients.push_back   (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],DerivativeCG,ActionCG));
-#endif
-
-  }
-
-  for(int h=0;h<n_hasenbusch+1;h++){
-    Level1.push_back(Quotients[h]);
-  }
-
-  /////////////////////////////////////////////////////////////
-  // Gauge action
-  /////////////////////////////////////////////////////////////
-  Level2.push_back(&GaugeAction);
-  TheHMC.TheAction.push_back(Level1);
-  TheHMC.TheAction.push_back(Level2);
-  std::cout << GridLogMessage << " Action complete "<< std::endl;
-
-  /////////////////////////////////////////////////////////////
-  // HMC parameters are serialisable
-
-  NoSmearing<HMCWrapper::ImplPolicy> S;
-#ifndef DO_IMPLICIT
-  TrivialMetric<HMCWrapper::ImplPolicy::Field> Mtr;
-#else
-    LaplacianRatParams gpar(2),mpar(2);
-    gpar.offset = 1.;
-    gpar.a0[0] = 500.;
-    gpar.a1[0] = 0.;
-    gpar.b0[0] = 0.25;
-    gpar.b1[0] = 1.;
-    gpar.a0[1] = -500.;
-    gpar.a1[1] = 0.;
-    gpar.b0[1] = 0.36;
-    gpar.b1[1] = 1.2;
-    gpar.b2=1.;
-
-    mpar.offset = 1.;
-    mpar.a0[0] =  -0.850891906532;
-    mpar.a1[0] = -1.54707654538;
-    mpar. b0[0] = 2.85557166137;
-    mpar. b1[0] = 5.74194794773;
-    mpar.a0[1] = -13.5120056831218384729709214298;
-    mpar.a1[1] = 1.54707654538396877086370295729;
-    mpar.b0[1] = 19.2921090880640520026645390317;
-    mpar.b1[1] = -3.54194794773029020262811172870;
-    mpar.b2=1.;
-    for(int i=0;i<2;i++){
-       gpar.a1[i] *=16.;
-       gpar.b1[i] *=16.;
-       mpar.a1[i] *=16.;
-       mpar.b1[i] *=16.;
-    }
-    gpar.b2 *= 16.*16.;
-    mpar.b2 *= 16.*16.;
-
-    ConjugateGradient<LatticeGaugeField> CG(1.0e-8,10000);
-    LaplacianParams LapPar(0.0001, 1.0, 10000, 1e-8, 12, 64);
-
-    std::cout << GridLogMessage << "LaplacianRat " << std::endl;
-    gpar.tolerance=HMCparams.MD.RMHMCCGTol;
-    mpar.tolerance=HMCparams.MD.RMHMCCGTol;
-    std::cout << GridLogMessage << "gpar offset= " << gpar.offset <<std::endl;
-    std::cout << GridLogMessage << " a0= " << gpar.a0 <<std::endl;
-    std::cout << GridLogMessage << " a1= " << gpar.a1 <<std::endl;
-    std::cout << GridLogMessage << " b0= " << gpar.b0 <<std::endl;
-    std::cout << GridLogMessage << " b1= " << gpar.b1 <<std::endl;
-    std::cout << GridLogMessage << " b2= " << gpar.b2 <<std::endl ;;
-
-    std::cout << GridLogMessage << "mpar offset= " << mpar.offset <<std::endl;
-    std::cout << GridLogMessage << " a0= " << mpar.a0 <<std::endl;
-    std::cout << GridLogMessage << " a1= " << mpar.a1 <<std::endl;
-    std::cout << GridLogMessage << " b0= " << mpar.b0 <<std::endl;
-    std::cout << GridLogMessage << " b1= " << mpar.b1 <<std::endl;
-    std::cout << GridLogMessage << " b2= " << mpar.b2 <<std::endl;
-//  Assumes PeriodicGimplR or D at the moment
-    auto UGrid = TheHMC.Resources.GetCartesian("gauge");
-//    auto UGrid_f   = GridPtrF;
-//  auto GridPtrF   = SpaceTimeGrid::makeFourDimGrid(latt,simdF,mpi);
-//    std::cout << GridLogMessage << " UGrid= " << UGrid <<std::endl;
-//    std::cout << GridLogMessage << " UGrid_f= " << UGrid_f <<std::endl;
-
-    LaplacianAdjointRat<HMCWrapper::ImplPolicy, PeriodicGimplF> Mtr(UGrid, UGrid_f ,CG, gpar, mpar);
-#endif
-
-  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
-  TheHMC.Run(S,Mtr);  // no smearing
-
-  Grid_finalize();
-} // main
-
-
-

