Merge 37d1d87c3c into 2e570f5300

Import GPT-related updates

.github/ISSUE_TEMPLATE/bug-report.yml

@@ -0,0 +1,54 @@
+name: Bug report
+description: Report a bug.
+title: "<insert title>"
+labels: [bug]
+
+body:
+  - type: markdown
+    attributes:
+      value: >
+        Thank you for taking the time to file a bug report.
+        Please check that the code is pointing to the HEAD of develop
+        or any commit in master which is tagged with a version number.
+
+  - type: textarea
+    attributes:
+      label: "Describe the issue:"
+      description: >
+        Describe the issue and any previous attempt to solve it.
+    validations:
+      required: true
+
+  - type: textarea
+    attributes:
+      label: "Code example:"
+      description: >
+        If relevant, show how to reproduce the issue using a minimal working
+        example.
+      placeholder: |
+        << your code here >>
+      render: shell
+    validations:
+      required: false
+
+  - type: textarea
+    attributes:
+      label: "Target platform:"
+      description: >
+        Give a description of the target platform (CPU, network, compiler).
+        Please give the full CPU part description, using for example
+        `cat /proc/cpuinfo | grep 'model name' | uniq` (Linux)
+        or `sysctl machdep.cpu.brand_string` (macOS) and the full output
+        the `--version` option of your compiler.
+    validations:
+      required: true
+
+  - type: textarea
+    attributes:
+      label: "Configure options:"
+      description: >
+        Please give the exact configure command used and attach
+        `config.log`, `grid.config.summary` and the output of `make V=1`.
+      render: shell
+    validations:
+      required: true

Grid/Makefile.am

@@ -66,6 +66,10 @@ 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

@@ -542,6 +542,7 @@ public:
       (*this)(in[i], out[i]);
     }
   }
+  virtual ~LinearFunction(){};
 };
 
 template<class Field> class IdentityLinearFunction : public LinearFunction<Field> {

Grid/algorithms/iterative/ConjugateGradientMultiShiftCleanup.h

@@ -166,16 +166,16 @@ public:
       rsqf[s] =rsq[s];
       std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup: shift "<< s <<" target resid "<<rsq[s]<<std::endl;
       //      ps_d[s] = src_d;
-      precisionChangeFast(ps_f[s],src_d);
+      precisionChange(ps_f[s],src_d);
     }
     // r and p for primary
     p_d = src_d; //primary copy --- make this a reference to ps_d to save axpys
     r_d = p_d;
     
     //MdagM+m[0]
-    precisionChangeFast(p_f,p_d);
+    precisionChange(p_f,p_d);
     Linop_f.HermOpAndNorm(p_f,mmp_f,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
-    precisionChangeFast(tmp_d,mmp_f);
+    precisionChange(tmp_d,mmp_f);
     Linop_d.HermOpAndNorm(p_d,mmp_d,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
     tmp_d = tmp_d - mmp_d;
     std::cout << " Testing operators match "<<norm2(mmp_d)<<" f "<<norm2(mmp_f)<<" diff "<< norm2(tmp_d)<<std::endl;
@@ -204,7 +204,7 @@ public:
   
     for(int s=0;s<nshift;s++) {
       axpby(psi_d[s],0.,-bs[s]*alpha[s],src_d,src_d);
-      precisionChangeFast(psi_f[s],psi_d[s]);
+      precisionChange(psi_f[s],psi_d[s]);
     }
   
     ///////////////////////////////////////
@@ -225,7 +225,7 @@ public:
       AXPYTimer.Stop();
 
       PrecChangeTimer.Start();
-      precisionChangeFast(r_f, r_d);
+      precisionChange(r_f, r_d);
       PrecChangeTimer.Stop();
 
       AXPYTimer.Start();
@@ -243,13 +243,13 @@ public:
 
       cp=c;
       PrecChangeTimer.Start();
-      precisionChangeFast(p_f, p_d); //get back single prec search direction for linop
+      precisionChange(p_f, p_d); //get back single prec search direction for linop
       PrecChangeTimer.Stop();
       MatrixTimer.Start();  
       Linop_f.HermOp(p_f,mmp_f);
       MatrixTimer.Stop();  
       PrecChangeTimer.Start();
-      precisionChangeFast(mmp_d, mmp_f); // From Float to Double
+      precisionChange(mmp_d, mmp_f); // From Float to Double
       PrecChangeTimer.Stop();
 
       d=real(innerProduct(p_d,mmp_d));    
@@ -311,7 +311,7 @@ public:
 	SolverTimer.Stop();
 
 	for(int s=0;s<nshift;s++){
-	  precisionChangeFast(psi_d[s],psi_f[s]);
+	  precisionChange(psi_d[s],psi_f[s]);
 	}
 
 	

Grid/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h

@@ -211,7 +211,7 @@ public:
     Linop_d.HermOpAndNorm(p_d,mmp_d,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
     tmp_d = tmp_d - mmp_d;
     std::cout << " Testing operators match "<<norm2(mmp_d)<<" f "<<norm2(mmp_f)<<" diff "<< norm2(tmp_d)<<std::endl;
-    //    assert(norm2(tmp_d)< 1.0e-4);
+    assert(norm2(tmp_d)< 1.0);
 
     axpy(mmp_d,mass[0],p_d,mmp_d);
     RealD rn = norm2(p_d);

Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h

@@ -419,14 +419,15 @@ 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(Nconv);// Nstop?
+      eval.resize(Nstop);// was Nconv
-      evec.resize(Nconv,grid);// Nstop?
+      evec.resize(Nstop,grid);// was Nconv
       basisSortInPlace(evec,eval,reverse);
       
     }

Grid/allocator/MemoryManager.cc

@@ -222,6 +222,9 @@ void MemoryManager::InitMessage(void) {
 #ifdef GRID_SYCL
   std::cout << GridLogMessage<< "MemoryManager::Init() Using SYCL malloc_shared"<<std::endl;
 #endif
+#ifdef GRID_OMPTARGET
+  std::cout << GridLogMessage<< "MemoryManager::Init() Using OMPTARGET managed memory"<<std::endl;
+#endif
 #else
   std::cout << GridLogMessage<< "MemoryManager::Init() Non unified: Caching accelerator data in dedicated memory"<<std::endl;
 #ifdef GRID_CUDA
@@ -233,6 +236,9 @@ void MemoryManager::InitMessage(void) {
 #ifdef GRID_SYCL
   std::cout << GridLogMessage<< "MemoryManager::Init() Using SYCL malloc_device"<<std::endl;
 #endif
+#ifdef GRID_OMPTARGET
+  std::cout << GridLogMessage<< "MemoryManager::Init() Using OMPTARGET omp_alloc_device"<<std::endl;
+#endif
 #endif
 
 }

Grid/allocator/MemoryManagerCache.cc

@@ -519,7 +519,6 @@ void MemoryManager::Audit(std::string s)
   uint64_t LruBytes1=0;
   uint64_t LruBytes2=0;
   uint64_t LruCnt=0;
-  uint64_t LockedBytes=0;
   
   std::cout << " Memory Manager::Audit() from "<<s<<std::endl;
   for(auto it=LRU.begin();it!=LRU.end();it++){

Grid/communicator/Communicator_none.cc

@@ -128,7 +128,7 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
 							 int recv_from_rank,int dor,
 							 int xbytes,int rbytes, int dir)
 {
-  return 2.0*bytes;
+  return xbytes+rbytes;
 }
 void CartesianCommunicator::StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &waitall,int dir)
 {

Grid/communicator/SharedMemory.cc

@@ -91,6 +91,59 @@ void *SharedMemory::ShmBufferSelf(void)
   //std::cerr << "ShmBufferSelf "<<ShmRank<<" "<<std::hex<< ShmCommBufs[ShmRank] <<std::dec<<std::endl;
   return ShmCommBufs[ShmRank];
 }
+static inline int divides(int a,int b)
+{
+  return ( b == ( (b/a)*a ) );
+}
+void GlobalSharedMemory::GetShmDims(const Coordinate &WorldDims,Coordinate &ShmDims)
+{
+  ////////////////////////////////////////////////////////////////
+  // Allow user to configure through environment variable
+  ////////////////////////////////////////////////////////////////
+  char* str = getenv(("GRID_SHM_DIMS_" + std::to_string(ShmDims.size())).c_str());
+  if ( str ) {
+    std::vector<int> IntShmDims;
+    GridCmdOptionIntVector(std::string(str),IntShmDims);
+    assert(IntShmDims.size() == WorldDims.size());
+    long ShmSize = 1;
+    for (int dim=0;dim<WorldDims.size();dim++) {
+      ShmSize *= (ShmDims[dim] = IntShmDims[dim]);
+      assert(divides(ShmDims[dim],WorldDims[dim]));
+    }
+    assert(ShmSize == WorldShmSize);
+    return;
+  }
+  
+  ////////////////////////////////////////////////////////////////
+  // Powers of 2,3,5 only in prime decomposition for now
+  ////////////////////////////////////////////////////////////////
+  int ndimension = WorldDims.size();
+  ShmDims=Coordinate(ndimension,1);
+
+  std::vector<int> primes({2,3,5});
+
+  int dim = 0;
+  int last_dim = ndimension - 1;
+  int AutoShmSize = 1;
+  while(AutoShmSize != WorldShmSize) {
+    int p;
+    for(p=0;p<primes.size();p++) {
+      int prime=primes[p];
+      if ( divides(prime,WorldDims[dim]/ShmDims[dim])
+        && divides(prime,WorldShmSize/AutoShmSize)  ) {
+  AutoShmSize*=prime;
+  ShmDims[dim]*=prime;
+  last_dim = dim;
+  break;
+      }
+    }
+    if (p == primes.size() && last_dim == dim) {
+      std::cerr << "GlobalSharedMemory::GetShmDims failed" << std::endl;
+      exit(EXIT_FAILURE);
+    }
+    dim=(dim+1) %ndimension;
+  }
+}
 
