Remove deprecated Kokkos code (299f79c9) · Commits · 郑智淋 / lammps

src/KOKKOS/comm_kokkos.cpp

+21 −21

Original line number	Diff line number	Diff line
		@@ -205,7 +205,7 @@ void CommKokkos::forward_comm_device(int dummy)
		}
		n = avec->pack_comm_kokkos(sendnum[iswap],k_sendlist,
		iswap,k_buf_send,pbc_flag[iswap],pbc[iswap]);
		DeviceType::fence();
		DeviceType().fence();
		if (n) {
		MPI_Send(k_buf_send.view<DeviceType>().data(),
		n,MPI_DOUBLE,sendproc[iswap],0,world);
		@@ -224,14 +224,14 @@ void CommKokkos::forward_comm_device(int dummy)
		}
		n = avec->pack_comm_vel_kokkos(sendnum[iswap],k_sendlist,iswap,
		k_buf_send,pbc_flag[iswap],pbc[iswap]);
		DeviceType::fence();
		DeviceType().fence();
		if (n) {
		MPI_Send(k_buf_send.view<DeviceType>().data(),n,
		MPI_DOUBLE,sendproc[iswap],0,world);
		}
		if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
		avec->unpack_comm_vel_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_recv);
		DeviceType::fence();
		DeviceType().fence();
		} else {
		if (size_forward_recv[iswap])
		MPI_Irecv(k_buf_recv.view<DeviceType>().data(),
		@@ -239,26 +239,26 @@ void CommKokkos::forward_comm_device(int dummy)
		recvproc[iswap],0,world,&request);
		n = avec->pack_comm_kokkos(sendnum[iswap],k_sendlist,iswap,
		k_buf_send,pbc_flag[iswap],pbc[iswap]);
		DeviceType::fence();
		DeviceType().fence();
		if (n)
		MPI_Send(k_buf_send.view<DeviceType>().data(),n,
		MPI_DOUBLE,sendproc[iswap],0,world);
		if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
		avec->unpack_comm_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_recv);
		DeviceType::fence();
		DeviceType().fence();
		}
		} else {
		if (!ghost_velocity) {
		if (sendnum[iswap])
		n = avec->pack_comm_self(sendnum[iswap],k_sendlist,iswap,
		firstrecv[iswap],pbc_flag[iswap],pbc[iswap]);
		DeviceType::fence();
		DeviceType().fence();
		} else {
		n = avec->pack_comm_vel_kokkos(sendnum[iswap],k_sendlist,iswap,
		k_buf_send,pbc_flag[iswap],pbc[iswap]);
		DeviceType::fence();
		DeviceType().fence();
		avec->unpack_comm_vel_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_send);
		DeviceType::fence();
		DeviceType().fence();
		}
		}
		}
		@@ -334,7 +334,7 @@ void CommKokkos::reverse_comm_device()
		size_reverse_recv[iswap],MPI_DOUBLE,
		sendproc[iswap],0,world,&request);
		n = avec->pack_reverse_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_send);
		DeviceType::fence();
		DeviceType().fence();
		if (n)
		MPI_Send(k_buf_send.view<DeviceType>().data(),n,
		MPI_DOUBLE,recvproc[iswap],0,world);
		@@ -342,7 +342,7 @@ void CommKokkos::reverse_comm_device()
		}
		avec->unpack_reverse_kokkos(sendnum[iswap],k_sendlist,iswap,
		k_buf_recv);
		DeviceType::fence();
		DeviceType().fence();
		} else {
		if (sendnum[iswap])
		n = avec->unpack_reverse_self(sendnum[iswap],k_sendlist,iswap,
		@@ -410,7 +410,7 @@ void CommKokkos::forward_comm_pair_device(Pair *pair)

		n = pairKKBase->pack_forward_comm_kokkos(sendnum[iswap],k_sendlist,
		iswap,k_buf_send_pair,pbc_flag[iswap],pbc[iswap]);
		DeviceType::fence();
		DeviceType().fence();

