Change defaults for KOKKOS package (77d80c84) · Commits · 郑智淋 / lammps

src/KOKKOS/kokkos.cpp

+21 −20

Original line number	Diff line number	Diff line
		@@ -182,16 +182,28 @@ KokkosLMP::KokkosLMP(LAMMPS lmp, int narg, char *arg) : Pointers(lmp)

		// default settings for package kokkos command

		binsize = 0.0;
		gpu_direct_flag = 1;
		if (ngpu > 0) {
		neighflag = FULL;
		neighflag_qeq = FULL;
		neighflag_qeq_set = 0;
		exchange_comm_classic = 0;
		forward_comm_classic = 0;
		reverse_comm_classic = 0;
		exchange_comm_on_host = 0;
		forward_comm_on_host = 0;
		reverse_comm_on_host = 0;
		gpu_direct_flag = 1;
		newtonflag = 0;
		exchange_comm_classic = forward_comm_classic = reverse_comm_classic = 0;
		exchange_comm_on_host = forward_comm_on_host = reverse_comm_on_host = 0;
		} else {
		if (num_threads > 1) {
		neighflag = HALFTHREAD;
		neighflag_qeq = HALFTHREAD;
		} else {
		neighflag = HALF;
		neighflag_qeq = HALF;
		}
		neighflag_qeq_set = 0;
		newtonflag = 1;
		exchange_comm_classic = forward_comm_classic = reverse_comm_classic = 1;
		exchange_comm_on_host = forward_comm_on_host = reverse_comm_on_host = 0;
		}

		#if KOKKOS_USE_CUDA
		// only if we can safely detect, that GPU-direct is not available, change default
		@@ -218,17 +230,6 @@ KokkosLMP::~KokkosLMP()

		void KokkosLMP::accelerator(int narg, char **arg)
		{
		// defaults

		neighflag = FULL;
		neighflag_qeq = FULL;
		neighflag_qeq_set = 0;
		int newtonflag = 0;
		double binsize = 0.0;
		exchange_comm_classic = forward_comm_classic = reverse_comm_classic = 0;
		exchange_comm_on_host = forward_comm_on_host = reverse_comm_on_host = 0;
		gpu_direct_flag = 1;

		int iarg = 0;
		while (iarg < narg) {
		if (strcmp(arg[iarg],"neigh") == 0) {

+2 −0

Original line number	Diff line number	Diff line
		@@ -36,6 +36,8 @@ class KokkosLMP : protected Pointers {
		int numa;
		int auto_sync;
		int gpu_direct_flag;
		int newtonflag;
		double binsize;

		KokkosLMP(class LAMMPS , int, char *);
		~KokkosLMP();