 NAMESPACE_END(Grid); 
 

Grid/communicator/SharedMemoryMPI.cc

@@ -27,9 +27,10 @@ Author: Christoph Lehner <christoph@lhnr.de>
 *************************************************************************************/
 /*  END LEGAL */
 
+#define Mheader "SharedMemoryMpi: "
+
 #include <Grid/GridCore.h>
 #include <pwd.h>
-#include <syscall.h>
 
 #ifdef GRID_CUDA
 #include <cuda_runtime_api.h>
@@ -39,11 +40,118 @@ Author: Christoph Lehner <christoph@lhnr.de>
 #endif
 #ifdef GRID_SYCL
 #define GRID_SYCL_LEVEL_ZERO_IPC
+#include <syscall.h>
+#define SHM_SOCKETS 
+#endif
+
+#include <sys/socket.h>
+#include <sys/un.h>
+
+NAMESPACE_BEGIN(Grid); 
+
+#ifdef SHM_SOCKETS
+
+/*
+ * Barbaric extra intranode communication route in case we need sockets to pass FDs
+ * Forced by level_zero not being nicely designed
+ */
+static int sock;
+static const char *sock_path_fmt = "/tmp/GridUnixSocket.%d";
+static char sock_path[256];
+class UnixSockets {
+public:
+  static void Open(int rank)
+  {
+    int errnum;
+
+    sock = socket(AF_UNIX, SOCK_DGRAM, 0);  assert(sock>0);
+
+    struct sockaddr_un sa_un = { 0 };
+    sa_un.sun_family = AF_UNIX;
+    snprintf(sa_un.sun_path, sizeof(sa_un.sun_path),sock_path_fmt,rank);
+    unlink(sa_un.sun_path);
+    if (bind(sock, (struct sockaddr *)&sa_un, sizeof(sa_un))) {
+      perror("bind failure");
+      exit(EXIT_FAILURE);
+    }
+  }
+
+  static int RecvFileDescriptor(void)
+  {
+    int n;
+    int fd;
+    char buf[1];
+    struct iovec iov;
+    struct msghdr msg;
+    struct cmsghdr *cmsg;
+    char cms[CMSG_SPACE(sizeof(int))];
+
+    iov.iov_base = buf;
+    iov.iov_len = 1;
+
+    memset(&msg, 0, sizeof msg);
+    msg.msg_name = 0;
+    msg.msg_namelen = 0;
+    msg.msg_iov = &iov;
+    msg.msg_iovlen = 1;
+
+    msg.msg_control = (caddr_t)cms;
+    msg.msg_controllen = sizeof cms;
+
+    if((n=recvmsg(sock, &msg, 0)) < 0) {
+      perror("recvmsg failed");
+      return -1;
+    }
+    if(n == 0){
+      perror("recvmsg returned 0");
+      return -1;
+    }
+    cmsg = CMSG_FIRSTHDR(&msg);
+
+    memmove(&fd, CMSG_DATA(cmsg), sizeof(int));
+
+    return fd;
+  }
+
+  static void SendFileDescriptor(int fildes,int xmit_to_rank)
+  {
+    struct msghdr msg;
+    struct iovec iov;
+    struct cmsghdr *cmsg = NULL;
+    char ctrl[CMSG_SPACE(sizeof(int))];
+    char data = ' ';
+
+    memset(&msg, 0, sizeof(struct msghdr));
+    memset(ctrl, 0, CMSG_SPACE(sizeof(int)));
+    iov.iov_base = &data;
+    iov.iov_len = sizeof(data);
+    
+    sprintf(sock_path,sock_path_fmt,xmit_to_rank);
+    
+    struct sockaddr_un sa_un = { 0 };
+    sa_un.sun_family = AF_UNIX;
+    snprintf(sa_un.sun_path, sizeof(sa_un.sun_path),sock_path_fmt,xmit_to_rank);
+
+    msg.msg_name = (void *)&sa_un;
+    msg.msg_namelen = sizeof(sa_un);
+    msg.msg_iov = &iov;
+    msg.msg_iovlen = 1;
+    msg.msg_controllen =  CMSG_SPACE(sizeof(int));
+    msg.msg_control = ctrl;
+
+    cmsg = CMSG_FIRSTHDR(&msg);
+    cmsg->cmsg_level = SOL_SOCKET;
+    cmsg->cmsg_type = SCM_RIGHTS;
+    cmsg->cmsg_len = CMSG_LEN(sizeof(int));
+
+    *((int *) CMSG_DATA(cmsg)) = fildes;
+
+    sendmsg(sock, &msg, 0);
+  };
+};
 #endif
 
 
-NAMESPACE_BEGIN(Grid); 
-#define header "SharedMemoryMpi: "
 /*Construct from an MPI communicator*/
 void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
 {
@@ -66,8 +174,8 @@ void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
   MPI_Comm_size(WorldShmComm     ,&WorldShmSize);
 
   if ( WorldRank == 0) {
-    std::cout << header " World communicator of size " <<WorldSize << std::endl;  
+    std::cout << Mheader " World communicator of size " <<WorldSize << std::endl;  
-    std::cout << header " Node  communicator of size " <<WorldShmSize << std::endl;
+    std::cout << Mheader " Node  communicator of size " <<WorldShmSize << std::endl;
   }
   // WorldShmComm, WorldShmSize, WorldShmRank
 
@@ -170,59 +278,7 @@ void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_M
   if(nscan==3 && HPEhypercube ) OptimalCommunicatorHypercube(processors,optimal_comm,SHM);
   else                          OptimalCommunicatorSharedMemory(processors,optimal_comm,SHM);
 }
-static inline int divides(int a,int b)
-{
-  return ( b == ( (b/a)*a ) );
-}
-void GlobalSharedMemory::GetShmDims(const Coordinate &WorldDims,Coordinate &ShmDims)
-{
-  ////////////////////////////////////////////////////////////////
-  // Allow user to configure through environment variable
-  ////////////////////////////////////////////////////////////////
-  char* str = getenv(("GRID_SHM_DIMS_" + std::to_string(ShmDims.size())).c_str());
-  if ( str ) {
-    std::vector<int> IntShmDims;
-    GridCmdOptionIntVector(std::string(str),IntShmDims);
-    assert(IntShmDims.size() == WorldDims.size());
-    long ShmSize = 1;
-    for (int dim=0;dim<WorldDims.size();dim++) {
-      ShmSize *= (ShmDims[dim] = IntShmDims[dim]);
-      assert(divides(ShmDims[dim],WorldDims[dim]));
-    }
-    assert(ShmSize == WorldShmSize);
-    return;
-  }
 
-  ////////////////////////////////////////////////////////////////
-  // Powers of 2,3,5 only in prime decomposition for now
-  ////////////////////////////////////////////////////////////////
-  int ndimension = WorldDims.size();
-  ShmDims=Coordinate(ndimension,1);
-
-  std::vector<int> primes({2,3,5});
-
-  int dim = 0;
-  int last_dim = ndimension - 1;
-  int AutoShmSize = 1;
-  while(AutoShmSize != WorldShmSize) {
-    int p;
-    for(p=0;p<primes.size();p++) {
-      int prime=primes[p];
-      if ( divides(prime,WorldDims[dim]/ShmDims[dim])
-        && divides(prime,WorldShmSize/AutoShmSize)  ) {
-	AutoShmSize*=prime;
-	ShmDims[dim]*=prime;
-	last_dim = dim;
-	break;
-      }
-    }
-    if (p == primes.size() && last_dim == dim) {
-      std::cerr << "GlobalSharedMemory::GetShmDims failed" << std::endl;
-      exit(EXIT_FAILURE);
-    }
-    dim=(dim+1) %ndimension;
-  }
-}
 void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
   ////////////////////////////////////////////////////////////////
@@ -396,7 +452,7 @@ void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &proce
 #ifdef GRID_MPI3_SHMGET
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << header "SharedMemoryAllocate "<< bytes<< " shmget implementation "<<std::endl;
+  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " shmget implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
 
@@ -481,7 +537,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     exit(EXIT_FAILURE);  
   }
 
-  std::cout << WorldRank << header " SharedMemoryMPI.cc acceleratorAllocDevice "<< bytes 
+  std::cout << WorldRank << Mheader " SharedMemoryMPI.cc acceleratorAllocDevice "<< bytes 
 	    << "bytes at "<< std::hex<< ShmCommBuf <<std::dec<<" for comms buffers " <<std::endl;
 
   SharedMemoryZero(ShmCommBuf,bytes);
@@ -524,7 +580,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     exit(EXIT_FAILURE);  
   }
   if ( WorldRank == 0 ){
-    std::cout << WorldRank << header " SharedMemoryMPI.cc acceleratorAllocDevice "<< bytes 
+    std::cout << WorldRank << Mheader " SharedMemoryMPI.cc acceleratorAllocDevice "<< bytes 
 	      << "bytes at "<< std::hex<< ShmCommBuf << " - "<<(bytes-1+(uint64_t)ShmCommBuf) <<std::dec<<" for comms buffers " <<std::endl;
   }
   SharedMemoryZero(ShmCommBuf,bytes);
@@ -532,8 +588,13 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
   ///////////////////////////////////////////////////////////////////////////////////////////////////////////
   // Loop over ranks/gpu's on our node
   ///////////////////////////////////////////////////////////////////////////////////////////////////////////
+#ifdef SHM_SOCKETS
+  UnixSockets::Open(WorldShmRank);
+#endif
   for(int r=0;r<WorldShmSize;r++){
 
