Fix issues with CUDA-aware MPI (1b9214c3) · Commits · 郑智淋 / lammps

src/KOKKOS/kokkos.cpp

+5 −1

Original line number	Diff line number	Diff line
		@@ -220,7 +220,7 @@ KokkosLMP::KokkosLMP(LAMMPS lmp, int narg, char *arg) : Pointers(lmp)

		int nmpi = 0;
		MPI_Comm_size(world,&nmpi);
		if (nmpi > 0) {
		if (nmpi > 1) {

		#if defined(MPI_VERSION) && (MPI_VERSION > 2)
		// Check for IBM Spectrum MPI
		@@ -397,6 +397,8 @@ void KokkosLMP::accelerator(int narg, char **arg)
		} else error->all(FLERR,"Illegal package kokkos command");
		}

		#ifdef KOKKOS_ENABLE_CUDA

		// if "cuda/aware off" and "comm device", change to "comm host"

		if (!cuda_aware_flag) {
		@@ -431,6 +433,8 @@ void KokkosLMP::accelerator(int narg, char **arg)
		}
		}

		#endif

		// set newton flags
		// set neighbor binsize, same as neigh_modify command