Adding Kokkos output and error checks (daaadcdd) · Commits · 郑智淋 / lammps

src/KOKKOS/kokkos.cpp

+17 −1

Original line number	Diff line number	Diff line
		@@ -31,8 +31,13 @@ KokkosLMP::KokkosLMP(LAMMPS lmp, int narg, char *arg) : Pointers(lmp)
		kokkos_exists = 1;
		lmp->kokkos = this;

		int me = 0;
		MPI_Comm_rank(world,&me);
		if (me == 0) error->message(FLERR,"KOKKOS mode is enabled");

		// process any command-line args that invoke Kokkos settings

		int ngpu = 0;
		int device = 0;
		num_threads = 1;
		numa = 1;
		@@ -46,8 +51,11 @@ KokkosLMP::KokkosLMP(LAMMPS lmp, int narg, char *arg) : Pointers(lmp)

		} else if (strcmp(arg[iarg],"g") == 0 \|\|
		strcmp(arg[iarg],"gpus") == 0) {
		#ifndef KOKKOS_HAVE_CUDA
		error->all(FLERR,"GPUs are requested but Kokkos has not been compiled for CUDA");
		#endif
		if (iarg+2 > narg) error->all(FLERR,"Invalid Kokkos command-line args");
		int ngpu = atoi(arg[iarg+1]);
		ngpu = atoi(arg[iarg+1]);

		int skip_gpu = 9999;
		if (iarg+2 < narg && isdigit(arg[iarg+2][0])) {
		@@ -88,7 +96,15 @@ KokkosLMP::KokkosLMP(LAMMPS lmp, int narg, char *arg) : Pointers(lmp)

		// initialize Kokkos

		if (me == 0) {
		if (screen) fprintf(screen," using %d GPU(s)\n",ngpu);
		if (logfile) fprintf(logfile," using %d GPU(s)\n",ngpu);
		}

		#ifdef KOKKOS_HAVE_CUDA
		if (ngpu <= 0)
		error->all(FLERR,"Kokkos has been compiled for CUDA but no GPUs are requested");

		Kokkos::HostSpace::execution_space::initialize(num_threads,numa);
		Kokkos::Cuda::SelectDevice select_device(device);
		Kokkos::Cuda::initialize(select_device);

+0 −3

Original line number	Diff line number	Diff line
		@@ -500,9 +500,6 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
		error->all(FLERR,"Cannot use -kokkos on without KOKKOS installed");
		}

		MPI_Comm_rank(world,&me);
		if (kokkos && me == 0) error->message(FLERR,"KOKKOS mode is enabled");

		// allocate CiteMe class if enabled

		if (citeflag) citeme = new CiteMe(this);