+    MPI_Barrier(WorldShmComm);
+
 #ifndef GRID_MPI3_SHM_NONE
     //////////////////////////////////////////////////
     // If it is me, pass around the IPC access key
@@ -541,10 +602,10 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     void * thisBuf = ShmCommBuf;
     if(!Stencil_force_mpi) {
 #ifdef GRID_SYCL_LEVEL_ZERO_IPC
-    typedef struct { int fd; pid_t pid ; } clone_mem_t;
+    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::level_zero>(theGridAccelerator->get_device());
+    auto zeDevice    = cl::sycl::get_native<cl::sycl::backend::ext_oneapi_level_zero>(theGridAccelerator->get_device());
-    auto zeContext   = cl::sycl::get_native<cl::sycl::backend::level_zero>(theGridAccelerator->get_context());
+    auto zeContext   = cl::sycl::get_native<cl::sycl::backend::ext_oneapi_level_zero>(theGridAccelerator->get_context());
       
     ze_ipc_mem_handle_t ihandle;
     clone_mem_t handle;
@@ -552,13 +613,21 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     if ( r==WorldShmRank ) { 
       auto err = zeMemGetIpcHandle(zeContext,ShmCommBuf,&ihandle);
       if ( err != ZE_RESULT_SUCCESS ) {
-	std::cout << "SharedMemoryMPI.cc zeMemGetIpcHandle failed for rank "<<r<<" "<<std::hex<<err<<std::dec<<std::endl;
+	std::cerr << "SharedMemoryMPI.cc zeMemGetIpcHandle failed for rank "<<r<<" "<<std::hex<<err<<std::dec<<std::endl;
 	exit(EXIT_FAILURE);
       } else {
 	std::cout << "SharedMemoryMPI.cc zeMemGetIpcHandle succeeded for rank "<<r<<" "<<std::hex<<err<<std::dec<<std::endl;
       }
       memcpy((void *)&handle.fd,(void *)&ihandle,sizeof(int));
       handle.pid = getpid();
+      memcpy((void *)&handle.ze,(void *)&ihandle,sizeof(ihandle));
+#ifdef SHM_SOCKETS
+      for(int rr=0;rr<WorldShmSize;rr++){
+	if(rr!=r){
+	  UnixSockets::SendFileDescriptor(handle.fd,rr);
+	}
+      }
+#endif
     }
 #endif
 #ifdef GRID_CUDA
@@ -586,6 +655,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     // Share this IPC handle across the Shm Comm
     //////////////////////////////////////////////////
     { 
+      MPI_Barrier(WorldShmComm);
       int ierr=MPI_Bcast(&handle,
 			 sizeof(handle),
 			 MPI_BYTE,
@@ -601,6 +671,10 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 #ifdef GRID_SYCL_LEVEL_ZERO_IPC
     if ( r!=WorldShmRank ) {
       thisBuf = nullptr;
+      int myfd;
+#ifdef SHM_SOCKETS
+      myfd=UnixSockets::RecvFileDescriptor();
+#else
       std::cout<<"mapping seeking remote pid/fd "
 	       <<handle.pid<<"/"
 	       <<handle.fd<<std::endl;
@@ -608,16 +682,22 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
       int pidfd = syscall(SYS_pidfd_open,handle.pid,0);
       std::cout<<"Using IpcHandle pidfd "<<pidfd<<"\n";
       //      int myfd  = syscall(SYS_pidfd_getfd,pidfd,handle.fd,0);
-      int myfd  = syscall(438,pidfd,handle.fd,0);
+      myfd  = syscall(438,pidfd,handle.fd,0);
-
+      int err_t = errno;
-      std::cout<<"Using IpcHandle myfd "<<myfd<<"\n";
+      if (myfd < 0) {
-      
+        fprintf(stderr,"pidfd_getfd returned %d errno was %d\n", myfd,err_t); fflush(stderr);
+	perror("pidfd_getfd failed ");
+	assert(0);
+      }
+#endif
+      std::cout<<"Using IpcHandle mapped remote pid "<<handle.pid <<" FD "<<handle.fd <<" to myfd "<<myfd<<"\n";
+      memcpy((void *)&ihandle,(void *)&handle.ze,sizeof(ihandle));
       memcpy((void *)&ihandle,(void *)&myfd,sizeof(int));
 
       auto err = zeMemOpenIpcHandle(zeContext,zeDevice,ihandle,0,&thisBuf);
       if ( err != ZE_RESULT_SUCCESS ) {
-	std::cout << "SharedMemoryMPI.cc "<<zeContext<<" "<<zeDevice<<std::endl;
+	std::cerr << "SharedMemoryMPI.cc "<<zeContext<<" "<<zeDevice<<std::endl;
-	std::cout << "SharedMemoryMPI.cc zeMemOpenIpcHandle failed for rank "<<r<<" "<<std::hex<<err<<std::dec<<std::endl; 
+	std::cerr << "SharedMemoryMPI.cc zeMemOpenIpcHandle failed for rank "<<r<<" "<<std::hex<<err<<std::dec<<std::endl; 
 	exit(EXIT_FAILURE);
       } else {
 	std::cout << "SharedMemoryMPI.cc zeMemOpenIpcHandle succeeded for rank "<<r<<std::endl;
@@ -652,6 +732,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 #else
     WorldShmCommBufs[r] = ShmCommBuf;
 #endif
+    MPI_Barrier(WorldShmComm);
   }
 
   _ShmAllocBytes=bytes;
@@ -663,7 +744,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 #ifdef GRID_MPI3_SHMMMAP
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 {
-  std::cout << header "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<< GRID_SHM_PATH <<std::endl;
+  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " MMAP implementation "<< GRID_SHM_PATH <<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
   //////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -700,7 +781,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
     assert(((uint64_t)ptr&0x3F)==0);
     close(fd);
     WorldShmCommBufs[r] =ptr;
-    //    std::cout << header "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
+    //    std::cout << Mheader "Set WorldShmCommBufs["<<r<<"]="<<ptr<< "("<< bytes<< "bytes)"<<std::endl;
   }
   _ShmAlloc=1;
   _ShmAllocBytes  = bytes;
@@ -710,7 +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 << header "SharedMemoryAllocate "<< bytes<< " MMAP anonymous implementation "<<std::endl;
+  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " MMAP anonymous implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0);
   //////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -757,7 +838,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 ////////////////////////////////////////////////////////////////////////////////////////////
 void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
 { 
-  std::cout << header "SharedMemoryAllocate "<< bytes<< " SHMOPEN implementation "<<std::endl;
+  std::cout << Mheader "SharedMemoryAllocate "<< bytes<< " SHMOPEN implementation "<<std::endl;
   assert(_ShmSetup==1);
   assert(_ShmAlloc==0); 
   MPI_Barrier(WorldShmComm);

Grid/communicator/SharedMemoryNone.cc

@@ -68,7 +68,8 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
   ///////////////////////////////////////////////////////////////////////////////////////////////////////////
   // Each MPI rank should allocate our own buffer
   ///////////////////////////////////////////////////////////////////////////////////////////////////////////
-  ShmCommBuf = acceleratorAllocDevice(bytes);
+  ShmCommBuf = acceleratorAllocShared(bytes);
+  //ShmCommBuf = acceleratorAllocDevice(bytes);
 
   if (ShmCommBuf == (void *)NULL ) {
     std::cerr << " SharedMemoryNone.cc acceleratorAllocDevice failed NULL pointer for " << bytes<<" bytes " << std::endl;

Grid/cshift/Cshift_common.h

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

Grid/cshift/Cshift_mpi.h

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

Grid/cshift/Cshift_table.cc

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

Grid/lattice/Lattice.h

@@ -47,3 +47,4 @@ 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

@@ -345,7 +345,9 @@ 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));
@@ -456,7 +458,9 @@ 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_arith.h

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

Grid/lattice/Lattice_basis.h

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

Grid/lattice/Lattice_reduction.h

@@ -251,10 +251,10 @@ inline ComplexD rankInnerProduct(const Lattice<vobj> &left,const Lattice<vobj> &
     autoView( right_v,right, AcceleratorRead);
     // This code could read coalesce
     // GPU - SIMT lane compliance...
-    accelerator_for( ss, sites, nsimd,{
+    accelerator_for( ss, sites, 1,{
-	auto x_l = left_v(ss);
+        auto x_l = left_v[ss];
-	auto y_l = right_v(ss);
+        auto y_l = right_v[ss];
-	coalescedWrite(inner_tmp_v[ss],innerProductD(x_l,y_l));
+        inner_tmp_v[ss]=innerProductD(x_l,y_l);
     });
   }
 #else
@@ -267,11 +267,18 @@ inline ComplexD rankInnerProduct(const Lattice<vobj> &left,const Lattice<vobj> &
     autoView( right_v,right, AcceleratorRead);
 
