Merge bd56c95a6f into 994512048e

Bugfix/irl convergence

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

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

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

Grid/qcd/utils/SUn.h

@@ -40,18 +40,20 @@ Lattice<iScalar<iScalar<iScalar<Vec> > > > Determinant(const Lattice<iScalar<iSc
   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<ComplexD, N> > > Us;
+    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++){
-	EigenU(i,j) = Us()()(i,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());

Grid/stencil/Stencil.h

@@ -705,7 +705,7 @@ public:
 	}
       }
     }
-    std::cout << "BuildSurfaceList size is "<<surface_list.size()<<std::endl;
+    std::cout << GridLogDebug << "BuildSurfaceList size is "<<surface_list.size()<<std::endl;
   }
   /// Introduce a block structure and switch off comms on boundaries
   void DirichletBlock(const Coordinate &dirichlet_block)

Grid/tensors/Tensor_exp.h

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

HMC/FTHMC2p1f.cc

@@ -0,0 +1,224 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Copyright (C) 2023
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+#include <Grid/qcd/smearing/GaugeConfigurationMasked.h>
+#include <Grid/qcd/smearing/JacobianAction.h>
+
+using namespace Grid;
+
+int main(int argc, char **argv)
+{
+  std::cout << std::setprecision(12);
+  
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FermionImplPolicy;
+  typedef MobiusFermionD FermionAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+  typedef Grid::XmlReader       Serialiser;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
+  //  MD.name    = std::string("Leap Frog");
+  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
+  //  MD.name    = std::string("Force Gradient");
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = 12;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = 0;
+  HMCparams.Trajectories     = 200;
+  HMCparams.NoMetropolisUntil=  20;
+  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  HMCparams.StartingType     =std::string("HotStart");
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_EODWF_lat";
+  CPparams.smeared_prefix = "ckpoint_EODWF_lat_smr";
+  CPparams.rng_prefix    = "ckpoint_EODWF_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.saveSmeared   = true;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.04;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD b   = 1.0; // Scale factor two
+  RealD c   = 0.0;
+
+  OneFlavourRationalParams OFRp;
+  OFRp.lo       = 1.0e-2;
+  OFRp.hi       = 64;
+  OFRp.MaxIter  = 10000;
+  OFRp.tolerance= 1.0e-10;
+  OFRp.degree   = 14;
+  OFRp.precision= 40;
+
+  std::vector<Real> hasenbusch({ 0.1 });
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+  LatticeGaugeField Uhot(GridPtr);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+
+  double StoppingCondition = 1e-10;
+  double MaxCGIterations = 30000;
+  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
+
+  bool ApplySmearing = true;
+  
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(2);
+  ActionLevel<HMCWrapper::Field> Level3(4);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+
+  MobiusEOFAFermionD Strange_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionD Strange_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
+    EOFA(Strange_Op_L, Strange_Op_R, 
+	 CG,
+	 CG, CG,
+	 CG, CG, 
+	 OFRp, false);
+
+  EOFA.is_smeared = ApplySmearing;
+  Level1.push_back(&EOFA);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]);
+    light_num.push_back(hasenbusch[h]);
+  }
+  light_num.push_back(pv_mass);
+
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+    Quotients.push_back   (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
+  }
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    Quotients[h]->is_smeared = ApplySmearing;
+    Level1.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // lnDetJacobianAction
+  /////////////////////////////////////////////////////////////
+  double rho = 0.1;  // smearing parameter
+  int Nsmear = 1;    // number of smearing levels - must be multiple of 2Nd
+  int Nstep  = 8*Nsmear;    // number of smearing levels - must be multiple of 2Nd
+  Smear_Stout<HMCWrapper::ImplPolicy> Stout(rho);
+  SmearedConfigurationMasked<HMCWrapper::ImplPolicy> SmearingPolicy(GridPtr, Nstep, Stout);
+  JacobianAction<HMCWrapper::ImplPolicy> Jacobian(&SmearingPolicy);
+  if( ApplySmearing ) Level2.push_back(&Jacobian);
+  std::cout << GridLogMessage << " Built the Jacobian "<< std::endl;
+
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  //  GaugeAction.is_smeared = ApplySmearing;
+  GaugeAction.is_smeared = true;
+  Level3.push_back(&GaugeAction);
+
+  std::cout << GridLogMessage << " ************************************************"<< std::endl;
+  std::cout << GridLogMessage << " Action complete -- NO FERMIONS FOR NOW -- FIXME"<< std::endl;
+  std::cout << GridLogMessage << " ************************************************"<< std::endl;
+  std::cout << GridLogMessage <<  std::endl;
+  std::cout << GridLogMessage <<  std::endl;
+
+
+  std::cout << GridLogMessage << " Running the FT HMC "<< std::endl;
+
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  TheHMC.TheAction.push_back(Level3);
+
+  TheHMC.Run(SmearingPolicy); // for smearing
+
+  Grid_finalize();
+} // main
+
+
+

