fix several GPU memory bugs in pair_table_kokkos (53a1de1d) · Commits · 郑智淋 / lammps

src/KOKKOS/pair_table_kokkos.cpp

+7 −1

Original line number	Diff line number	Diff line
		@@ -334,7 +334,9 @@ void PairTableKokkos<DeviceType>::create_kokkos_tables()
		Kokkos::deep_copy(d_table->f,h_table->f);
		d_table_const.f = d_table->f;
		Kokkos::deep_copy(d_table->de,h_table->de);
		d_table_const.de = d_table->de;
		Kokkos::deep_copy(d_table->df,h_table->df);
		d_table_const.df = d_table->df;
		}

		if(tabstyle == SPLINE) {
		@@ -366,6 +368,10 @@ void PairTableKokkos<DeviceType>::create_kokkos_tables()
		}

		Kokkos::deep_copy(d_table->cutsq,h_table->cutsq);
		d_table_const.cutsq = d_table->cutsq;
		Kokkos::deep_copy(d_table->tabindex,h_table->tabindex);
		d_table_const.tabindex = d_table->tabindex;

		update_table = 0;
		}

		@@ -382,9 +388,9 @@ void PairTableKokkos<DeviceType>::allocate()
		memory->create(setflag,nt,nt,"pair:setflag");
		memory->create_kokkos(d_table->cutsq,h_table->cutsq,cutsq,nt,nt,"pair:cutsq");
		memory->create_kokkos(d_table->tabindex,h_table->tabindex,tabindex,nt,nt,"pair:tabindex");

		d_table_const.cutsq = d_table->cutsq;
		d_table_const.tabindex = d_table->tabindex;

		memset(&setflag[0][0],0,ntntsizeof(int));
		memset(&cutsq[0][0],0,ntntsizeof(double));
		memset(&tabindex[0][0],0,ntntsizeof(int));