     // GPU - SIMT lane compliance...
-    accelerator_for( ss, sites, nsimd,{
+    //accelerator_for( ss, sites, nsimd,{
-	auto x_l = left_v(ss);
+    //    auto x_l = left_v(ss);
-	auto y_l = right_v(ss);
+    //    auto y_l = right_v(ss);
-	coalescedWrite(inner_tmp_v[ss],innerProduct(x_l,y_l));
+    //    coalescedWrite(inner_tmp_v[ss],innerProduct(x_l,y_l));
-    });
+    //});
+    #pragma omp target map ( to:left_v, right_v ) map ( tofrom:inner_tmp_v )
+    #pragma omp teams distribute parallel for thread_limit(THREAD_LIMIT) //nowait
+    for ( uint64_t ss=0;ss<sites;ss++) { 
+        auto x_l = left_v[ss];
+        auto y_l = right_v[ss];
+        coalescedWrite(inner_tmp_v[ss],innerProduct(x_l,y_l));
+    }
   }
 #endif
   // This is in single precision and fails some tests

Grid/lattice/Lattice_reduction_gpu.h

@@ -30,7 +30,10 @@ int getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator &
   cudaGetDevice(&device);
 #endif
 #ifdef GRID_HIP
-  hipGetDevice(&device);
+  auto r=hipGetDevice(&device);
+#endif
+#ifdef GRID_OMPTARGET
+  device = omp_get_device_num();  
 #endif
 
   Iterator warpSize            = gpu_props[device].warpSize;

Grid/lattice/Lattice_rng.h

@@ -152,6 +152,7 @@ public:
 #ifdef RNG_FAST_DISCARD
   static void Skip(RngEngine &eng,uint64_t site)
   {
+#if 0
     /////////////////////////////////////////////////////////////////////////////////////
     // Skip by 2^40 elements between successive lattice sites
     // This goes by 10^12.
@@ -162,9 +163,9 @@ public:
     // tens of seconds per trajectory so this is clean in all reasonable cases,
     // and margin of safety is orders of magnitude.
     // We could hack Sitmo to skip in the higher order words of state if necessary
-      //
+    //
-      // Replace with 2^30 ; avoid problem on large volumes
+    // Replace with 2^30 ; avoid problem on large volumes
-      //
+    //
     /////////////////////////////////////////////////////////////////////////////////////
     //      uint64_t skip = site+1;  //   Old init Skipped then drew.  Checked compat with faster init
     const int shift = 30;
@@ -179,6 +180,9 @@ public:
     assert((skip >> shift)==site); // check for overflow
 
     eng.discard(skip);
+#else
+    eng.discardhi(site);
+#endif
     //      std::cout << " Engine  " <<site << " state " <<eng<<std::endl;
   } 
 #endif

Grid/lattice/Lattice_trace.h

@@ -66,6 +66,65 @@ 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

@@ -469,15 +469,13 @@ inline void blockSum(Lattice<vobj> &coarseData,const Lattice<vobj> &fineData)
   Coordinate fine_rdimensions = fine->_rdimensions;
   Coordinate coarse_rdimensions = coarse->_rdimensions;
 
-  vobj zz = Zero();
-  
   accelerator_for(sc,coarse->oSites(),1,{
 
       // One thread per sub block
       Coordinate coor_c(_ndimension);
       Lexicographic::CoorFromIndex(coor_c,sc,coarse_rdimensions);  // Block coordinate
 
-      vobj cd = zz;
+      vobj cd = Zero();
       
       for(int sb=0;sb<blockVol;sb++){
 
@@ -697,8 +695,68 @@ 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;
@@ -707,9 +765,9 @@ void localCopyRegion(const Lattice<vobj> &From,Lattice<vobj> & To,Coordinate Fro
   Coordinate ist = Tg->_istride;
   Coordinate ost = Tg->_ostride;
 
-  autoView( t_v , To, AcceleratorWrite);
+  autoView( t_v , To, CpuWrite);
-  autoView( f_v , From, AcceleratorRead);
+  autoView( f_v , From, CpuRead);
-  accelerator_for(idx,Fg->lSites(),1,{
+  thread_for(idx,Fg->lSites(),{
     sobj s;
     Coordinate Fcoor(nd);
     Coordinate Tcoor(nd);
@@ -722,17 +780,24 @@ void localCopyRegion(const Lattice<vobj> &From,Lattice<vobj> & To,Coordinate Fro
       Tcoor[d] = ToLowerLeft[d]+ Fcoor[d]-FromLowerLeft[d];
     }
     if (in_region) {
-      Integer idx_f = 0; for(int d=0;d<nd;d++) idx_f+=isf[d]*(Fcoor[d]/rdf[d]);
+#if 0      
-      Integer idx_t = 0; for(int d=0;d<nd;d++) idx_t+=ist[d]*(Tcoor[d]/rdt[d]);
+      Integer idx_f = 0; for(int d=0;d<nd;d++) idx_f+=isf[d]*(Fcoor[d]/rdf[d]); // inner index from
-      Integer odx_f = 0; for(int d=0;d<nd;d++) odx_f+=osf[d]*(Fcoor[d]%rdf[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_t = 0; for(int d=0;d<nd;d++) odx_t+=ost[d]*(Tcoor[d]%rdt[d]);
+      Integer odx_f = 0; for(int d=0;d<nd;d++) odx_f+=osf[d]*(Fcoor[d]%rdf[d]); // outer index from
-      vector_type * fp = (vector_type *)&f_v[odx_f];
+      Integer odx_t = 0; for(int d=0;d<nd;d++) odx_t+=ost[d]*(Tcoor[d]%rdt[d]); // outer index to
-      vector_type * tp = (vector_type *)&t_v[odx_t];
+      scalar_type * fp = (scalar_type *)&f_v[odx_f];
+      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
 }
 
 
@@ -825,6 +890,8 @@ 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)
 {
@@ -841,11 +908,70 @@ void InsertSliceLocal(const Lattice<vobj> &lowDim, Lattice<vobj> & higherDim,int
 
   for(int d=0;d<nh;d++){
     if ( d!=orthog ) {
-    assert(lg->_processors[d]  == hg->_processors[d]);
+      assert(lg->_processors[d]  == hg->_processors[d]);
-    assert(lg->_ldimensions[d] == hg->_ldimensions[d]);
+      assert(lg->_ldimensions[d] == hg->_ldimensions[d]);
-  }
+    }
   }
 
+#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);
@@ -861,6 +987,7 @@ void InsertSliceLocal(const Lattice<vobj> &lowDim, Lattice<vobj> & higherDim,int
       pokeLocalSite(s,higherDimv,hcoor);
     }
   });
+#endif
 }
 
 

Grid/lattice/Lattice_view.h

@@ -45,6 +45,7 @@ public:
   };
   // Host only
   GridBase * getGrid(void) const { return _grid; };
+  vobj* getHostPointer(void) const { return _odata; };
 };
 
 /////////////////////////////////////////////////////////////////////////////////////////
@@ -79,7 +80,7 @@ public:
   accelerator_inline uint64_t end(void)   const { return this->_odata_size; };
   accelerator_inline uint64_t size(void)  const { return this->_odata_size; };
 
-  LatticeView(const LatticeAccelerator<vobj> &refer_to_me) : LatticeAccelerator<vobj> (refer_to_me){}
+  LatticeView(const LatticeAccelerator<vobj> &refer_to_me) : LatticeAccelerator<vobj> (refer_to_me){ }
   LatticeView(const LatticeView<vobj> &refer_to_me) = default; // Trivially copyable
   LatticeView(const LatticeAccelerator<vobj> &refer_to_me,ViewMode mode) : LatticeAccelerator<vobj> (refer_to_me)
   {

Grid/lattice/PaddedCell.h

@@ -0,0 +1,174 @@
+/*************************************************************************************
+    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

@@ -104,6 +104,7 @@ 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> > >;
@@ -178,6 +179,15 @@ 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;
@@ -307,6 +317,10 @@ 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

@@ -34,10 +34,24 @@ 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;
@@ -77,16 +91,60 @@ 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(){}
 };
 
+template <class GaugeField >
+class EmptyAction : public Action <GaugeField>
+{
+  virtual void refresh(const GaugeField& U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) { assert(0);}; // refresh pseudofermions
+  virtual RealD S(const GaugeField& U) { return 0.0;};                             // evaluate the action
+  virtual void deriv(const GaugeField& U, GaugeField& dSdU) { assert(0); };        // evaluate the action derivative
+
+  ///////////////////////////////
+  // Logging
+  ///////////////////////////////
+  virtual std::string action_name()    { return std::string("Level Force Log"); };
+  virtual std::string LogParameters()  { return std::string("No parameters");};
+};
+
+
+
 NAMESPACE_END(Grid);
 
 #endif // ACTION_BASE_H

Grid/qcd/action/ActionCore.h

@@ -30,6 +30,8 @@ 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>

Grid/qcd/action/fermion/Fermion.h

@@ -126,6 +126,16 @@ 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/WilsonCompressor.h

@@ -507,6 +507,7 @@ public:
     }
     this->face_table_computed=1;
     assert(this->u_comm_offset==this->_unified_buffer_size);
+    accelerator_barrier();
   }
 
 };

Grid/qcd/action/fermion/WilsonImpl.h

@@ -261,6 +261,22 @@ 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/WilsonTMFermion.h

@@ -63,6 +63,8 @@ public:
   virtual void MooeeDag(const FermionField &in, FermionField &out) ;
   virtual void MooeeInv(const FermionField &in, FermionField &out) ;
   virtual void MooeeInvDag(const FermionField &in, FermionField &out) ;
+  virtual void M(const FermionField &in, FermionField &out) ;
+  virtual void Mdag(const FermionField &in, FermionField &out) ;
   
 private:
   RealD mu; // TwistedMass parameter

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

@@ -332,8 +332,7 @@ void WilsonFermion5D<Impl>::DhopInternalOverlappedComms(StencilImpl & st, Lebesg
   /////////////////////////////
   {
     GRID_TRACE("Gather");
-    st.HaloExchangeOptGather(in,compressor);
+    st.HaloExchangeOptGather(in,compressor); // Put the barrier in the routine
-    accelerator_barrier();
   }
   
   std::vector<std::vector<CommsRequest_t> > requests;