benchmarks/Benchmark_ITT.cc

@@ -365,15 +365,9 @@ public:
     GridParallelRNG          RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
     std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
 
-#if 1
     typedef DomainWallFermionF Action;
     typedef typename Action::FermionField Fermion;
     typedef LatticeGaugeFieldF Gauge;
-#else
-    typedef GparityDomainWallFermionF Action;
-    typedef typename Action::FermionField Fermion;
-    typedef LatticeGaugeFieldF Gauge;
-#endif
     
     ///////// Source preparation ////////////
     Gauge Umu(UGrid);  SU<Nc>::HotConfiguration(RNG4,Umu); 
@@ -641,170 +635,6 @@ public:
     std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
     return mflops_best;
   }
-
-  static double Laplace(int L)
-  {
-    double mflops;
-    double mflops_best = 0;
-    double mflops_worst= 0;
-    std::vector<double> mflops_all;
-
-    ///////////////////////////////////////////////////////
-    // Set/Get the layout & grid size
-    ///////////////////////////////////////////////////////
-    int threads = GridThread::GetThreads();
-    Coordinate mpi = GridDefaultMpi(); assert(mpi.size()==4);
-    Coordinate local({L,L,L,L});
-    Coordinate latt4({local[0]*mpi[0],local[1]*mpi[1],local[2]*mpi[2],local[3]*mpi[3]});
-    
-    GridCartesian         * TmpGrid   = SpaceTimeGrid::makeFourDimGrid(latt4,
-								       GridDefaultSimd(Nd,vComplex::Nsimd()),
-								       GridDefaultMpi());
-    uint64_t NP = TmpGrid->RankCount();
-    uint64_t NN = TmpGrid->NodeCount();
-    NN_global=NN;
-    uint64_t SHM=NP/NN;
-
-
-    ///////// Welcome message ////////////
-    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
-    std::cout<<GridLogMessage << "Benchmark Laplace on "<<L<<"^4 local volume "<<std::endl;
-    std::cout<<GridLogMessage << "* Global volume  : "<<GridCmdVectorIntToString(latt4)<<std::endl;
-    std::cout<<GridLogMessage << "* ranks          : "<<NP  <<std::endl;
-    std::cout<<GridLogMessage << "* nodes          : "<<NN  <<std::endl;
-    std::cout<<GridLogMessage << "* ranks/node     : "<<SHM <<std::endl;
-    std::cout<<GridLogMessage << "* ranks geom     : "<<GridCmdVectorIntToString(mpi)<<std::endl;
-    std::cout<<GridLogMessage << "* Using "<<threads<<" threads"<<std::endl;
-    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
-
-    ///////// Lattice Init ////////////
-    GridCartesian         * FGrid   = SpaceTimeGrid::makeFourDimGrid(latt4, GridDefaultSimd(Nd,vComplexF::Nsimd()),GridDefaultMpi());
-    GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(FGrid);
-    
-    ///////// RNG Init ////////////
-    std::vector<int> seeds4({1,2,3,4});
-    GridParallelRNG          RNG4(FGrid);  RNG4.SeedFixedIntegers(seeds4);
-    std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
-
-    RealD mass=0.1;
-    RealD c1=9.0/8.0;
-    RealD c2=-1.0/24.0;
-    RealD u0=1.0;
-
-//    typedef ImprovedStaggeredFermionF Action;
-//    typedef typename Action::FermionField Fermion; 
-    typedef LatticeGaugeFieldF Gauge;
-    
-    Gauge Umu(FGrid);  SU<Nc>::HotConfiguration(RNG4,Umu); 
-
-//    typename Action::ImplParams params;
-//    Action Ds(Umu,Umu,*FGrid,*FrbGrid,mass,c1,c2,u0,params);
-
-//  PeriodicGimplF
-    typedef typename PeriodicGimplF::LinkField GaugeLinkFieldF;
-
-    ///////// Source preparation ////////////
-    GaugeLinkFieldF src   (FGrid); random(RNG4,src);
-//    GaugeLinkFieldF src_e (FrbGrid);
-//    GaugeLinkFieldF src_o (FrbGrid);
-//    GaugeLinkFieldF r_e   (FrbGrid);
-//    GaugeLinkFieldF r_o   (FrbGrid);
-    GaugeLinkFieldF r_eo  (FGrid);
-  
-    {
-
- //     pickCheckerboard(Even,src_e,src);
- //     pickCheckerboard(Odd,src_o,src);
-    
-      const int num_cases = 1;