HMC/Mobius2p1f_EOFA_96I_hmc.cc

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

documentation/GridXcode/readme.md

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

systems/Lumi/benchmarks/bench2.slurm

@@ -0,0 +1,44 @@
+#!/bin/bash -l
+#SBATCH --job-name=bench_lehner
+#SBATCH --partition=small-g
+#SBATCH --nodes=2
+#SBATCH --ntasks-per-node=8
+#SBATCH --cpus-per-task=7
+#SBATCH --gpus-per-node=8
+#SBATCH --time=00:10:00
+#SBATCH --account=project_465000546
+#SBATCH --gpu-bind=none
+#SBATCH --exclusive
+#SBATCH --mem=0
+
+CPU_BIND="map_cpu:48,56,32,40,16,24,1,8"
+echo $CPU_BIND
+
+cat << EOF > select_gpu
+#!/bin/bash
+export GPU_MAP=(0 1 2 3 4 5 6 7)
+export GPU=\${GPU_MAP[\$SLURM_LOCALID]}
+export HIP_VISIBLE_DEVICES=\$GPU
+unset ROCR_VISIBLE_DEVICES
+echo RANK \$SLURM_LOCALID using GPU \$GPU    
+exec \$*
+EOF
+
+chmod +x ./select_gpu
+
+root=/scratch/project_465000546/boylepet/Grid/systems/Lumi
+source ${root}/sourceme.sh
+
+export OMP_NUM_THREADS=7
+export MPICH_GPU_SUPPORT_ENABLED=1
+export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
+
+for vol in 16.16.16.64 32.32.32.64  32.32.32.128
+do
+srun --cpu-bind=${CPU_BIND} ./select_gpu ./Benchmark_dwf_fp32 --mpi 2.2.2.2 --accelerator-threads 8 --comms-overlap --shm 2048 --shm-mpi 0 --grid $vol  > log.shm0.ov.$vol
+#srun --cpu-bind=${CPU_BIND} ./select_gpu ./Benchmark_dwf_fp32 --mpi 2.2.2.2 --accelerator-threads 8 --comms-overlap --shm 2048 --shm-mpi 1 --grid $vol  > log.shm1.ov.$vol
+
+srun --cpu-bind=${CPU_BIND} ./select_gpu ./Benchmark_dwf_fp32 --mpi 2.2.2.2 --accelerator-threads 8 --comms-sequential --shm 2048 --shm-mpi 0 --grid $vol  > log.shm0.seq.$vol
+#srun --cpu-bind=${CPU_BIND} ./select_gpu ./Benchmark_dwf_fp32 --mpi 2.2.2.2 --accelerator-threads 8 --comms-sequential --shm 2048 --shm-mpi 1 --grid $vol > log.shm1.seq.$vol
+done
+

systems/Lumi/config-command

@@ -3,30 +3,28 @@ spack load gmp
 spack load mpfr
 CLIME=`spack find --paths c-lime | grep c-lime| cut -c 15-`
 GMP=`spack find --paths gmp | grep gmp | cut -c 12-`
-MPFR=`spack find --paths mpfr | grep mpfr | cut -c 12-`
-echo clime $CLIME
-echo gmp $GMP
-echo mpfr $MPFR
+MPFR=`spack find --paths mpfr | grep mpfr | cut -c 13-`
+echo clime X$CLIME
+echo gmp X$GMP
+echo mpfr X$MPFR
 
