Use multiple inheritance to remove accelerator_kokkos.h out of region.h and kspace.h (31eb1292) · Commits · 郑智淋 / lammps

src/KOKKOS/fix_setforce_kokkos.cpp

+3 −1

Original line number	Diff line number	Diff line
		@@ -26,6 +26,7 @@
		#include "error.h"
		#include "force.h"
		#include "atom_masks.h"
		#include "kokkos_base.h"

		using namespace LAMMPS_NS;
		using namespace FixConst;
		@@ -90,7 +91,8 @@ void FixSetForceKokkos<DeviceType>::post_force(int vflag)
		region = domain->regions[iregion];
		region->prematch();
		DAT::tdual_int_1d k_match = DAT::tdual_int_1d("setforce:k_match",nlocal);
		region->match_all_kokkos(groupbit,k_match);
		KokkosBase* regionKKBase = (KokkosBase*) region;
		regionKKBase->match_all_kokkos(groupbit,k_match);
		k_match.template sync<DeviceType>();
		d_match = k_match.template view<DeviceType>();
		}

src/KOKKOS/gridcomm_kokkos.cpp

+11 −6

Original line number	Diff line number	Diff line
		@@ -17,6 +17,7 @@
		#include "kspace.h"
		#include "memory_kokkos.h"
		#include "error.h"
		#include "kokkos_base.h"

		using namespace LAMMPS_NS;

		@@ -515,11 +516,13 @@ void GridCommKokkos<DeviceType>::forward_comm(KSpace *kspace, int which)
		k_packlist.sync<DeviceType>();
		k_unpacklist.sync<DeviceType>();

		KokkosBase* kspaceKKBase = (KokkosBase*) kspace;

		for (int m = 0; m < nswap; m++) {
		if (swap[m].sendproc == me)
		kspace->pack_forward_kokkos(which,k_buf2,swap[m].npack,k_packlist,m);
		kspaceKKBase->pack_forward_kspace_kokkos(which,k_buf2,swap[m].npack,k_packlist,m);
		else
		kspace->pack_forward_kokkos(which,k_buf1,swap[m].npack,k_packlist,m);
		kspaceKKBase->pack_forward_kspace_kokkos(which,k_buf1,swap[m].npack,k_packlist,m);

		if (swap[m].sendproc != me) {
		MPI_Irecv(k_buf2.view<DeviceType>().ptr_on_device(),nforward*swap[m].nunpack,MPI_FFT_SCALAR,
		@@ -529,7 +532,7 @@ void GridCommKokkos<DeviceType>::forward_comm(KSpace *kspace, int which)
		MPI_Wait(&request,MPI_STATUS_IGNORE);
		}

		kspace->unpack_forward_kokkos(which,k_buf2,swap[m].nunpack,k_unpacklist,m);
		kspaceKKBase->unpack_forward_kspace_kokkos(which,k_buf2,swap[m].nunpack,k_unpacklist,m);
		}
		}

		@@ -544,11 +547,13 @@ void GridCommKokkos<DeviceType>::reverse_comm(KSpace *kspace, int which)
		k_packlist.sync<DeviceType>();
		k_unpacklist.sync<DeviceType>();

		KokkosBase* kspaceKKBase = (KokkosBase*) kspace;

		for (int m = nswap-1; m >= 0; m--) {
		if (swap[m].recvproc == me)
		kspace->pack_reverse_kokkos(which,k_buf2,swap[m].nunpack,k_unpacklist,m);
		kspaceKKBase->pack_reverse_kspace_kokkos(which,k_buf2,swap[m].nunpack,k_unpacklist,m);
		else
		kspace->pack_reverse_kokkos(which,k_buf1,swap[m].nunpack,k_unpacklist,m);
		kspaceKKBase->pack_reverse_kspace_kokkos(which,k_buf1,swap[m].nunpack,k_unpacklist,m);

		if (swap[m].recvproc != me) {
		MPI_Irecv(k_buf2.view<DeviceType>().ptr_on_device(),nreverse*swap[m].npack,MPI_FFT_SCALAR,
		@@ -558,7 +563,7 @@ void GridCommKokkos<DeviceType>::reverse_comm(KSpace *kspace, int which)
		MPI_Wait(&request,MPI_STATUS_IGNORE);
		}

		kspace->unpack_reverse_kokkos(which,k_buf2,swap[m].npack,k_packlist,m);
		kspaceKKBase->unpack_reverse_kspace_kokkos(which,k_buf2,swap[m].npack,k_packlist,m);
		}
		}

src/KOKKOS/kokkos_base.h

+11 −0

Original line number	Diff line number	Diff line
		@@ -21,10 +21,21 @@ namespace LAMMPS_NS {
		class KokkosBase {
		public:
		KokkosBase() {}