-      std::string fmt("G/O/C  ");
-      
-      controls Cases [] = {
-	{  StaggeredKernelsStatic::OptGeneric   ,  StaggeredKernelsStatic::CommsAndCompute  ,CartesianCommunicator::CommunicatorPolicyConcurrent  },
-      }; 
-
-      for(int c=0;c<num_cases;c++) {
-        CovariantAdjointLaplacianStencil<PeriodicGimplF,typename PeriodicGimplF::LinkField> LapStencilF(FGrid);
-        QuadLinearOperator<CovariantAdjointLaplacianStencil<PeriodicGimplF,typename PeriodicGimplF::LinkField>,PeriodicGimplF::LinkField> QuadOpF(LapStencilF,c2,c1,1.);
-        LapStencilF.GaugeImport(Umu);
-	
-
-	StaggeredKernelsStatic::Comms = Cases[c].CommsOverlap;
-	StaggeredKernelsStatic::Opt   = Cases[c].Opt;
-	CartesianCommunicator::SetCommunicatorPolicy(Cases[c].CommsAsynch);
-      
-	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
-	if ( StaggeredKernelsStatic::Opt == StaggeredKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using Stencil Nc Laplace" <<std::endl;
-	if ( StaggeredKernelsStatic::Comms == StaggeredKernelsStatic::CommsAndCompute ) std::cout << GridLogMessage<< "* Using Overlapped Comms/Compute" <<std::endl;
-	if ( StaggeredKernelsStatic::Comms == StaggeredKernelsStatic::CommsThenCompute) std::cout << GridLogMessage<< "* Using sequential Comms/Compute" <<std::endl;
-	std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
-	std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
-	
-	int nwarm = 10;
-	double t0=usecond();
-	FGrid->Barrier();
-	for(int i=0;i<nwarm;i++){
-//	  Ds.DhopEO(src_o,r_e,DaggerNo);
-          QuadOpF.HermOp(src,r_eo);
-	}
-	FGrid->Barrier();
-	double t1=usecond();
-	uint64_t ncall = 500;
-
-	FGrid->Broadcast(0,&ncall,sizeof(ncall));
-
-	//	std::cout << GridLogMessage << " Estimate " << ncall << " calls per second"<<std::endl;
-
-	time_statistics timestat;
-	std::vector<double> t_time(ncall);
-	for(uint64_t i=0;i<ncall;i++){
-	  t0=usecond();
-//	  Ds.DhopEO(src_o,r_e,DaggerNo);
-          QuadOpF.HermOp(src,r_eo);
-	  t1=usecond();
-	  t_time[i] = t1-t0;
-	}
-	FGrid->Barrier();
-	
-	double volume=1;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
-//	double flops=(1146.0*volume)/2;
-	double flops=(2*2*8*216.0*volume);
-	double mf_hi, mf_lo, mf_err;
-	
-	timestat.statistics(t_time);
-	mf_hi = flops/timestat.min;
-	mf_lo = flops/timestat.max;
-	mf_err= flops/timestat.min * timestat.err/timestat.mean;
-
-	mflops = flops/timestat.mean;
-	mflops_all.push_back(mflops);
-	if ( mflops_best == 0   ) mflops_best = mflops;
-	if ( mflops_worst== 0   ) mflops_worst= mflops;
-	if ( mflops>mflops_best ) mflops_best = mflops;
-	if ( mflops<mflops_worst) mflops_worst= mflops;
-	
-	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Quad mflop/s =   "<< mflops << " ("<<mf_err<<") " << mf_lo<<"-"<<mf_hi <<std::endl;
-	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Quad mflop/s per rank   "<< mflops/NP<<std::endl;
-	std::cout<<GridLogMessage << std::fixed << std::setprecision(1)<<"Quad mflop/s per node   "<< mflops/NN<<std::endl;
-	FGrid->Barrier();
-      
-      }
-
-      std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
-      std::cout<<GridLogMessage << L<<"^4  Quad Best  mflop/s        =   "<< mflops_best << " ; " << mflops_best/NN<<" per node " <<std::endl;
-      std::cout<<GridLogMessage << L<<"^4  Quad Worst mflop/s        =   "<< mflops_worst<< " ; " << mflops_worst/NN<<" per node " <<std::endl;
-      std::cout<<GridLogMessage <<fmt << std::endl;
-      std::cout<<GridLogMessage ;
-	FGrid->Barrier();
-
-      for(int i=0;i<mflops_all.size();i++){
-	std::cout<<mflops_all[i]/NN<<" ; " ;
-      }
-      std::cout<<std::endl;
-    }
-    std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
-    return mflops_best;
-  }
 };
 