-../../configure --enable-comms=mpi-auto \
+../../configure \
+--enable-comms=mpi-auto \
 --with-lime=$CLIME \
 --enable-unified=no \
 --enable-shm=nvlink \
---enable-tracing=timer \
 --enable-accelerator=hip \
 --enable-gen-simd-width=64 \
 --enable-simd=GPU \
---disable-accelerator-cshift \
---with-gmp=$OLCF_GMP_ROOT \
+--enable-accelerator-cshift \
+--with-gmp=$GMP \
+--with-mpfr=$MPFR \
 --with-fftw=$FFTW_DIR/.. \
---with-mpfr=/opt/cray/pe/gcc/mpfr/3.1.4/ \
 --disable-fermion-reps \
 --disable-gparity \
 CXX=hipcc MPICXX=mpicxx \
-CXXFLAGS="-fPIC -I{$ROCM_PATH}/include/ -std=c++14 -I${MPICH_DIR}/include -L/lib64 --amdgpu-target=gfx90a" \
- LDFLAGS="-L/lib64 -L/opt/rocm-5.2.0/lib/ -L${MPICH_DIR}/lib -lmpi -L${CRAY_MPICH_ROOTDIR}/gtl/lib -lmpi_gtl_hsa -lamdhip64 --amdgpu-target=gfx90a "
+  CXXFLAGS="-fPIC --offload-arch=gfx90a -I/opt/rocm/include/ -std=c++14 -I/opt/cray/pe/mpich/8.1.23/ofi/gnu/9.1/include" \
+  LDFLAGS="-L/opt/cray/pe/mpich/8.1.23/ofi/gnu/9.1/lib -lmpi -L/opt/cray/pe/mpich/8.1.23/gtl/lib -lmpi_gtl_hsa -lamdhip64 -fopenmp" 
 
 
-#--enable-simd=GPU-RRII \
-
 

systems/Lumi/sourceme.sh

@@ -1 +1,5 @@
-module load CrayEnv LUMI/22.12 partition/G  cray-fftw/3.3.10.1
+source ~/spack/share/spack/setup-env.sh
+module load CrayEnv LUMI/22.12 partition/G  cray-fftw/3.3.10.1 rocm
+spack load c-lime
+spack load gmp
+spack load mpfr

systems/Sunspot/benchmarks/bench.pbs

@@ -0,0 +1,46 @@
+#!/bin/bash
+
+#PBS -l select=1:system=sunspot,place=scatter
+#PBS -A LatticeQCD_aesp_CNDA
+#PBS -l walltime=01:00:00
+#PBS -N dwf
+#PBS -k doe
+
+HDIR=/home/paboyle/
+module use /soft/testing/modulefiles/
+module load intel-UMD23.05.25593.11/23.05.25593.11
+module load tools/pti-gpu  
+export LD_LIBRARY_PATH=$HDIR/tools/lib64:$LD_LIBRARY_PATH
+export PATH=$HDIR/tools/bin:$PATH
+
+export TZ='/usr/share/zoneinfo/US/Central'
+export OMP_PROC_BIND=spread
+export OMP_NUM_THREADS=3
+unset OMP_PLACES
+
+cd $PBS_O_WORKDIR
+
+qsub jobscript.pbs
+
+echo Jobid: $PBS_JOBID
+echo Running on host `hostname`
+echo Running on nodes `cat $PBS_NODEFILE`
+
+echo NODES
+cat $PBS_NODEFILE
+NNODES=`wc -l < $PBS_NODEFILE`
+NRANKS=12         # Number of MPI ranks per node
+NDEPTH=4          # Number of hardware threads per rank, spacing between MPI ranks on a node
+NTHREADS=$OMP_NUM_THREADS # Number of OMP threads per rank, given to OMP_NUM_THREADS
+
+NTOTRANKS=$(( NNODES * NRANKS ))
+
+echo "NUM_NODES=${NNODES}  TOTAL_RANKS=${NTOTRANKS}  RANKS_PER_NODE=${NRANKS}  THREADS_PER_RANK=${OMP_NUM_THREADS}"
+echo "OMP_PROC_BIND=$OMP_PROC_BIND OMP_PLACES=$OMP_PLACES"
+
+    
+CMD="mpiexec -np ${NTOTRANKS} -ppn ${NRANKS} -d ${NDEPTH} --cpu-bind=depth -envall \
+	     ./gpu_tile_compact.sh \
+	./Benchmark_dwf_fp32 --mpi 1.1.2.6 --grid 16.32.64.192 --comms-overlap \
+	--shm-mpi 0 --shm 2048 --device-mem 32000 --accelerator-threads 32"
+

