Fixing more CUDA runtime issues (520ab26b) · Commits · 郑智淋 / lammps

src/KOKKOS/nbin_ssa_kokkos.cpp

+3 −0

Original line number	Diff line number	Diff line
		@@ -216,6 +216,9 @@ void NBinSSAKokkos<DeviceType>::bin_atoms()
		k_bincount.modify<DeviceType>();
		c_bins = bins; // bins won't change until the next bin_atoms

		k_gbins.modify<DeviceType>();
		k_gbincount.modify<DeviceType>();

		//now dispose of the k_binID array
		k_binID = DAT::tdual_int_1d("NBinSSAKokkos::binID",0);
		binID = k_binID.view<DeviceType>();

src/KOKKOS/npair_ssa_kokkos.cpp

+2 −7

Original line number	Diff line number	Diff line
		@@ -260,24 +260,18 @@ void NPairSSAKokkos<DeviceType>::build(NeighList *list_)
		k_ssa_gitemLen.sync<LMPHostType>();
		k_ssa_phaseOff.sync<LMPHostType>();
		k_ssa_phaseLen.sync<LMPHostType>();
		k_ssa_gphaseLen.sync<LMPHostType>();
		auto h_ssa_itemLoc = k_ssa_itemLoc.h_view;
		auto h_ssa_itemLen = k_ssa_itemLen.h_view;
		auto h_ssa_gitemLoc = k_ssa_gitemLoc.h_view;
		auto h_ssa_gitemLen = k_ssa_gitemLen.h_view;
		auto h_ssa_phaseOff = k_ssa_phaseOff.h_view;
		auto h_ssa_phaseLen = k_ssa_phaseLen.h_view;
		auto h_ssa_gphaseLen = k_ssa_gphaseLen.h_view;

		{ // Preflight the neighbor list workplan
		const typename ArrayTypes<DeviceType>::t_int_1d_const c_bincount = k_bincount.view<DeviceType>();
		k_bincount.sync<LMPHostType>();
		auto h_bincount = k_bincount.h_view;
		const typename ArrayTypes<DeviceType>::t_int_2d_const c_bins = k_bins.view<DeviceType>();
		const typename ArrayTypes<DeviceType>::t_int_1d_const_um c_stencil = k_stencil.view<DeviceType>();
		k_stencil.sync<LMPHostType>();
		auto h_stencil = k_stencil.h_view;
		const typename ArrayTypes<DeviceType>::t_int_1d_const c_nstencil_ssa = k_nstencil_ssa.view<DeviceType>();
		k_nstencil_ssa.sync<LMPHostType>();
		auto h_nstencil_ssa = k_nstencil_ssa.h_view;
		int inum = 0;
		@@ -358,6 +352,7 @@ fprintf(stdout, "tota%03d total %3d could use %6d inums, expected %6d inums. inu
		}

		// count how many ghosts might have neighbors, and increase the work plan storage
		k_gbincount.sync<LMPHostType>();
		for (int workPhase = 0; workPhase < ssa_gphaseCt; workPhase++) {
		int len = k_gbincount.h_view(workPhase + 1);
		h_ssa_gitemLoc(workPhase,0) = nl_size; // record where workItem starts in ilist
		@@ -370,7 +365,6 @@ fprintf(stdout, "tota%03d total %3d could use %6d inums, expected %6d inums. inu
		k_ssa_itemLen.modify<LMPHostType>();
		k_ssa_gitemLoc.modify<LMPHostType>();
		k_ssa_gitemLen.modify<LMPHostType>();
		k_ssa_phaseOff.modify<LMPHostType>();
		k_ssa_phaseLen.modify<LMPHostType>();
		k_ssa_itemLoc.sync<DeviceType>();
		k_ssa_itemLen.sync<DeviceType>();
		@@ -481,6 +475,7 @@ fprintf(stdout, "tota%03d total %3d could use %6d inums, expected %6d inums. inu
		k_ssa_gitemLoc.sync<LMPHostType>();
		k_ssa_gitemLen.sync<LMPHostType>();
		k_ssa_gphaseLen.sync<LMPHostType>();
		auto h_ssa_gphaseLen = k_ssa_gphaseLen.h_view;
		data.neigh_list.gnum = h_ssa_gitemLoc(ssa_gphaseCt-1,h_ssa_gphaseLen(ssa_gphaseCt-1)-1) +
		h_ssa_gitemLen(ssa_gphaseCt-1,h_ssa_gphaseLen(ssa_gphaseCt-1)-1) - data.neigh_list.inum;
		firstTry = false;

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