 
@@ -832,7 +662,6 @@ int main (int argc, char ** argv)
   std::vector<double> wilson;
   std::vector<double> dwf4;
   std::vector<double> staggered;
-  std::vector<double> lap;
 
   int Ls=1;
   std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
@@ -859,20 +688,12 @@ int main (int argc, char ** argv)
     staggered.push_back(result);
   }
 
-  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
-  std::cout<<GridLogMessage << " Laplace QuadOp 4D " <<std::endl;
-  std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
-  for(int l=0;l<L_list.size();l++){
-    double result = Benchmark::Laplace(L_list[l]) ;
-    lap.push_back(result);
-  }
-
   std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
   std::cout<<GridLogMessage << " Summary table Ls="<<Ls <<std::endl;
   std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
-  std::cout<<GridLogMessage << "L \t\t Wilson \t\t DWF4 \t\t Staggered \t\t Quad Laplace" <<std::endl;
+  std::cout<<GridLogMessage << "L \t\t Wilson \t\t DWF4 \t\t Staggered" <<std::endl;
   for(int l=0;l<L_list.size();l++){
-    std::cout<<GridLogMessage << L_list[l] <<" \t\t "<< wilson[l]<<" \t\t "<<dwf4[l] << " \t\t "<< staggered[l]<< " \t\t "<< lap[l]<< std::endl;
+    std::cout<<GridLogMessage << L_list[l] <<" \t\t "<< wilson[l]<<" \t\t "<<dwf4[l] << " \t\t "<< staggered[l]<<std::endl;
   }
   std::cout<<GridLogMessage << "=================================================================================="<<std::endl;
 

configure.ac

@@ -41,7 +41,7 @@ AC_PROG_RANLIB
 
 ############### Get compiler informations
 AC_LANG([C++])
-AX_CXX_COMPILE_STDCXX(17,noext,mandatory)
+AX_CXX_COMPILE_STDCXX_11([noext],[mandatory])
 AX_COMPILER_VENDOR
 AC_DEFINE_UNQUOTED([CXX_COMP_VENDOR],["$ax_cv_cxx_compiler_vendor"],
       [vendor of C++ compiler that will compile the code])
@@ -191,28 +191,10 @@ case ${ac_Nc} in
         AC_DEFINE([Config_Nc],[4],[Gauge group Nc]);;
     5)
         AC_DEFINE([Config_Nc],[5],[Gauge group Nc]);;
-    8)
-        AC_DEFINE([Config_Nc],[8],[Gauge group Nc]);;
     *)
       AC_MSG_ERROR(["Unsupport gauge group choice Nc = ${ac_Nc}"]);;
 esac
 
