BUGFIX: use Kokkos::atomic_fetch_max() to avoid a race on new_maxneighs (01d0a5c4) · Commits · 郑智淋 / lammps

src/KOKKOS/npair_kokkos.cpp

+6 −6

Original line number	Diff line number	Diff line
		@@ -422,10 +422,10 @@ void NeighborKokkosExecute<DeviceType>::

		neigh_list.d_numneigh(i) = n;

		if(n >= neigh_list.maxneighs) {
		if(n > neigh_list.maxneighs) {
		resize() = 1;

		if(n >= new_maxneighs()) new_maxneighs() = n;
		if(n > new_maxneighs()) Kokkos::atomic_fetch_max(&new_maxneighs(),n);
		}

		neigh_list.d_ilist(i) = i;
		@@ -632,10 +632,10 @@ void NeighborKokkosExecute<DeviceType>::build_ItemCuda(typename Kokkos::TeamPoli
		neigh_list.d_ilist(i) = i;
		}

		if(n >= neigh_list.maxneighs) {
		if(n > neigh_list.maxneighs) {
		resize() = 1;

		if(n >= new_maxneighs()) new_maxneighs() = n;
		if(n > new_maxneighs()) Kokkos::atomic_fetch_max(&new_maxneighs(),n);
		}
		}
		}
		@@ -755,10 +755,10 @@ void NeighborKokkosExecute<DeviceType>::

		neigh_list.d_numneigh(i) = n;

		if(n >= neigh_list.maxneighs) {
		if(n > neigh_list.maxneighs) {
		resize() = 1;

		if(n >= new_maxneighs()) new_maxneighs() = n;
		if(n > new_maxneighs()) Kokkos::atomic_fetch_max(&new_maxneighs(),n);
		}
		neigh_list.d_ilist(i) = i;
		}