Clear sharedsize for flat method (cb2a9e43) · Commits · 郑智淋 / lammps

src/KOKKOS/npair_kokkos.cpp

+14 −5

Original line number	Diff line number	Diff line
		@@ -219,12 +219,12 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
		#endif

		if (GHOST) {
		NPairKokkosBuildFunctorGhost<DeviceType,HALF_NEIGH> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
		NPairKokkosBuildFunctorGhost<DeviceType,HALF_NEIGH> f(data);
		Kokkos::parallel_for(nall, f);
		} else {
		if (newton_pair) {
		if (SIZE) {
		NPairKokkosBuildFunctorSize<DeviceType,TRI?0:HALF_NEIGH,1,TRI> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
		NPairKokkosBuildFunctorSize<DeviceType,TRI?1:HALF_NEIGH,1,TRI> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
		#ifdef KOKKOS_ENABLE_CUDA
		if (ExecutionSpaceFromDevice<DeviceType>::space == Device) {
		int team_size = atoms_per_bin*factor;
		@@ -232,7 +232,10 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
		if (team_size <= team_size_max) {
		Kokkos::TeamPolicy<DeviceType> config((mbins+factor-1)/factor,team_size);
		Kokkos::parallel_for(config, f);
		} else Kokkos::parallel_for(nall, f); // fall back to flat method
		} else { // fall back to flat method
		f.sharedsize = 0;
		Kokkos::parallel_for(nall, f);
		}
		} else
		Kokkos::parallel_for(nall, f);
		#else
		@@ -247,7 +250,10 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
		if (team_size <= team_size_max) {
		Kokkos::TeamPolicy<DeviceType> config((mbins+factor-1)/factor,team_size);
		Kokkos::parallel_for(config, f);
		} else Kokkos::parallel_for(nall, f); // fall back to flat method
		} else { // fall back to flat method
		f.sharedsize = 0;
		Kokkos::parallel_for(nall, f);
		}
		} else
		Kokkos::parallel_for(nall, f);
		#else
		@@ -264,7 +270,10 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
		if (team_size <= team_size_max) {
		Kokkos::TeamPolicy<DeviceType> config((mbins+factor-1)/factor,team_size);
		Kokkos::parallel_for(config, f);
		} else Kokkos::parallel_for(nall, f); // fall back to flat method
		} else { // fall back to flat method
		f.sharedsize = 0;
		Kokkos::parallel_for(nall, f);
		}
		} else
		Kokkos::parallel_for(nall, f);
		#else

src/KOKKOS/npair_kokkos.h

+11 −14

Original line number	Diff line number	Diff line
		@@ -379,11 +379,11 @@ struct NPairKokkosBuildFunctor {
		typedef DeviceType device_type;

		const NeighborKokkosExecute<DeviceType> c;
		const size_t sharedsize;
		size_t sharedsize;

		NPairKokkosBuildFunctor(const NeighborKokkosExecute<DeviceType> &_c,
		const size_t _sharedsize):c(_c),
		sharedsize(_sharedsize) {};
		size_t _sharedsize):c(_c),
		sharedsize(_sharedsize) {}

		KOKKOS_INLINE_FUNCTION
		void operator() (const int & i) const {
		@@ -404,11 +404,11 @@ struct NPairKokkosBuildFunctor<LMPHostType,HALF_NEIGH,GHOST_NEWTON,TRI> {
		typedef LMPHostType device_type;

		const NeighborKokkosExecute<LMPHostType> c;
		const size_t sharedsize;
		size_t sharedsize;

		NPairKokkosBuildFunctor(const NeighborKokkosExecute<LMPHostType> &_c,
		const size_t _sharedsize):c(_c),
		sharedsize(_sharedsize) {};
		size_t _sharedsize):c(_c),
		sharedsize(_sharedsize) {}

		KOKKOS_INLINE_FUNCTION
		void operator() (const int & i) const {
		@@ -423,11 +423,8 @@ struct NPairKokkosBuildFunctorGhost {
		typedef DeviceType device_type;

		const NeighborKokkosExecute<DeviceType> c;
		const size_t sharedsize;

		NPairKokkosBuildFunctorGhost(const NeighborKokkosExecute<DeviceType> &_c,
		const size_t _sharedsize):c(_c),
		sharedsize(_sharedsize) {};
		NPairKokkosBuildFunctorGhost(const NeighborKokkosExecute<DeviceType> &_c):c(_c) {}

		KOKKOS_INLINE_FUNCTION
		void operator() (const int & i) const {
		@@ -440,10 +437,10 @@ struct NPairKokkosBuildFunctorSize {
		typedef DeviceType device_type;

		const NeighborKokkosExecute<DeviceType> c;
		const size_t sharedsize;
		size_t sharedsize;

		NPairKokkosBuildFunctorSize(const NeighborKokkosExecute<DeviceType> &_c,
		const size_t _sharedsize): c(_c), sharedsize(_sharedsize) {};
		size_t _sharedsize): c(_c), sharedsize(_sharedsize) {}

		KOKKOS_INLINE_FUNCTION
		void operator() (const int & i) const {
		@@ -464,10 +461,10 @@ struct NPairKokkosBuildFunctorSize<LMPHostType,HALF_NEIGH,GHOST_NEWTON,TRI> {
		typedef LMPHostType device_type;

		const NeighborKokkosExecute<LMPHostType> c;
		const size_t sharedsize;
		size_t sharedsize;

		NPairKokkosBuildFunctorSize(const NeighborKokkosExecute<LMPHostType> &_c,
		const size_t _sharedsize): c(_c), sharedsize(_sharedsize) {};
		size_t _sharedsize): c(_c), sharedsize(_sharedsize) {}

		KOKKOS_INLINE_FUNCTION
		void operator() (const int & i) const {

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