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

@@ -423,14 +423,14 @@ 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(), {				\
       int sF = ptr[ss];							\
-      int sU = ss/Ls;							\
+      int sU = sF/Ls;							\
       WilsonKernels<Impl>::A(st_v,U_v,buf,sF,sU,in_v,out_v);		\
-    });									
+    });									\
+  accelerator_barrier();
 
 #define ASM_CALL(A)							\
   thread_for( sss, Nsite, {						\
@@ -474,9 +474,10 @@ void WilsonKernels<Impl>::DhopKernel(int Opt,StencilImpl &st,  DoubledGaugeField
      if (Opt == WilsonKernelsStatic::OptInlineAsm  ) {  ASM_CALL(AsmDhopSiteInt);    return;}
 #endif
    } else if( exterior ) {
+     // dependent on result of merge
      acceleratorFenceComputeStream();
-     if (Opt == WilsonKernelsStatic::OptGeneric    ) { KERNEL_CALL(GenericDhopSiteExt); return;}
+     if (Opt == WilsonKernelsStatic::OptGeneric    ) { KERNEL_CALL_EXT(GenericDhopSiteExt); return;}
-     if (Opt == WilsonKernelsStatic::OptHandUnroll ) { KERNEL_CALL(HandDhopSiteExt);    return;}
+     if (Opt == WilsonKernelsStatic::OptHandUnroll ) { KERNEL_CALL_EXT(HandDhopSiteExt);    return;}
 #ifndef GRID_CUDA
      if (Opt == WilsonKernelsStatic::OptInlineAsm  ) {  ASM_CALL(AsmDhopSiteExt);    return;}
 #endif
@@ -506,9 +507,10 @@ void WilsonKernels<Impl>::DhopKernel(int Opt,StencilImpl &st,  DoubledGaugeField
      if (Opt == WilsonKernelsStatic::OptInlineAsm  ) {  ASM_CALL(AsmDhopSiteDagInt);     return;}
 #endif
    } else if( exterior ) {
+     // Dependent on result of merge
      acceleratorFenceComputeStream();
-     if (Opt == WilsonKernelsStatic::OptGeneric    ) { KERNEL_CALL(GenericDhopSiteDagExt); return;}
+     if (Opt == WilsonKernelsStatic::OptGeneric    ) { KERNEL_CALL_EXT(GenericDhopSiteDagExt); return;}
-     if (Opt == WilsonKernelsStatic::OptHandUnroll ) { KERNEL_CALL(HandDhopSiteDagExt);    return;}
+     if (Opt == WilsonKernelsStatic::OptHandUnroll ) { KERNEL_CALL_EXT(HandDhopSiteDagExt);    return;}
 #ifndef GRID_CUDA
      if (Opt == WilsonKernelsStatic::OptInlineAsm  ) {  ASM_CALL(AsmDhopSiteDagExt);     return;}
 #endif

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

@@ -10,12 +10,18 @@ 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

@@ -39,6 +39,9 @@ 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

@@ -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 GaugeImplTypes {
+template <class S, int Nrepresentation = Nc, int Nexp = 12, class Group = SU<Nc> > class GaugeImplTypes {
 public:
   typedef S Simd;
   typedef typename Simd::scalar_type scalar_type;
@@ -78,8 +78,6 @@ 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
@@ -119,6 +117,7 @@ public:
     //
     LinkField Pmu(P.Grid());
     Pmu = Zero();
+
     for (int mu = 0; mu < Nd; mu++) {
       Group::GaussianFundamentalLieAlgebraMatrix(pRNG, Pmu);
       RealD scale = ::sqrt(HMC_MOMENTUM_DENOMINATOR) ;
@@ -127,7 +126,11 @@ public:
     }
   }
     
-  static inline Field projectForce(Field &P) { return Ta(P); }
+  static inline Field projectForce(Field &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;
@@ -137,7 +140,8 @@ public:
     autoView(P_v,P,AcceleratorRead);
     accelerator_for(ss, P.Grid()->oSites(),1,{
       for (int mu = 0; mu < Nd; mu++) {
-        U_v[ss](mu) = ProjectOnGroup(Exponentiate(P_v[ss](mu), ep, Nexp) * U_v[ss](mu));
+          U_v[ss](mu) = 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();
@@ -157,7 +161,7 @@ public:
   }
 
   static inline void Project(Field &U) {
-    ProjectSUn(U);
+    Group::ProjectOnSpecialGroup(U);
   }
 
   static inline void HotConfiguration(GridParallelRNG &pRNG, Field &U) {
@@ -171,6 +175,7 @@ public:
   static inline void ColdConfiguration(GridParallelRNG &pRNG, Field &U) {
     Group::ColdConfiguration(pRNG, U);
   }
+
 };
 
 
@@ -178,10 +183,17 @@ 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(std::vector<int> &conjDirs) { _conjDirs=conjDirs; }
+  static inline void       setDirections(const std::vector<int> &conjDirs) { _conjDirs=conjDirs; }
   static inline std::vector<int> getDirections(void) { return _conjDirs; }
   static inline bool isPeriodicGaugeField(void) { return false; }
 };
@@ -193,6 +193,11 @@ 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){};
 
@@ -79,27 +79,18 @@ 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;
-      // Staple in direction mu
+      dSdU_mu = dSdU_mu + Ta(U[mu]*RectStaple[mu])*factor_r;
-
-      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/pseudofermion/GeneralEvenOddRationalRatioMixedPrec.h

@@ -53,9 +53,10 @@ NAMESPACE_BEGIN(Grid);
       Integer ReliableUpdateFreq;
     protected:
 
+      //Action evaluation
       //Allow derived classes to override the multishift CG
       virtual void multiShiftInverse(bool numerator, const MultiShiftFunction &approx, const Integer MaxIter, const FermionFieldD &in, FermionFieldD &out){
-#if 0
+#if 1
 	SchurDifferentiableOperator<ImplD> schurOp(numerator ? NumOpD : DenOpD);
 	ConjugateGradientMultiShift<FermionFieldD> msCG(MaxIter, approx);
 	msCG(schurOp,in, out);
@@ -70,9 +71,10 @@ NAMESPACE_BEGIN(Grid);
 	msCG(schurOpD, in, out);
 #endif
       }
+      //Force evaluation
       virtual void multiShiftInverse(bool numerator, const MultiShiftFunction &approx, const Integer MaxIter, const FermionFieldD &in, std::vector<FermionFieldD> &out_elems, FermionFieldD &out){
 	SchurDifferentiableOperator<ImplD> schurOpD(numerator ? NumOpD : DenOpD);
-	SchurDifferentiableOperator<ImplF>  schurOpF (numerator ? NumOpF  : DenOpF);
+	SchurDifferentiableOperator<ImplF>  schurOpF(numerator ? NumOpF  : DenOpF);
 
 	FermionFieldD inD(NumOpD.FermionRedBlackGrid());
 	FermionFieldD outD(NumOpD.FermionRedBlackGrid());
@@ -84,20 +86,15 @@ NAMESPACE_BEGIN(Grid);
       virtual void ImportGauge(const typename ImplD::GaugeField &Ud){
 
 	typename ImplF::GaugeField Uf(NumOpF.GaugeGrid());
-	typename ImplD::GaugeField Ud2(NumOpD.GaugeGrid());
 	precisionChange(Uf, Ud);
-	precisionChange(Ud2, Ud);
 
-	std::cout << "Importing "<<norm2(Ud)<<" "<< norm2(Uf)<<" " << norm2(Ud2)<<std::endl;
+	std::cout << "Importing "<<norm2(Ud)<<" "<< norm2(Uf)<<" " <<std::endl;
 	
 	NumOpD.ImportGauge(Ud);
 	DenOpD.ImportGauge(Ud);
 
 	NumOpF.ImportGauge(Uf);
 	DenOpF.ImportGauge(Uf);
-
-	NumOpD.ImportGauge(Ud2);
-	DenOpD.ImportGauge(Ud2);
       }
       
     public:

Grid/qcd/action/pseudofermion/TwoFlavourEvenOddRatio.h

@@ -207,20 +207,27 @@ NAMESPACE_BEGIN(Grid);
         //X = (Mdag M)^-1 V^dag phi
         //Y = (Mdag)^-1 V^dag  phi
         Vpc.MpcDag(PhiOdd,Y);          // Y= Vdag phi
+	std::cout << GridLogMessage <<" Y "<<norm2(Y)<<std::endl;
         X=Zero();
         DerivativeSolver(Mpc,Y,X);     // X= (MdagM)^-1 Vdag phi
+	std::cout << GridLogMessage <<" X "<<norm2(X)<<std::endl;
         Mpc.Mpc(X,Y);                  // Y=  Mdag^-1 Vdag phi
+	std::cout << GridLogMessage <<" Y "<<norm2(Y)<<std::endl;
 
         // phi^dag V (Mdag M)^-1 dV^dag  phi
         Vpc.MpcDagDeriv(force , X, PhiOdd );   dSdU = force;
+	std::cout << GridLogMessage <<" deriv "<<norm2(force)<<std::endl;
   
         // phi^dag dV (Mdag M)^-1 V^dag  phi
         Vpc.MpcDeriv(force , PhiOdd, X );      dSdU = dSdU+force;
+	std::cout << GridLogMessage <<" deriv "<<norm2(force)<<std::endl;
 
         //    -    phi^dag V (Mdag M)^-1 Mdag dM   (Mdag M)^-1 V^dag  phi
         //    -    phi^dag V (Mdag M)^-1 dMdag M   (Mdag M)^-1 V^dag  phi
         Mpc.MpcDeriv(force,Y,X);              dSdU = dSdU-force;
+	std::cout << GridLogMessage <<" deriv "<<norm2(force)<<std::endl;
         Mpc.MpcDagDeriv(force,X,Y);           dSdU = dSdU-force;
+	std::cout << GridLogMessage <<" deriv "<<norm2(force)<<std::endl;
 
         // FIXME No force contribution from EvenEven assumed here
         // Needs a fix for clover.

