Move FFT data types out of kokkos_type.h (f8e2543c) · Commits · 郑智淋 / lammps

src/KOKKOS/Install.sh

+1 −0

Original line number	Diff line number	Diff line
		@@ -160,6 +160,7 @@ action kissfft_kokkos.h kissfft.h
		action kokkos.cpp
		action kokkos.h
		action kokkos_base.h
		action kokkos_base_fft.h fft3d.h
		action kokkos_few.h
		action kokkos_type.h
		action memory_kokkos.h

src/KOKKOS/fft3d_kokkos.cpp

+0 −1

Original line number	Diff line number	Diff line
		@@ -21,7 +21,6 @@
		#include <math.h>
		#include "fft3d_kokkos.h"
		#include "remap_kokkos.h"
		#include "kokkos_type.h"
		#include "error.h"
		#include "kokkos.h"

src/KOKKOS/fft3d_kokkos.h

+2 −4

Original line number	Diff line number	Diff line
		@@ -15,11 +15,9 @@
		#define LMP_FFT3D_KOKKOS_H

		#include "pointers.h"
		#include "kokkos_type.h"
		#include "remap_kokkos.h"
		#include "fftdata_kokkos.h"


		namespace LAMMPS_NS {

		// -------------------------------------------------------------------------
		@@ -29,7 +27,7 @@ namespace LAMMPS_NS {
		template<class DeviceType>
		struct fft_plan_3d_kokkos {
		typedef DeviceType device_type;
		typedef ArrayTypes<DeviceType> AT;
		typedef FFTArrayTypes<DeviceType> AT;

		struct remap_plan_3d_kokkos<DeviceType> *pre_plan; // remap from input -> 1st FFTs
		struct remap_plan_3d_kokkos<DeviceType> *mid1_plan; // remap from 1st -> 2nd FFTs
		@@ -75,7 +73,7 @@ template<class DeviceType>
		class FFT3dKokkos : protected Pointers {
		public:
		typedef DeviceType device_type;
		typedef ArrayTypes<DeviceType> AT;
		typedef FFTArrayTypes<DeviceType> AT;

		FFT3dKokkos(class LAMMPS *, MPI_Comm,
		int,int,int,int,int,int,int,int,int,int,int,int,int,int,int,

src/KOKKOS/fftdata_kokkos.h

+63 −0

Original line number	Diff line number	Diff line
		@@ -121,4 +121,67 @@ typedef double FFT_SCALAR;
		#endif
		#endif


		template <class DeviceType>
		struct FFTArrayTypes;

		template <>
		struct FFTArrayTypes<LMPDeviceType> {

		typedef Kokkos::
		DualView<FFT_SCALAR*, Kokkos::LayoutRight, LMPDeviceType> tdual_FFT_SCALAR_1d;
		typedef tdual_FFT_SCALAR_1d::t_dev t_FFT_SCALAR_1d;
		typedef tdual_FFT_SCALAR_1d::t_dev_um t_FFT_SCALAR_1d_um;

		typedef Kokkos::DualView<FFT_SCALAR**,Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_2d;
		typedef tdual_FFT_SCALAR_2d::t_dev t_FFT_SCALAR_2d;

		typedef Kokkos::DualView<FFT_SCALAR**[3],Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_2d_3;
		typedef tdual_FFT_SCALAR_2d_3::t_dev t_FFT_SCALAR_2d_3;

		typedef Kokkos::DualView<FFT_SCALAR***,Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_3d;
		typedef tdual_FFT_SCALAR_3d::t_dev t_FFT_SCALAR_3d;

		typedef Kokkos::
		DualView<FFT_DATA*, Kokkos::LayoutRight, LMPDeviceType> tdual_FFT_DATA_1d;
		typedef tdual_FFT_DATA_1d::t_dev t_FFT_DATA_1d;
		typedef tdual_FFT_DATA_1d::t_dev_um t_FFT_DATA_1d_um;

		typedef Kokkos::
		DualView<int*, LMPDeviceType::array_layout, LMPDeviceType> tdual_int_64;
		typedef tdual_int_64::t_dev t_int_64;
		typedef tdual_int_64::t_dev_um t_int_64_um;

		#ifdef KOKKOS_ENABLE_CUDA
		template <>
		struct FFTArrayTypes<LMPHostType> {

		//Kspace

		typedef Kokkos::
		DualView<FFT_SCALAR*, Kokkos::LayoutRight, LMPDeviceType> tdual_FFT_SCALAR_1d;
		typedef tdual_FFT_SCALAR_1d::t_host t_FFT_SCALAR_1d;
		typedef tdual_FFT_SCALAR_1d::t_host_um t_FFT_SCALAR_1d_um;

		typedef Kokkos::DualView<FFT_SCALAR**,Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_2d;
		typedef tdual_FFT_SCALAR_2d::t_host t_FFT_SCALAR_2d;

		typedef Kokkos::DualView<FFT_SCALAR**[3],Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_2d_3;
		typedef tdual_FFT_SCALAR_2d_3::t_host t_FFT_SCALAR_2d_3;

		typedef Kokkos::DualView<FFT_SCALAR***,Kokkos::LayoutRight,LMPDeviceType> tdual_FFT_SCALAR_3d;
		typedef tdual_FFT_SCALAR_3d::t_host t_FFT_SCALAR_3d;

		typedef Kokkos::
		DualView<FFT_DATA*, Kokkos::LayoutRight, LMPDeviceType> tdual_FFT_DATA_1d;
		typedef tdual_FFT_DATA_1d::t_host t_FFT_DATA_1d;
		typedef tdual_FFT_DATA_1d::t_host_um t_FFT_DATA_1d_um;

		typedef Kokkos::
		DualView<int*, LMPDeviceType::array_layout, LMPDeviceType> tdual_int_64;
		typedef tdual_int_64::t_host t_int_64;
		typedef tdual_int_64::t_host_um t_int_64_um;

		};

		#endif

src/KOKKOS/gridcomm_kokkos.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -517,7 +517,7 @@ void GridCommKokkos<DeviceType>::forward_comm(KSpace *kspace, int which)
		k_packlist.sync<DeviceType>();
		k_unpacklist.sync<DeviceType>();

		KokkosBase* kspaceKKBase = dynamic_cast<KokkosBase*>(kspace);
		KokkosBaseFFT* kspaceKKBase = dynamic_cast<KokkosBaseFFT*>(kspace);

		for (int m = 0; m < nswap; m++) {
		if (swap[m].sendproc == me)
		@@ -567,7 +567,7 @@ void GridCommKokkos<DeviceType>::reverse_comm(KSpace *kspace, int which)
		k_packlist.sync<DeviceType>();
		k_unpacklist.sync<DeviceType>();

		KokkosBase* kspaceKKBase = dynamic_cast<KokkosBase*>(kspace);
		KokkosBaseFFT* kspaceKKBase = dynamic_cast<KokkosBaseFFT*>(kspace);

		for (int m = nswap-1; m >= 0; m--) {
		if (swap[m].recvproc == me)

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