Don't reallocate views every time in neigh_bond_kokkos (2ee02cfa) · Commits · 郑智淋 / lammps

src/KOKKOS/neigh_bond_kokkos.cpp

+6 −2

Original line number	Diff line number	Diff line
		@@ -200,6 +200,7 @@ void NeighBondKokkos<DeviceType>::build_topology_kk()
		{
		atomKK->sync(execution_space, X_MASK \| TAG_MASK);
		int nall = atom->nlocal + atom->nghost;
		int nmax = atom->nmax;

		nlocal = atom->nlocal;
		x = atomKK->k_x.view<DeviceType>();
		@@ -215,7 +216,9 @@ void NeighBondKokkos<DeviceType>::build_topology_kk()

		int* map_array_host = atom->get_map_array();
		int map_size = atom->get_map_size();
		k_map_array = DAT::tdual_int_1d("NeighBond:map_array",map_size);
		int map_maxarray = atom->get_map_maxarray();
		if (map_maxarray > k_map_array.extent(0))
		k_map_array = DAT::tdual_int_1d("NeighBond:map_array",map_maxarray);
		for (int i=0; i<map_size; i++)
		k_map_array.h_view[i] = map_array_host[i];
		k_map_array.template modify<LMPHostType>();
		@@ -223,7 +226,8 @@ void NeighBondKokkos<DeviceType>::build_topology_kk()
		map_array = k_map_array.view<DeviceType>();

		int* sametag_host = atomKK->sametag;
		k_sametag = DAT::tdual_int_1d("NeighBond:sametag",nall);
		if (nmax > k_sametag.extent(0))
		k_sametag = DAT::tdual_int_1d("NeighBond:sametag",nmax);
		for (int i=0; i<nall; i++)
		k_sametag.h_view[i] = sametag_host[i];
		k_sametag.template modify<LMPHostType>();

+1 −0

Original line number	Diff line number	Diff line
		@@ -286,6 +286,7 @@ class Atom : protected Pointers {

		inline int* get_map_array() {return map_array;};
		inline int get_map_size() {return map_tag_max+1;};
		inline int get_map_maxarray() {return map_maxarray+1;};

		bigint memory_usage();
		int memcheck(const char *);