-############### Symplectic group
-AC_ARG_ENABLE([Sp],
-    [AC_HELP_STRING([--enable-Sp=yes|no], [enable gauge group Sp2n])],
-    [ac_ENABLE_SP=${enable_Sp}], [ac_ENABLE_SP=no])
-
-AM_CONDITIONAL(BUILD_SP, [ test "${ac_ENABLE_SP}X" == "yesX" ])
-
-case ${ac_ENABLE_SP} in
-   yes)
-        AC_DEFINE([Sp2n_config],[1],[gauge group Sp2n], [have_sp2n=true]);;
-   no)
-        AC_DEFINE([Sp2n_config],[0],[gauge group SUn], [have_sp2n=false]);;
-    *)
-        AC_MSG_ERROR(["--enable-Sp is either yes or no"]);;
-esac
-
 ############### FP16 conversions
 AC_ARG_ENABLE([sfw-fp16],
     [AS_HELP_STRING([--enable-sfw-fp16=yes|no],[enable software fp16 comms])],
@@ -755,7 +737,7 @@ case ${ac_TIMERS} in
 esac
 
 ############### Chroma regression test
-AC_ARG_ENABLE([chroma],[AS_HELP_STRING([--enable-chroma],[Expect chroma compiled under c++14 ])],ac_CHROMA=yes,ac_CHROMA=no)
+AC_ARG_ENABLE([chroma],[AS_HELP_STRING([--enable-chroma],[Expect chroma compiled under c++11 ])],ac_CHROMA=yes,ac_CHROMA=no)
 
 case ${ac_CHROMA} in
      yes|no)
@@ -837,7 +819,6 @@ FFTW                        : `if test "x$have_fftw" = xtrue; then echo yes; els
 LIME (ILDG support)         : `if test "x$have_lime" = xtrue; then echo yes; else echo no; fi`
 HDF5                        : `if test "x$have_hdf5" = xtrue; then echo yes; else echo no; fi`
 build DOXYGEN documentation : `if test "$DX_FLAG_doc" = '1'; then echo yes; else echo no; fi`
-Sp2n                        : ${ac_ENABLE_SP}
 ----- BUILD FLAGS -------------------------------------
 CXXFLAGS:
 `echo ${AM_CXXFLAGS} ${CXXFLAGS} | tr ' ' '\n' | sed 's/^-/    -/g'`
@@ -866,7 +847,6 @@ AC_CONFIG_FILES(tests/lanczos/Makefile)
 AC_CONFIG_FILES(tests/smearing/Makefile)
 AC_CONFIG_FILES(tests/qdpxx/Makefile)
 AC_CONFIG_FILES(tests/testu01/Makefile)
-AC_CONFIG_FILES(tests/sp2n/Makefile)
 AC_CONFIG_FILES(benchmarks/Makefile)
 AC_CONFIG_FILES(examples/Makefile)
 AC_OUTPUT

