Fix issue in npair_skip_kokkos (52d3e98f) · Commits · 郑智淋 / lammps

src/KOKKOS/npair_skip_kokkos.cpp

+1 −2

Original line number	Diff line number	Diff line
		@@ -133,9 +133,8 @@ void NPairSkipKokkos<DeviceType>::operator()(TagNPairSkipCompute, const int &ii)

		template<class DeviceType>
		KOKKOS_INLINE_FUNCTION
		void NPairSkipKokkos<DeviceType>::operator()(TagNPairSkipCountLocal, const int &i, int num) const {
		void NPairSkipKokkos<DeviceType>::operator()(TagNPairSkipCountLocal, const int &i, int &num) const {
		if (d_ilist[i] < nlocal) num++;
		else return;
		}

+8 −4

Original line number	Diff line number	Diff line
		@@ -69,7 +69,7 @@ class NPairSkipKokkos : public NPair {
		void operator()(TagNPairSkipCompute, const int&) const;

		KOKKOS_INLINE_FUNCTION
		void operator()(TagNPairSkipCountLocal, const int&, int) const;
		void operator()(TagNPairSkipCountLocal, const int&, int&) const;

		private:
		int nlocal;
		@@ -78,9 +78,13 @@ class NPairSkipKokkos : public NPair {

		typename AT::t_int_scalar d_inum;

		typename AT::t_neighbors_2d d_neighbors,d_neighbors_skip;
		typename AT::t_int_1d d_ilist,d_ilist_skip;
		typename AT::t_int_1d d_numneigh,d_numneigh_skip;
		typename AT::t_neighbors_2d_const d_neighbors_skip;
		typename AT::t_int_1d_const d_ilist_skip;
		typename AT::t_int_1d_const d_numneigh_skip;

		typename AT::t_neighbors_2d d_neighbors;
		typename AT::t_int_1d d_ilist;
		typename AT::t_int_1d d_numneigh;

		DAT::tdual_int_1d k_iskip;
		DAT::tdual_int_2d k_ijskip;