Grid/qcd/hmc/GenericHMCrunner.h

@@ -225,6 +225,18 @@ 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

@@ -284,11 +284,12 @@ 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, Ucur, sRNG, pRNG);
+        Observables[obs]->TrajectoryComplete(traj + 1, TheIntegrator.Smearer, sRNG, pRNG);
       }
       std::cout << GridLogHMC << ":::::::::::::::::::::::::::::::::::::::::::" << std::endl;
     }

Grid/qcd/hmc/checkpointers/BaseCheckpointer.h

@@ -35,13 +35,16 @@ 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 rn = "rng",
+  CheckpointerParameters(std::string cf = "cfg", std::string sf="cfg_smr" , 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){};
@@ -61,13 +64,21 @@ template <class Impl>
 class BaseHmcCheckpointer : public HmcObservable<typename Impl::Field> {
 public:
   void build_filenames(int traj, CheckpointerParameters &Params,
-                       std::string &conf_file, std::string &rng_file) {
+                       std::string &conf_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;
@@ -84,6 +95,11 @@ 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

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

@@ -69,17 +69,27 @@ public:
     }
   }
 
-  void TrajectoryComplete(int traj, GaugeField &U, GridSerialRNG &sRNG,
+  void TrajectoryComplete(int traj,
+			  ConfigurationBase<GaugeField> &SmartConfig,
+			  GridSerialRNG &sRNG,
                           GridParallelRNG &pRNG) {
     if ((traj % Params.saveInterval) == 0) {
-      std::string config, rng;
+      std::string config, rng, smr;
       this->build_filenames(traj, Params, config, rng);
-      GridBase *grid = U.Grid();
+      GridBase *grid = SmartConfig.get_U(false).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>(U, traj, config, config);
+      _IldgWriter.writeConfiguration<GaugeStats>(SmartConfig.get_U(false), traj, config, config);
       _IldgWriter.close();
 
       std::cout << GridLogMessage << "Written ILDG Configuration on " << config
@@ -88,6 +98,21 @@ 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

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

Grid/qcd/hmc/checkpointers/ScidacCheckpointer.h

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

@@ -66,6 +66,7 @@ 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;
@@ -86,6 +87,8 @@ protected:
 
   const ActionSet<Field, RepresentationPolicy> as;
 
+  ActionSet<Field,RepresentationPolicy> LevelForces;
+  
   //Get a pointer to a shared static instance of the "do-nothing" momentum filter to serve as a default
   static MomentumFilterBase<MomentaField> const* getDefaultMomFilter(){ 
     static MomentumFilterNone<MomentaField> filter;
@@ -96,7 +99,6 @@ protected:
   {
     t_P[level] += ep;
     update_P(P, U, level, ep);
-
     std::cout << GridLogIntegrator << "[" << level << "] P " << " dt " << ep << " : t_P " << t_P[level] << std::endl;
   }
 
@@ -124,34 +126,32 @@ protected:
     // input U actually not used in the fundamental case
     // Fundamental updates, include smearing
 
+    assert(as.size()==LevelForces.size());
+    
+    Field level_force(U.Grid()); level_force =Zero();
     for (int a = 0; a < as[level].actions.size(); ++a) {
 
       double start_full = usecond();
       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(Smearer, 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();
       
-      //      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);
+
+      // track the total
+      level_force = level_force+force;
 
       Real force_abs   = std::sqrt(norm2(force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
       Real impulse_abs = force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
@@ -175,6 +175,16 @@ protected:
 
     }
 
+    {
+      // total force
+      Real force_abs   = std::sqrt(norm2(level_force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
+      Real impulse_abs = force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
+
+      Real force_max   = std::sqrt(maxLocalNorm2(level_force));
+      Real impulse_max = force_max * ep * HMC_MOMENTUM_DENOMINATOR;    
+      LevelForces[level].actions.at(0)->deriv_log(force_abs,force_max,impulse_abs,impulse_max);
+    }
+
     // Force from the other representations
     as[level].apply(update_P_hireps, Representations, Mom, U, ep);
 
@@ -224,6 +234,16 @@ public:
 
     //Default the momentum filter to "do-nothing"
     MomFilter = getDefaultMomFilter();
+
+    for (int level = 0; level < as.size(); ++level) {
+      int multiplier = as.at(level).multiplier;
+      ActionLevel<Field> * Level = new ActionLevel<Field>(multiplier);
+      Level->push_back(new EmptyAction<Field>); 
+      LevelForces.push_back(*Level);
+      // does it copy by value or reference??
+      // - answer it copies by value, BUT the action level contains a reference that is NOT updated.
+      // Unsafe code in Guido's area
+    }
   };
 
   virtual ~Integrator() {}
@@ -241,10 +261,14 @@ public:
 
   void reset_timer(void)
   {
+    assert(as.size()==LevelForces.size());
     for (int level = 0; level < as.size(); ++level) {
       for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
         as[level].actions.at(actionID)->reset_timer();
       }
+      int actionID=0;
+      assert(LevelForces.at(level).actions.size()==1);
+      LevelForces.at(level).actions.at(actionID)->reset_timer();
     }
   }
   void print_timer(void)
@@ -306,6 +330,16 @@ public:
 		  <<" calls "     << as[level].actions.at(actionID)->deriv_num
 		  << std::endl;
       }
+      int actionID=0;
+      std::cout << GridLogMessage 
+		  << LevelForces[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] :\n\t\t "
+		  <<" force max " << LevelForces[level].actions.at(actionID)->deriv_max_average()
+		  <<" norm "      << LevelForces[level].actions.at(actionID)->deriv_norm_average()
+		  <<" Fdt max  "  << LevelForces[level].actions.at(actionID)->Fdt_max_average()
+		  <<" Fdt norm "  << LevelForces[level].actions.at(actionID)->Fdt_norm_average()
+		  <<" calls "     << LevelForces[level].actions.at(actionID)->deriv_num
+		  << std::endl;
     }
     std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
   }
@@ -327,6 +361,13 @@ public:
 	std::cout << as[level].actions.at(actionID)->LogParameters();
       }
     }
+    std::cout << " [Integrator] Total Force loggers: "<< LevelForces.size() <<std::endl;
+    for (int level = 0; level < LevelForces.size(); ++level) {
+      std::cout << GridLogMessage << "[Integrator] ---- Level: "<< level << std::endl;
+      for (int actionID = 0; actionID < LevelForces[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage << "["<< LevelForces[level].actions.at(actionID)->action_name() << "] ID: " << actionID << std::endl;
+      }
+    }
     std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
   }
 
@@ -377,14 +418,9 @@ 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(Us, sRNG, pRNG);
+        as[level].actions.at(actionID)->refresh(Smearer, sRNG, pRNG);
 	as[level].actions.at(actionID)->refresh_timer_stop();
-	std::cout << GridLogMessage << "AuditRefresh["<<level<<"]["<<actionID<<"] after"<<std::endl;
 
       }
 
@@ -413,6 +449,7 @@ public:
   RealD S(Field& U) 
   {  // here also U not used
 
+    assert(as.size()==LevelForces.size());
     std::cout << GridLogIntegrator << "Integrator action\n";
 
     RealD H = - FieldImplementation::FieldSquareNorm(P)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
@@ -425,10 +462,9 @@ 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(Us);
+        Hterm = as[level].actions.at(actionID)->S(Smearer);
    	        as[level].actions.at(actionID)->S_timer_stop();
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
         H += Hterm;
@@ -469,12 +505,11 @@ public:
       for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
         // get gauge field from the SmearingPolicy and
         // based on the boolean is_smeared in actionID
-        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)->Sinitial(Us);
+	as[level].actions.at(actionID)->S_timer_start();
-   	        as[level].actions.at(actionID)->S_timer_stop();
+        Hterm = as[level].actions.at(actionID)->S(Smearer);
+	as[level].actions.at(actionID)->S_timer_stop();
 
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
         H += Hterm;

Grid/qcd/observables/hmc_observable.h

@@ -34,6 +34,13 @@ 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

@@ -42,6 +42,18 @@ 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>
+template <int ncolour, class group_name>
 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 SU<ncolour>::LatticeMatrix LatticeMatrix;
+  typedef typename GaugeGroup<ncolour,group_name>::LatticeMatrix LatticeMatrix;
   typedef LatticeGaugeField LatticeField;
   
   explicit FundamentalRep(GridBase* grid) {} //do nothing
@@ -45,7 +45,8 @@ public:
     
 
   