		//Kspace
		virtual void pack_forward_kspace_kokkos(int, DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {};
		virtual void unpack_forward_kspace_kokkos(int, DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {};
		virtual void pack_reverse_kspace_kokkos(int, DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {};
		virtual void unpack_reverse_kspace_kokkos(int, DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {};

		// Pair
		virtual int pack_forward_comm_kokkos(int, DAT::tdual_int_2d,
		int, DAT::tdual_xfloat_1d &,
		int, int *) {return 0;};
		virtual void unpack_forward_comm_kokkos(int, int, DAT::tdual_xfloat_1d &) {}

		// Region
		virtual void match_all_kokkos(int, DAT::tdual_int_1d) {}
		};

		}

src/KOKKOS/pppm_kokkos.cpp

+5 −4

Original line number	Diff line number	Diff line
		@@ -35,6 +35,7 @@
		#include "memory_kokkos.h"
		#include "error.h"
		#include "atom_masks.h"
		#include "kokkos.h"

		#include "math_const.h"
		#include "math_special_kokkos.h"
		@@ -2631,7 +2632,7 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_fieldforce_peratom, const int &i
		------------------------------------------------------------------------- */

		template<class DeviceType>
		void PPPMKokkos<DeviceType>::pack_forward_kokkos(int flag, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
		void PPPMKokkos<DeviceType>::pack_forward_kspace_kokkos(int flag, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
		{
		typename AT::t_int_2d_um d_list = k_list.view<DeviceType>();
		d_list_index = Kokkos::subview(d_list,index,Kokkos::ALL());
		@@ -2687,7 +2688,7 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_pack_forward2, const int &i) con
		------------------------------------------------------------------------- */

		template<class DeviceType>
		void PPPMKokkos<DeviceType>::unpack_forward_kokkos(int flag, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
		void PPPMKokkos<DeviceType>::unpack_forward_kspace_kokkos(int flag, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
		{
		typename AT::t_int_2d_um d_list = k_list.view<DeviceType>();
		d_list_index = Kokkos::subview(d_list,index,Kokkos::ALL());
		@@ -2744,7 +2745,7 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_unpack_forward2, const int &i) c
		------------------------------------------------------------------------- */

		template<class DeviceType>
		void PPPMKokkos<DeviceType>::pack_reverse_kokkos(int flag, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
		void PPPMKokkos<DeviceType>::pack_reverse_kspace_kokkos(int flag, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
		{
		typename AT::t_int_2d_um d_list = k_list.view<DeviceType>();
		d_list_index = Kokkos::subview(d_list,index,Kokkos::ALL());
		@@ -2774,7 +2775,7 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_pack_reverse, const int &i) cons
		------------------------------------------------------------------------- */

		template<class DeviceType>
		void PPPMKokkos<DeviceType>::unpack_reverse_kokkos(int flag, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
		void PPPMKokkos<DeviceType>::unpack_reverse_kspace_kokkos(int flag, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
		{
		typename AT::t_int_2d_um d_list = k_list.view<DeviceType>();
		d_list_index = Kokkos::subview(d_list,index,Kokkos::ALL());

src/KOKKOS/pppm_kokkos.h

+6 −5

Original line number	Diff line number	Diff line
		@@ -24,6 +24,7 @@ KSpaceStyle(pppm/kk/host,PPPMKokkos<LMPHostType>)

		#include "pppm.h"
		#include "gridcomm_kokkos.h"
		#include "kokkos_base.h"
		#include "kokkos_type.h"

		namespace LAMMPS_NS {
		@@ -86,7 +87,7 @@ struct TagPPPM_slabcorr4{};
		struct TagPPPM_timing_zero{};

		template<class DeviceType>
		class PPPMKokkos : public PPPM {
		class PPPMKokkos : public PPPM, public KokkosBase {
		public:
		typedef DeviceType device_type;
		typedef ArrayTypes<DeviceType> AT;
		@@ -379,10 +380,10 @@ class PPPMKokkos : public PPPM {

		// grid communication

		virtual void pack_forward_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int);
		virtual void unpack_forward_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int);
		virtual void pack_reverse_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int);
		virtual void unpack_reverse_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int);
		void pack_forward_kspace_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int);
		void unpack_forward_kspace_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int);
		void pack_reverse_kspace_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int);
		void unpack_reverse_kspace_kokkos(int, Kokkos::DualView<FFT_SCALAR*,Kokkos::LayoutRight,LMPDeviceType> &, int, DAT::tdual_int_2d &, int);

		// triclinic

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