Adding Kokkos error check (7a5587d6) · Commits · 郑智淋 / lammps

src/KOKKOS/kokkos.cpp

+3 −1

Original line number	Diff line number	Diff line
		@@ -37,7 +37,7 @@ KokkosLMP::KokkosLMP(LAMMPS lmp, int narg, char *arg) : Pointers(lmp)

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

		int ngpu = 0;
		ngpu = 0;
		int device = 0;
		num_threads = 1;
		numa = 1;
		@@ -159,6 +159,8 @@ void KokkosLMP::accelerator(int narg, char **arg)
		else if (strcmp(arg[iarg+1],"n2") == 0) neighflag = N2;
		else if (strcmp(arg[iarg+1],"full/cluster") == 0) neighflag = FULLCLUSTER;
		else error->all(FLERR,"Illegal package kokkos command");
		if (neighflag = HALF && num_threads == 0 \|\| ngpu == 0)
		error->all(FLERR,"Must use Kokkos half/thread or full neighbor list with threads or GPU");
		iarg += 2;
		} else if (strcmp(arg[iarg],"binsize") == 0) {
		if (iarg+2 > narg) error->all(FLERR,"Illegal package kokkos command");

+7 −3

Original line number	Diff line number	Diff line
		@@ -27,7 +27,7 @@ class KokkosLMP : protected Pointers {
		int forward_comm_classic;
		int exchange_comm_on_host;
		int forward_comm_on_host;
		int num_threads;
		int num_threads,ngpu;
		int numa;

		KokkosLMP(class LAMMPS , int, char *);
		@@ -49,11 +49,15 @@ Self-explanatory. See Section 2.7 of the manual for details.

		E: GPUs are requested but Kokkos has not been compiled for CUDA

		UNDOCUMENTED
		Recompile Kokkos with CUDA support to use GPUs.

		E: Kokkos has been compiled for CUDA but no GPUs are requested

		UNDOCUMENTED
		One or more GPUs must be used when Kokkos is compiled for CUDA.

		E: Must use Kokkos half/thread or full neighbor list with threads or GPU

		Using Kokkos half neighbor list with threading is not allowed.

		E: Illegal ... command