-typedef	 FundamentalRep<Nc> FundamentalRepresentation;
+typedef	 FundamentalRep<Nc,GroupName::SU> 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>
+template <int ncolour, TwoIndexSymmetry S, class group_name = GroupName::SU>
 class TwoIndexRep {
 public:
   // typdef to be used by the Representations class in HMC to get the
   // types for the higher representation fields
-  typedef typename SU_TwoIndex<ncolour, S>::LatticeTwoIndexMatrix LatticeMatrix;
+  typedef typename GaugeGroupTwoIndex<ncolour, S, group_name>::LatticeTwoIndexMatrix LatticeMatrix;
-  typedef typename SU_TwoIndex<ncolour, S>::LatticeTwoIndexField LatticeField;
+  typedef typename GaugeGroupTwoIndex<ncolour, S, group_name>::LatticeTwoIndexField LatticeField;
-  static const int Dimension = ncolour * (ncolour + S) / 2;
+  static const int Dimension = GaugeGroupTwoIndex<ncolour,S,group_name>::Dimension;
   static const bool isFundamental = false;
 
   LatticeField U;
@@ -43,10 +43,10 @@ public:
     U = Zero();
     LatticeColourMatrix tmp(Uin.Grid());
 
-    Vector<typename SU<ncolour>::Matrix> eij(Dimension);
+    Vector<typename GaugeGroup<ncolour,group_name>::Matrix> eij(Dimension);
 
     for (int a = 0; a < Dimension; a++)
-      SU_TwoIndex<ncolour, S>::base(a, eij[a]);
+      GaugeGroupTwoIndex<ncolour, S, group_name>::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 SU<ncolour>::LatticeAlgebraVector h(in.Grid());
+      typename GaugeGroup<ncolour, group_name>::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);
@@ -80,20 +80,23 @@ public:
   }
 
 private:
-  void projectOnAlgebra(typename SU<ncolour>::LatticeAlgebraVector &h_out,
+  void projectOnAlgebra(typename GaugeGroup<ncolour, group_name>::LatticeAlgebraVector &h_out,
                         const LatticeMatrix &in, Real scale = 1.0) const {
-    SU_TwoIndex<ncolour, S>::projectOnAlgebra(h_out, in, scale);
+    GaugeGroupTwoIndex<ncolour, S,group_name>::projectOnAlgebra(h_out, in, scale);
   }
 
   void FundamentalLieAlgebraMatrix(
-				   typename SU<ncolour>::LatticeAlgebraVector &h,
+				   typename GaugeGroup<ncolour, group_name>::LatticeAlgebraVector &h,
-				   typename SU<ncolour>::LatticeMatrix &out, Real scale = 1.0) const {
+				   typename GaugeGroup<ncolour, group_name>::LatticeMatrix &out, Real scale = 1.0) const {
-    SU<ncolour>::FundamentalLieAlgebraMatrix(h, out, scale);
+    GaugeGroup<ncolour,group_name>::FundamentalLieAlgebraMatrix(h, out, scale);
   }
 };
 
-typedef TwoIndexRep<Nc, Symmetric> TwoIndexSymmetricRepresentation;
+typedef TwoIndexRep<Nc, Symmetric, GroupName::SU> TwoIndexSymmetricRepresentation;
-typedef TwoIndexRep<Nc, AntiSymmetric> TwoIndexAntiSymmetricRepresentation;
+typedef TwoIndexRep<Nc, AntiSymmetric, GroupName::SU> TwoIndexAntiSymmetricRepresentation;
+
+typedef TwoIndexRep<Nc, Symmetric, GroupName::Sp> SpTwoIndexSymmetricRepresentation;
+typedef TwoIndexRep<Nc, AntiSymmetric, GroupName::Sp> SpTwoIndexAntiSymmetricRepresentation;
 
 NAMESPACE_END(Grid);
 

Grid/qcd/smearing/GaugeConfiguration.h

@@ -7,26 +7,27 @@
 
 NAMESPACE_BEGIN(Grid);
 
+
 //trivial class for no smearing
 template< class Impl >
-class NoSmearing
+class NoSmearing : public ConfigurationBase<typename Impl::Field>
 {
 public:
   INHERIT_FIELD_TYPES(Impl);
 
-  Field* ThinField;
+  Field* ThinLinks;
 
-  NoSmearing(): ThinField(NULL) {}
+  NoSmearing(): ThinLinks(NULL) {}
 
-  void set_Field(Field& U) { ThinField = &U; }
+  virtual void set_Field(Field& U) { ThinLinks = &U; }
 
-  void smeared_force(Field&) const {}
+  virtual void smeared_force(Field&) {}
 
-  Field& get_SmearedU() { return *ThinField; }
+  virtual Field& get_SmearedU() { return *ThinLinks; }
 
-  Field &get_U(bool smeared = false)
+  virtual Field &get_U(bool smeared = false)
   {
-    return *ThinField;
+    return *ThinLinks;
   }
 };
 
@@ -42,19 +43,24 @@ public:
   It stores a list of smeared configurations.
 */
 template <class Gimpl>
-class SmearedConfiguration
+class SmearedConfiguration : public ConfigurationBase<typename Gimpl::Field>
 {
 public:
   INHERIT_GIMPL_TYPES(Gimpl);
 
-private:
+protected:
   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
 
@@ -82,9 +88,10 @@ private:
       }
     }
   }
-  //====================================================================
+
-  GaugeField AnalyticSmearedForce(const GaugeField& SigmaKPrime,
+  //overridden in masked verson
-                                  const GaugeField& GaugeK) const 
+  virtual GaugeField AnalyticSmearedForce(const GaugeField& SigmaKPrime,
+					  const GaugeField& GaugeK) const 
   {
     GridBase* grid = GaugeK.Grid();
     GaugeField C(grid), SigmaK(grid), iLambda(grid);
@@ -213,8 +220,6 @@ private:
 
   //====================================================================
 public:
-  GaugeField*
-      ThinLinks; /* Pointer to the thin links configuration */
 
   /* Standard constructor */
   SmearedConfiguration(GridCartesian* UGrid, unsigned int Nsmear,
@@ -230,7 +235,7 @@ public:
     : smearingLevels(0), StoutSmearing(nullptr), SmearedSet(), ThinLinks(NULL) {}
 
   // attach the smeared routines to the thin links U and fill the smeared set
-  void set_Field(GaugeField &U)
+  virtual void set_Field(GaugeField &U)
   {
     double start = usecond();
     fill_smearedSet(U);
@@ -240,7 +245,7 @@ public:
   }
 
   //====================================================================
-  void smeared_force(GaugeField &SigmaTilde) const
+  virtual void smeared_force(GaugeField &SigmaTilde) 
   {
     if (smearingLevels > 0)
     {
@@ -267,14 +272,16 @@ public:
       }
       double end = usecond();
       double time = (end - start)/ 1e3;
-      std::cout << GridLogMessage << "Smearing force in " << time << " ms" << std::endl;  
+      std::cout << GridLogMessage << " GaugeConfiguration: Smeared Force chain rule took " << time << " ms" << std::endl;
     }  // if smearingLevels = 0 do nothing
+    SigmaTilde=Gimpl::projectForce(SigmaTilde); // Ta
+      
   }
   //====================================================================
 
-  GaugeField& get_SmearedU() { return SmearedSet[smearingLevels - 1]; }
+  virtual GaugeField& get_SmearedU() { return SmearedSet[smearingLevels - 1]; }
 
-  GaugeField &get_U(bool smeared = false)
+  virtual GaugeField &get_U(bool smeared = false)
   {
     // get the config, thin links by default
     if (smeared)

Grid/qcd/smearing/JacobianAction.h

@@ -0,0 +1,87 @@
+/*************************************************************************************
+
+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

@@ -40,7 +40,9 @@ 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
@@ -67,7 +69,7 @@ public:
   /*! Construct stout smearing object from explicitly specified rho matrix */
   Smear_Stout(const std::vector<double>& rho_)
     : OwnedBase{new Smear_APE<Gimpl>(rho_)}, SmearBase{OwnedBase.get()} {
-    std::cout << GridLogDebug << "Stout smearing constructor : Smear_Stout(const std::vector<double>& " << rho_ << " )" << std::endl
+    std::cout << GridLogDebug << "Stout smearing constructor : Smear_Stout(const std::vector<double>& " << rho_ << " )" << std::endl;
     assert(Nc == 3 && "Stout smearing currently implemented only for Nc==3");
     }
 

Grid/qcd/utils/CovariantCshift.h

@@ -37,13 +37,14 @@ 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)
@@ -52,19 +53,19 @@ 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/GaugeGroup.h

