Rename team option to neigh/thread (b8d3c9e0) · Commits · 郑智淋 / lammps

src/KOKKOS/kokkos.cpp

+8 −8

Original line number	Diff line number	Diff line
		@@ -184,8 +184,8 @@ KokkosLMP::KokkosLMP(LAMMPS lmp, int narg, char *arg) : Pointers(lmp)

		binsize = 0.0;
		gpu_direct_flag = 1;
		team_flag = 0;
		team_flag_set = 0;
		neigh_thread = 0;
		neigh_thread_set = 0;
		neighflag_qeq_set = 0;
		if (ngpu > 0) {
		neighflag = FULL;
		@@ -319,12 +319,12 @@ void KokkosLMP::accelerator(int narg, char **arg)
		else if (strcmp(arg[iarg+1],"on") == 0) gpu_direct_flag = 1;
		else error->all(FLERR,"Illegal package kokkos command");
		iarg += 2;
		} else if (strcmp(arg[iarg],"team") == 0) {
		} else if (strcmp(arg[iarg],"neigh/thread") == 0) {
		if (iarg+2 > narg) error->all(FLERR,"Illegal package kokkos command");
		if (strcmp(arg[iarg+1],"off") == 0) team_flag = 0;
		else if (strcmp(arg[iarg+1],"on") == 0) team_flag = 1;
		if (strcmp(arg[iarg+1],"off") == 0) neigh_thread = 0;
		else if (strcmp(arg[iarg+1],"on") == 0) neigh_thread = 1;
		else error->all(FLERR,"Illegal package kokkos command");
		team_flag_set = 1;
		neigh_thread_set = 1;
		iarg += 2;
		} else error->all(FLERR,"Illegal package kokkos command");
		}
		@@ -345,8 +345,8 @@ void KokkosLMP::accelerator(int narg, char **arg)

		force->newton = force->newton_pair = force->newton_bond = newtonflag;

		if (team_flag && neighflag != FULL)
		error->all(FLERR,"Must use KOKKOS package option 'neigh full' with 'team on'");
		if (neigh_thread && neighflag != FULL)
		error->all(FLERR,"Must use KOKKOS package option 'neigh full' with 'neigh/thread on'");

		neighbor->binsize_user = binsize;
		if (binsize <= 0.0) neighbor->binsizeflag = 0;

+4 −4

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

		@@ -89,8 +89,8 @@ U: Must use Kokkos half/thread or full neighbor list with threads or GPUs

		Using Kokkos half-neighbor lists with threading is not allowed.

		E: Must use KOKKOS package option 'neigh full' with 'team on'
		E: Must use KOKKOS package option 'neigh full' with 'neigh_thread on'

		The 'team on' option requires a full neighbor list
		The 'neigh_thread on' option requires a full neighbor list

		*/

+3 −3

Original line number	Diff line number	Diff line
		@@ -867,11 +867,11 @@ template<class PairStyle, unsigned NEIGHFLAG, class Specialisation>
		EV_FLOAT pair_compute_neighlist (PairStyle* fpair, typename Kokkos::Impl::enable_if<(NEIGHFLAG&PairStyle::EnabledNeighFlags) != 0, NeighListKokkos<typename PairStyle::device_type>*>::type list) {
		EV_FLOAT ev;

		if (!fpair->lmp->kokkos->team_flag_set)
		if (!fpair->lmp->kokkos->neigh_thread_set)
		if (list->inum <= 16384)
		fpair->lmp->kokkos->team_flag = 1;
		fpair->lmp->kokkos->neigh_thread = 1;

		if (fpair->lmp->kokkos->team_flag) {
		if (fpair->lmp->kokkos->neigh_thread) {
		int vector_length = 8;
		int atoms_per_team = 32;