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sjplimp
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/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef LMP_ACCELERATOR_CUDA_H
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#define LMP_ACCELERATOR_CUDA_H
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// true interface to USER-CUDA
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// used when USER-CUDA is installed
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#ifdef LMP_USER_CUDA
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#include "user_cuda.h"
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#include "comm_cuda.h"
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#include "domain_cuda.h"
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#include "neighbor_cuda.h"
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#include "modify_cuda.h"
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#include "verlet_cuda.h"
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#else
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// dummy interface to USER-CUDA
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// needed for compiling when USER-CUDA is not installed
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#include "comm_brick.h"
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#include "domain.h"
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#include "neighbor.h"
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#include "modify.h"
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#include "verlet.h"
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namespace LAMMPS_NS {
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class Cuda {
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public:
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int cuda_exists;
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int oncpu;
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Cuda(class LAMMPS *) {cuda_exists = 0;}
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~Cuda() {}
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void accelerator(int, char **) {}
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void evsetup_eatom_vatom(int, int) {}
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void downloadAll() {}
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void uploadAll() {}
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};
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class CommCuda : public CommBrick {
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public:
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CommCuda(class LAMMPS *lmp) : CommBrick(lmp) {}
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~CommCuda() {}
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};
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class DomainCuda : public Domain {
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public:
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DomainCuda(class LAMMPS *lmp) : Domain(lmp) {}
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~DomainCuda() {}
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};
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class NeighborCuda : public Neighbor {
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public:
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NeighborCuda(class LAMMPS *lmp) : Neighbor(lmp) {}
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~NeighborCuda() {}
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};
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class ModifyCuda : public Modify {
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public:
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ModifyCuda(class LAMMPS *lmp) : Modify(lmp) {}
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~ModifyCuda() {}
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};
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class VerletCuda : public Verlet {
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public:
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VerletCuda(class LAMMPS *lmp, int narg, char **arg) : Verlet(lmp,narg,arg) {}
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~VerletCuda() {}
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};
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}
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#endif
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#endif
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@ -42,7 +42,6 @@
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#include "group.h"
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#include "output.h"
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#include "citeme.h"
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#include "accelerator_cuda.h"
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#include "accelerator_kokkos.h"
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#include "accelerator_omp.h"
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#include "accelerator_intel.h"
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@ -80,7 +79,6 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
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int logflag = 0;
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int partscreenflag = 0;
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int partlogflag = 0;
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int cudaflag = 0;
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int kokkosflag = 0;
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int restartflag = 0;
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int restartremapflag = 0;
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@ -153,14 +151,6 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
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error->universe_all(FLERR,"Invalid command-line argument");
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partlogflag = iarg + 1;
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iarg += 2;
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} else if (strcmp(arg[iarg],"-cuda") == 0 ||
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strcmp(arg[iarg],"-c") == 0) {
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if (iarg+2 > narg)
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error->universe_all(FLERR,"Invalid command-line argument");
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if (strcmp(arg[iarg+1],"on") == 0) cudaflag = 1;
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else if (strcmp(arg[iarg+1],"off") == 0) cudaflag = 0;
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else error->universe_all(FLERR,"Invalid command-line argument");
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iarg += 2;
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} else if (strcmp(arg[iarg],"-kokkos") == 0 ||
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strcmp(arg[iarg],"-k") == 0) {
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if (iarg+2 > narg)
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@ -470,25 +460,6 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
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error->all(FLERR,"Small to big integers are not sized correctly");
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#endif
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// error check on accelerator packages
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if (cudaflag == 1 && kokkosflag == 1)
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error->all(FLERR,"Cannot use -cuda on and -kokkos on together");
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// create Cuda class if USER-CUDA installed, unless explicitly switched off
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// instantiation creates dummy Cuda class if USER-CUDA is not installed
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cuda = NULL;
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if (cudaflag == 1) {
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cuda = new Cuda(this);
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if (!cuda->cuda_exists)
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error->all(FLERR,"Cannot use -cuda on without USER-CUDA installed");
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}
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int me;
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MPI_Comm_rank(world,&me);
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if (cuda && me == 0) error->message(FLERR,"USER-CUDA mode is enabled");
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// create Kokkos class if KOKKOS installed, unless explicitly switched off
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// instantiation creates dummy Kokkos class if KOKKOS is not installed
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// add args between kkfirst and kklast to Kokkos instantiation
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