documentation/David_notes.txt

@@ -1,90 +0,0 @@
-Branch: develop
-
-Files:
-
-Grid/lattice/PaddedCell.h -- Halo exchange
-tests/Test_general_stencil.cc -- test local off axis stencil addressing
-tests/debug/Test_padded_cell.cc -- test PaddedCell halo exchange and the General local stencil  by computing ALL plaquettes on lattice
-
-Functionality:
-
--- extend a lattice field:
-Grid/lattice/PaddedCell.h
-
-// Constructor
-  PaddedCell(int _depth,GridCartesian *_grid)
-
-// Expand a field "in" to depth "d"
-  template<class vobj>
-  inline Lattice<vobj> Exchange(Lattice<vobj> &in)
-  
-// Take the "apple core" of in to a smaller local volume
-  template<class vobj>
-  inline Lattice<vobj> Extract(Lattice<vobj> &in)
-
--- Plaquette test:
-tests/debug/Test_padded_cell.cc
-  /////////////////////////////////////////////////
-  // Create a padded cell of extra padding depth=1
-  /////////////////////////////////////////////////
-  int depth = 1;
-  PaddedCell Ghost(depth,&GRID);
-  LatticeGaugeField Ughost = Ghost.Exchange(Umu);
-
-///// Array for the site plaquette
-  GridBase *GhostGrid = Ughost.Grid();
-  LatticeComplex gplaq(GhostGrid); 
-
-  std::vector<Coordinate> shifts;
-  for(int mu=0;mu<Nd;mu++){
-    for(int nu=mu+1;nu<Nd;nu++){
-  
-      //    Umu(x) Unu(x+mu) Umu^dag(x+nu) Unu^dag(x)
-      Coordinate shift_0(Nd,0);
-      Coordinate shift_mu(Nd,0); shift_mu[mu]=1;
-      Coordinate shift_nu(Nd,0); shift_nu[nu]=1;
-      shifts.push_back(shift_0);
-      shifts.push_back(shift_mu);
-      shifts.push_back(shift_nu);
-      shifts.push_back(shift_0);
-    }
-  }
-  GeneralLocalStencil gStencil(GhostGrid,shifts);
-
-  gplaq=Zero();
-  {
-    autoView( gp_v , gplaq, CpuWrite);
-    autoView( t_v , trplaq, CpuRead);
-    autoView( U_v , Ughost, CpuRead);
-    for(int ss=0;ss<gp_v.size();ss++){
-      int s=0;
-      for(int mu=0;mu<Nd;mu++){
-	for(int nu=mu+1;nu<Nd;nu++){
-
-	  auto SE0 = gStencil.GetEntry(s+0,ss);
-	  auto SE1 = gStencil.GetEntry(s+1,ss);
-	  auto SE2 = gStencil.GetEntry(s+2,ss);
-	  auto SE3 = gStencil.GetEntry(s+3,ss);
-	
-	  int o0 = SE0->_offset;
-	  int o1 = SE1->_offset;
-	  int o2 = SE2->_offset;
-	  int o3 = SE3->_offset;
-	  
-	  auto U0 = U_v[o0](mu);
-	  auto U1 = U_v[o1](nu);
-	  auto U2 = adj(U_v[o2](mu));
-	  auto U3 = adj(U_v[o3](nu));
-
-	  gpermute(U0,SE0->_permute);
-	  gpermute(U1,SE1->_permute);
-	  gpermute(U2,SE2->_permute);
-	  gpermute(U3,SE3->_permute);
-	  
-	  gp_v[ss]() =gp_v[ss]() + trace( U0*U1*U2*U3 );
-	  s=s+4;
-	}
-      }
-    }
-  }
-  cplaq = Ghost.Extract(gplaq);

documentation/GridXcode/readme.md

@@ -10,8 +10,9 @@ For first time setup of the Xcode and Grid build environment on Mac OS, you will
 
 1. Install Xcode and the Xcode command-line utilities
 2. Set Grid environment variables
-3. Install and build Grid pre-requisites
+3. Install and build Open MPI ***optional***
-4. Install, Configure and Build Grid
+4. Install and build Grid pre-requisites
+5. Install, Configure and Build Grid
 
 Apple's [Xcode website][Xcode] is the go-to reference for 1, and the definitive reference for 4 and 5 is the [Grid Documentation][GridDoc].
 