systems/Sunspot/benchmarks/gpu_tile_compact.sh

@@ -0,0 +1,52 @@
+#!/bin/bash
+
+display_help() {
+  echo " Will map gpu tile to rank in compact and then round-robin fashion"
+  echo " Usage (only work for one node of ATS/PVC):"
+  echo "   mpiexec --np N gpu_tile_compact.sh ./a.out"
+  echo
+  echo " Example 3 GPU of 2 Tiles with 7 Ranks:"
+  echo "   0 Rank 0.0"
+  echo "   1 Rank 0.1"
+  echo "   2 Rank 1.0"
+  echo "   3 Rank 1.1"
+  echo "   4 Rank 2.0"
+  echo "   5 Rank 2.1"
+  echo "   6 Rank 0.0"
+  echo
+  echo " Hacked together by apl@anl.gov, please contact if bug found"
+  exit 1
+}
+
+#This give the exact GPU count i915 knows about and I use udev to only enumerate the devices with physical presence.
+#works? num_gpu=$(/usr/bin/udevadm info /sys/module/i915/drivers/pci\:i915/* |& grep -v Unknown | grep -c "P: /devices")
+num_gpu=6
+num_tile=2
+
+if [ "$#" -eq 0 ] || [ "$1" == "--help" ] || [ "$1" == "-h" ] || [ "$num_gpu" = 0 ]; then
+  display_help
+fi
+
+gpu_id=$(( (PALS_LOCAL_RANKID / num_tile ) % num_gpu ))
+tile_id=$((PALS_LOCAL_RANKID % num_tile))
+
+unset EnableWalkerPartition
+export EnableImplicitScaling=0
+export ZE_ENABLE_PCI_ID_DEVICE_ORDER=1
+export ZE_AFFINITY_MASK=$gpu_id.$tile_id
+export ONEAPI_DEVICE_FILTER=gpu,level_zero
+export SYCL_PI_LEVEL_ZERO_DEVICE_SCOPE_EVENTS=0
+export SYCL_PI_LEVEL_ZERO_USE_IMMEDIATE_COMMANDLISTS=1
+export SYCL_PI_LEVEL_ZERO_USE_COPY_ENGINE=0:2
+export SYCL_PI_LEVEL_ZERO_USE_COPY_ENGINE_FOR_D2D_COPY=1
+#export SYCL_PI_LEVEL_ZERO_USM_RESIDENT=1
+
+echo "rank $PALS_RANKID ; local rank $PALS_LOCAL_RANKID ; ZE_AFFINITY_MASK=$ZE_AFFINITY_MASK"
+
+if [ $PALS_LOCAL_RANKID = 0 ]
+then
+    onetrace --chrome-device-timeline "$@"
+#    "$@"
+else
+"$@"
+fi

systems/Sunspot/config-command

@@ -0,0 +1,16 @@
+TOOLS=$HOME/tools
+../../configure \
+	--enable-simd=GPU \
+	--enable-gen-simd-width=64 \
+	--enable-comms=mpi-auto \
+	--enable-accelerator-cshift \
+	--disable-gparity \
+	--disable-fermion-reps \
+	--enable-shm=nvlink \
+	--enable-accelerator=sycl \
+	--enable-unified=no \
+	MPICXX=mpicxx \
+	CXX=icpx \
+	LDFLAGS="-fiopenmp -fsycl -fsycl-device-code-split=per_kernel -fsycl-device-lib=all -lze_loader -lapmidg -L$TOOLS/lib64/" \
+	CXXFLAGS="-fiopenmp -fsycl-unnamed-lambda -fsycl -I$INSTALL/include -Wno-tautological-compare -I$HOME/ -I$TOOLS/include"
+