@@ -0,0 +1,528 @@
+/*************************************************************************************
+
+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> > >;
+  template <typename vtype>
+  using iSUnAlgebraMatrix =
+    iScalar<iScalar<iMatrix<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 iSUnAlgebraMatrix<vComplex>  vAlgebraMatrix;
+  typedef iSUnAlgebraMatrix<vComplexF> vAlgebraMatrixF;
+  typedef iSUnAlgebraMatrix<vComplexD> vAlgebraMatrixD;
+
+  typedef Lattice<vAlgebraMatrix>  LatticeAlgebraMatrix;
+  typedef Lattice<vAlgebraMatrixF> LatticeAlgebraMatrixF;
+  typedef Lattice<vAlgebraMatrixD> LatticeAlgebraMatrixD;
+  
+
+  typedef iSU2Matrix<Complex> SU2Matrix;
+  typedef iSU2Matrix<ComplexF> SU2MatrixF;
+  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 accelerator_inline 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!....
+    }
+  }
+
+// Ta are hermitian (?)
+// Anti herm is i Ta basis
+static void LieAlgebraProject(LatticeAlgebraMatrix &out,const LatticeMatrix &in, int b)
+{
+  conformable(in, out);
+  GridBase *grid = out.Grid();
+  LatticeComplex tmp(grid);
+  Matrix ta;
+  // Using Luchang's projection convention
+  //  2 Tr{Ta Tb} A_b= 2/2 delta ab A_b = A_a
+  autoView(out_v,out,AcceleratorWrite);
+  autoView(in_v,in,AcceleratorRead);
+  int N = ncolour;
+  int NNm1 = N * (N - 1);
+  int hNNm1= NNm1/2;
+  RealD sqrt_2 = sqrt(2.0);
+  Complex ci(0.0,1.0);
+  for(int su2Index=0;su2Index<hNNm1;su2Index++){
+    int i1, i2;
+    su2SubGroupIndex(i1, i2, su2Index);
+    int ax = su2Index*2;
+    int ay = su2Index*2+1;
+    accelerator_for(ss,grid->oSites(),1,{
+	// in is traceless ANTI-hermitian whereas Grid generators are Hermitian.
+	// trace( Ta x Ci in)
+	// Bet I need to move to real part with mult by -i
+	out_v[ss]()()(ax,b) = 0.5*(real(in_v[ss]()()(i2,i1)) - real(in_v[ss]()()(i1,i2)));
+	out_v[ss]()()(ay,b) = 0.5*(imag(in_v[ss]()()(i1,i2)) + imag(in_v[ss]()()(i2,i1)));
+      });
+  }
+  for(int diagIndex=0;diagIndex<N-1;diagIndex++){
+    int k = diagIndex + 1; // diagIndex starts from 0
+    int a = NNm1+diagIndex;
+    RealD scale = 1.0/sqrt(2.0*k*(k+1));
+    accelerator_for(ss,grid->oSites(),vComplex::Nsimd(),{
+	auto tmp = in_v[ss]()()(0,0);
+	for(int i=1;i<k;i++){
+	  tmp=tmp+in_v[ss]()()(i,i);
+	}
+	tmp = tmp - in_v[ss]()()(k,k)*k;
+	out_v[ss]()()(a,b) =imag(tmp) * scale;
+      });
+    }
+}
+
+  
+};
+    
+template <int ncolour>
+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

@@ -0,0 +1,371 @@
+////////////////////////////////////////////////////////////////////////
+//
+// * 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/SUn.h

@@ -1,892 +0,0 @@
-/*************************************************************************************
-
-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

@@ -0,0 +1,580 @@
+// 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

@@ -52,13 +52,18 @@ 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<typename SU<ncolour>::template iSUnMatrix<cplx> > ta(ncolour * ncolour - 1);
+    Vector<iSUnMatrix<cplx> > ta(ncolour * ncolour - 1);
-    typename SU<ncolour>::template iSUnMatrix<cplx> tmp;
+    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]);
@@ -66,8 +71,7 @@ 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++) {
-        typename SU<ncolour>::template iSUnMatrix<cplx> tmp1 =
+        iSUnMatrix<cplx> tmp1 = 2.0 * tmp * ta[b];  // 2.0 from the normalization
-	  2.0 * tmp * ta[b];  // 2.0 from the normalization
         Complex iTr = TensorRemove(timesI(trace(tmp1)));
         //iAdjTa()()(b, a) = iTr;
         iAdjTa()()(a, b) = iTr;
@@ -133,8 +137,7 @@ public:
 
     for (int a = 0; a < Dimension; a++) {
       generator(a, iTa);
-      LatticeComplex tmp = real(trace(iTa * in)) * coefficient;
+      pokeColour(h_out, real(trace(iTa * in)) * coefficient, a);
-      pokeColour(h_out, tmp, a);
     }
   }
 

Grid/qcd/utils/SUnTwoIndex.h

@@ -1,273 +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_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

@@ -0,0 +1,317 @@
+// 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/SUn.h>
+#include <Grid/qcd/utils/GaugeGroup.h>
 #include <Grid/qcd/utils/SUnAdjoint.h>
-#include <Grid/qcd/utils/SUnTwoIndex.h>
+#include <Grid/qcd/utils/GaugeGroupTwoIndex.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 staples on each site
+  // the sum over all nu-oriented staples for nu != mu on each site
   //////////////////////////////////////////////////
   static void Staple(GaugeMat &staple, const GaugeLorentz &Umu, int mu) {
 
@@ -300,6 +300,10 @@ 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++) {
@@ -335,6 +339,203 @@ 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
   //////////////////////////////////////////////////
@@ -707,18 +908,14 @@ public:
   // the sum over all staples on each site
   //////////////////////////////////////////////////
   static void RectStapleDouble(GaugeMat &U2, const GaugeMat &U, int mu) {
-    U2 = U * Cshift(U, mu, 1);
+    U2 = U * Gimpl::CshiftLink(U, mu, 1);
   }
 
   ////////////////////////////////////////////////////////////////////////////
-  // Hop by two optimisation strategy does not work nicely with Gparity. (could
+  // Hop by two optimisation strategy. Use RectStapleDouble to obtain 'U2'
-  // 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, std::vector<GaugeMat> &U2,
+  static void RectStapleOptimised(GaugeMat &Stap, const std::vector<GaugeMat> &U2,
-                                  std::vector<GaugeMat> &U, int mu) {
+                                  const std::vector<GaugeMat> &U, int mu) {
 
     Stap = Zero();
 
@@ -732,9 +929,9 @@ public:
 
         // Up staple    ___ ___
         //             |       |
-        tmp = Cshift(adj(U[nu]), nu, -1);
+        tmp = Gimpl::CshiftLink(adj(U[nu]), nu, -1);
         tmp = adj(U2[mu]) * tmp;
-        tmp = Cshift(tmp, mu, -2);
+        tmp = Gimpl::CshiftLink(tmp, mu, -2);
 
         Staple2x1 = Gimpl::CovShiftForward(U[nu], nu, tmp);
 
@@ -742,14 +939,14 @@ public:
         //             |___ ___|
         //
         tmp = adj(U2[mu]) * U[nu];
-        Staple2x1 += Gimpl::CovShiftBackward(U[nu], nu, Cshift(tmp, mu, -2));
+        Staple2x1 += Gimpl::CovShiftBackward(U[nu], nu, Gimpl::CshiftLink(tmp, mu, -2));
 
         //              ___ ___
         //             |    ___|
         //             |___ ___|
         //
 
-        Stap += Cshift(Gimpl::CovShiftForward(U[mu], mu, Staple2x1), mu, 1);
+        Stap += Gimpl::CshiftLink(Gimpl::CovShiftForward(U[mu], mu, Staple2x1), mu, 1);
 
         //              ___ ___
         //             |___    |
@@ -758,7 +955,7 @@ public:
 
         //  tmp= Staple2x1* Cshift(U[mu],mu,-2);
         //  Stap+= Cshift(tmp,mu,1) ;
-        Stap += Cshift(Staple2x1, mu, 1) * Cshift(U[mu], mu, -1);
+        Stap += Gimpl::CshiftLink(Staple2x1, mu, 1) * Gimpl::CshiftLink(U[mu], mu, -1);
         ;
 
         //       --
@@ -766,10 +963,10 @@ public:
         //
         //      |  |
 
-        tmp = Cshift(adj(U2[nu]), nu, -2);
+        tmp = Gimpl::CshiftLink(adj(U2[nu]), nu, -2);
         tmp = Gimpl::CovShiftBackward(U[mu], mu, tmp);
-        tmp = U2[nu] * Cshift(tmp, nu, 2);
+        tmp = U2[nu] * Gimpl::CshiftLink(tmp, nu, 2);
-        Stap += Cshift(tmp, mu, 1);
+        Stap += Gimpl::CshiftLink(tmp, mu, 1);
 
         //      |  |
         //
@@ -778,25 +975,12 @@ public:
 
         tmp = Gimpl::CovShiftBackward(U[mu], mu, U2[nu]);
         tmp = adj(U2[nu]) * tmp;
-        tmp = Cshift(tmp, nu, -2);
+        tmp = Gimpl::CshiftLink(tmp, nu, -2);
-        Stap += Cshift(tmp, mu, 1);
+        Stap += Gimpl::CshiftLink(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();
@@ -895,6 +1079,288 @@ 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/simd/Grid_neon.h

@@ -320,7 +320,7 @@ struct Conj{
 
 struct TimesMinusI{
   //Complex single
-  inline float32x4_t operator()(float32x4_t in, float32x4_t ret){
+  inline float32x4_t operator()(float32x4_t in){
     // ar ai br bi -> ai -ar ai -br
     float32x4_t r0, r1;
     r0 = vnegq_f32(in);        // -ar -ai -br -bi
@@ -328,7 +328,7 @@ struct TimesMinusI{
     return vtrn1q_f32(r1, r0); //  ar -ai  br -bi
   }
   //Complex double
-  inline float64x2_t operator()(float64x2_t in, float64x2_t ret){
+  inline float64x2_t operator()(float64x2_t in){
     // a ib -> b -ia
     float64x2_t tmp;
     tmp = vnegq_f64(in);
@@ -338,7 +338,7 @@ struct TimesMinusI{
 
 struct TimesI{
   //Complex single
-  inline float32x4_t operator()(float32x4_t in, float32x4_t ret){
+  inline float32x4_t operator()(float32x4_t in){
     // ar ai br bi -> -ai ar -bi br
     float32x4_t r0, r1;
     r0 = vnegq_f32(in);        // -ar -ai -br -bi
@@ -346,7 +346,7 @@ struct TimesI{
     return vtrn1q_f32(r1, in); // -ai  ar -bi  br
   }
   //Complex double
-  inline float64x2_t operator()(float64x2_t in, float64x2_t ret){
+  inline float64x2_t operator()(float64x2_t in){
     // a ib -> -b ia
     float64x2_t tmp;
     tmp = vnegq_f64(in);