@@ -91,33 +92,60 @@ launchctl setenv GridPkg /opt/local</string>
 </plist>
 ```
 
-## 3. Install and build Grid pre-requisites
+## 3. Install and build Open MPI -- ***optional***
+
+Download the latest version of [Open MPI][OMPI] version 3.1 (I used 3.1.5) and build it like so:
+
+[OMPI]: https://www.open-mpi.org/software/ompi/v3.1/
+
+    ../configure CC=clang CXX=clang++ CXXFLAGS=-g --prefix=$GridPre/bin
+    make -j 4 all install
+
+***Note the `/bin` at the end of the prefix - this is required. As a quirk of the OpenMPI installer, `--prefix` must point to the `bin` subdirectory, with other files installed in `$GridPre/include`, `$GridPre/lib`, `$GridPre/share`, etc.***
+
+Grid does not have any dependencies on fortran, however many standard scientific packages do, so you may wish to download GNU fortran (e.g. MacPorts ``gfortran`` package) and add the following to your configure invocation:
+
+    F77=gfortran FC=gfortran
+
+## 4. Install and build Grid pre-requisites
 
 To simplify the installation of **Grid pre-requisites**, you can use your favourite package manager, e.g.:
 
-### 3.1. [MacPorts][MacPorts]
+### 1. [MacPorts][MacPorts]
 
 [MacPorts]: https://www.macports.org "MacPorts package manager"
 
 Install [MacPorts][MacPorts] if you haven't done so already, and then install packages with:
 
-    sudo port install openmpi git-flow-avh gmp hdf5 mpfr fftw-3-single lapack wget autoconf automake bison cmake gawk libomp
+    sudo port install <portname>
 
-On a Mac without GPUs:
+These are the `portname`s for mandatory Grid libraries:
 
-    sudo port install OpenBLAS +native
+* git-flow-avh
+* gmp
+* hdf5
+* mpfr
 
-To use `Gnu sha256sum`:
+and these are the `portname`s for optional Grid libraries:
 
-    pushd /opt/local/bin; sudo ln -s gsha256sum sha256sum; popd 
+* fftw-3-single
+* lapack
+* doxygen
+* OpenBLAS
 
-These `port`s are not strictly necessary, but they are helpful:
+***Please update this list with any packages I've missed! ... and double-check whether OpenBLAS is really for Grid. NB: lapack doesn't seem to work. Should it be scalapack?***
 
-    sudo port install gnuplot gsl h5utils nasm rclone texinfo tree xorg-server
+### 2. [Homebrew][Homebrew]
 
-***Please update this list with any packages I've missed!***
+[Homebrew]: https://brew.sh "Homebrew package manager"
 
-#### Install LIME
+Install [Homebrew][Homebrew] if you haven't done so already, and then install packages with:
+
+    sudo brew install <packagename>
+
+The same packages are available as from MacPorts.
+
+### Install LIME ***optional***
 
 There isn't currently a port for [C-LIME][C-LIME], so download the source and then build it:
 
@@ -126,19 +154,9 @@ There isn't currently a port for [C-LIME][C-LIME], so download the source and th
     ../configure CC=clang --prefix=$GridPre
     make -j 4 all install
 
-### 3.2. [Homebrew][Homebrew]
+## 5. Install, Configure and Build Grid
 
-[Homebrew]: https://brew.sh "Homebrew package manager"
+### 5.1 Install Grid
-
-Install [Homebrew][Homebrew] if you haven't done so already, and then install packages with:
-
-    sudo brew install <packagename>
-
-I don't use Homebrew, so I'm not sure what the Brew package name equivalents are. ** Please update if you know **
-
-## 4. Install, Configure and Build Grid
-
-### 4.1 Install Grid
 
 [Grid]: https://github.com/paboyle/Grid
 
@@ -156,7 +174,7 @@ or
 
 depending on how many times you like to enter your password.
 
-### 4.2 Configure Grid
+### 5.2 Configure Grid
 
 The Xcode build system supports multiple configurations for each project, by default: `Debug` and `Release`, but more configurations can be defined. We will create separate Grid build directories for each configuration, using the Grid **Autoconf** build system to make each configuration. NB: it is **not** necessary to run `make install` on them once they are built (IDE features such as *jump to definition* will work better of you don't).
 
@@ -180,7 +198,7 @@ Debug configuration with MPI:
 
     ../configure CXX=clang++ CXXFLAGS="-I$GridPkg/include/libomp -Xpreprocessor -fopenmp -std=c++11" LDFLAGS="-L$GridPkg/lib/libomp" LIBS="-lomp" --with-hdf5=$GridPkg --with-gmp=$GridPkg --with-mpfr=$GridPkg --with-fftw=$GridPkg --with-lime=$GridPre --enable-simd=GEN --enable-comms=mpi-auto MPICXX=$GridPre/bin/mpicxx --prefix=$GridPre/MPIDebug
 
-### 4.3 Build Grid
+### 5.3 Build Grid
 
 Each configuration must be built before they can be used. You can either: