Merge pull request #1363 from stanmoore1/kk_deprecated (2077df54) · Commits · 郑智淋 / lammps

src/KOKKOS/angle_charmm_kokkos.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -447,7 +447,7 @@ void AngleCharmmKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in

		namespace LAMMPS_NS {
		template class AngleCharmmKokkos<LMPDeviceType>;
		#ifdef KOKKOS_HAVE_CUDA
		#ifdef KOKKOS_ENABLE_CUDA
		template class AngleCharmmKokkos<LMPHostType>;
		#endif
		}

src/KOKKOS/angle_class2_kokkos.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -598,7 +598,7 @@ void AngleClass2Kokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in

		namespace LAMMPS_NS {
		template class AngleClass2Kokkos<LMPDeviceType>;
		#ifdef KOKKOS_HAVE_CUDA
		#ifdef KOKKOS_ENABLE_CUDA
		template class AngleClass2Kokkos<LMPHostType>;
		#endif
		}

src/KOKKOS/angle_cosine_kokkos.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -387,7 +387,7 @@ void AngleCosineKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in

		namespace LAMMPS_NS {
		template class AngleCosineKokkos<LMPDeviceType>;
		#ifdef KOKKOS_HAVE_CUDA
		#ifdef KOKKOS_ENABLE_CUDA
		template class AngleCosineKokkos<LMPHostType>;
		#endif
		}

src/KOKKOS/angle_harmonic_kokkos.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -405,7 +405,7 @@ void AngleHarmonicKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const

		namespace LAMMPS_NS {
		template class AngleHarmonicKokkos<LMPDeviceType>;
		#ifdef KOKKOS_HAVE_CUDA
		#ifdef KOKKOS_ENABLE_CUDA
		template class AngleHarmonicKokkos<LMPHostType>;
		#endif
		}

src/KOKKOS/atom_vec_kokkos.h

+14 −14

Original line number	Diff line number	Diff line
		@@ -125,7 +125,7 @@ class AtomVecKokkos : public AtomVec {
		size_t buffer_size;
		void* buffer;

		#ifdef KOKKOS_HAVE_CUDA
		#ifdef KOKKOS_ENABLE_CUDA
		template<class ViewType>
		Kokkos::View<typename ViewType::data_type,
		typename ViewType::array_layout,
		@@ -139,11 +139,11 @@ class AtomVecKokkos : public AtomVec {
		Kokkos::CudaHostPinnedSpace,typename ViewType::memory_space>::type,
		Kokkos::MemoryTraits<Kokkos::Unmanaged> > mirror_type;
		if (buffer_size == 0) {
		buffer = Kokkos::kokkos_malloc<Kokkos::CudaHostPinnedSpace>(src.capacity());
		buffer_size = src.capacity();
		} else if (buffer_size < src.capacity()) {
		buffer = Kokkos::kokkos_realloc<Kokkos::CudaHostPinnedSpace>(buffer,src.capacity());
		buffer_size = src.capacity();
		buffer = Kokkos::kokkos_malloc<Kokkos::CudaHostPinnedSpace>(src.span());
		buffer_size = src.span();
		} else if (buffer_size < src.span()) {
		buffer = Kokkos::kokkos_realloc<Kokkos::CudaHostPinnedSpace>(buffer,src.span());
		buffer_size = src.span();
		}
		return mirror_type( buffer ,
		src.extent(0) ,
		@@ -157,7 +157,7 @@ class AtomVecKokkos : public AtomVec {
		}

		template<class ViewType>
		void perform_async_copy(const ViewType& src, unsigned int space) {
		void perform_async_copy(ViewType& src, unsigned int space) {
		typedef Kokkos::View<typename ViewType::data_type,
		typename ViewType::array_layout,
		typename std::conditional<
		@@ -165,11 +165,11 @@ class AtomVecKokkos : public AtomVec {
		Kokkos::CudaHostPinnedSpace,typename ViewType::memory_space>::type,
		Kokkos::MemoryTraits<Kokkos::Unmanaged> > mirror_type;
		if (buffer_size == 0) {
		buffer = Kokkos::kokkos_malloc<Kokkos::CudaHostPinnedSpace>(src.capacity()*sizeof(typename ViewType::value_type));
		buffer_size = src.capacity();
		} else if (buffer_size < src.capacity()) {
		buffer = Kokkos::kokkos_realloc<Kokkos::CudaHostPinnedSpace>(buffer,src.capacity()*sizeof(typename ViewType::value_type));
		buffer_size = src.capacity();
		buffer = Kokkos::kokkos_malloc<Kokkos::CudaHostPinnedSpace>(src.span()*sizeof(typename ViewType::value_type));
		buffer_size = src.span();
		} else if (buffer_size < src.span()) {
		buffer = Kokkos::kokkos_realloc<Kokkos::CudaHostPinnedSpace>(buffer,src.span()*sizeof(typename ViewType::value_type));
		buffer_size = src.span();
		}
		mirror_type tmp_view( (typename ViewType::value_type*)buffer ,
		src.extent(0) ,
		@@ -183,11 +183,11 @@ class AtomVecKokkos : public AtomVec {
		if(space == Device) {
		Kokkos::deep_copy(LMPHostType(),tmp_view,src.h_view),
		Kokkos::deep_copy(LMPHostType(),src.d_view,tmp_view);
		src.modified_device() = src.modified_host();
		src.clear_sync_state();
		} else {
		Kokkos::deep_copy(LMPHostType(),tmp_view,src.d_view),
		Kokkos::deep_copy(LMPHostType(),src.h_view,tmp_view);
		src.modified_device() = src.modified_host();
		src.clear_sync_state();
		}
		}
		#else

Admin message