Reduce GPU data movement in npair_kokkos (179026dd) · Commits · 郑智淋 / lammps

src/KOKKOS/npair_kokkos.cpp

+11 −0

Changes for src/KOKKOS/npair_kokkos.cpp: 11 added lines, 0 removed lines.
Original line number	Diff line number	Diff line
		@@ -187,7 +187,18 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
		k_bincount.sync<DeviceType>();
		k_bins.sync<DeviceType>();
		k_atom2bin.sync<DeviceType>();

		if (atom->molecular) {
		if (exclude)
		atomKK->sync(Device,X_MASK\|RADIUS_MASK\|TYPE_MASK\|MASK_MASK\|MOLECULE_MASK\|TAG_MASK\|SPECIAL_MASK);
		else
		atomKK->sync(Device,X_MASK\|RADIUS_MASK\|TYPE_MASK\|TAG_MASK\|SPECIAL_MASK);
		} else {
		if (exclude)
		atomKK->sync(Device,X_MASK\|RADIUS_MASK\|TYPE_MASK\|MASK_MASK);
		else
		atomKK->sync(Device,X_MASK\|RADIUS_MASK\|TYPE_MASK);
		}

		data.special_flag[0] = special_flag[0];
		data.special_flag[1] = special_flag[1];