		// exchange with another proc
		// if self, set recv buffer to send buffer
		@@ -445,7 +445,7 @@ void CommKokkos::forward_comm_pair_device(Pair *pair)
		// unpack buffer

		pairKKBase->unpack_forward_comm_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_recv_pair);
		DeviceType::fence();
		DeviceType().fence();
		}
		}

		@@ -647,7 +647,7 @@ void CommKokkos::exchange_device()
		k_exchange_sendlist,k_exchange_copylist,
		ExecutionSpaceFromDevice<DeviceType>::space,
		dim,lo,hi);
		DeviceType::fence();
		DeviceType().fence();
		} else {
		while (i < nlocal) {
		if (x[i][dim] < lo \|\| x[i][dim] >= hi) {
		@@ -671,7 +671,7 @@ void CommKokkos::exchange_device()
		atom->nlocal=avec->
		unpack_exchange_kokkos(k_buf_send,nrecv,atom->nlocal,dim,lo,hi,
		ExecutionSpaceFromDevice<DeviceType>::space);
		DeviceType::fence();
		DeviceType().fence();
		}
		} else {
		MPI_Sendrecv(&nsend,1,MPI_INT,procneigh[dim][0],0,
		@@ -704,7 +704,7 @@ void CommKokkos::exchange_device()
		atom->nlocal = avec->
		unpack_exchange_kokkos(k_buf_recv,nrecv,atom->nlocal,dim,lo,hi,
		ExecutionSpaceFromDevice<DeviceType>::space);
		DeviceType::fence();
		DeviceType().fence();
		}
		}

		@@ -964,13 +964,13 @@ void CommKokkos::borders_device() {
		n = avec->
		pack_border_vel_kokkos(nsend,k_sendlist,k_buf_send,iswap,
		pbc_flag[iswap],pbc[iswap],exec_space);
		DeviceType::fence();
		DeviceType().fence();
		}
		else {
		n = avec->
		pack_border_kokkos(nsend,k_sendlist,k_buf_send,iswap,
		pbc_flag[iswap],pbc[iswap],exec_space);
		DeviceType::fence();
		DeviceType().fence();
		}

		// swap atoms with other proc
		@@ -1000,21 +1000,21 @@ void CommKokkos::borders_device() {
		if (sendproc[iswap] != me) {
		avec->unpack_border_vel_kokkos(nrecv,atom->nlocal+atom->nghost,
		k_buf_recv,exec_space);
		DeviceType::fence();
		DeviceType().fence();
		} else {
		avec->unpack_border_vel_kokkos(nrecv,atom->nlocal+atom->nghost,
		k_buf_send,exec_space);
		DeviceType::fence();
		DeviceType().fence();
		}
		} else {
		if (sendproc[iswap] != me) {
		avec->unpack_border_kokkos(nrecv,atom->nlocal+atom->nghost,
		k_buf_recv,exec_space);
		DeviceType::fence();
		DeviceType().fence();
		} else {
		avec->unpack_border_kokkos(nrecv,atom->nlocal+atom->nghost,
		k_buf_send,exec_space);
		DeviceType::fence();
		DeviceType().fence();
		}
		}
		// set all pointers & counters

src/KOKKOS/fft3d_kokkos.cpp

+4 −4

Original line number	Diff line number	Diff line
		@@ -230,7 +230,7 @@ void FFT3dKokkos<DeviceType>::fft_3d_kokkos(typename FFT_AT::t_FFT_DATA_1d d_in,
		cufftExec(plan->plan_fast,d_data.data(),d_data.data(),flag);
		#else
		typename FFT_AT::t_FFT_DATA_1d d_tmp =
		typename FFT_AT::t_FFT_DATA_1d(Kokkos::view_alloc("fft_3d:tmp",Kokkos::WithoutInitializing),d_in.dimension_0());
		typename FFT_AT::t_FFT_DATA_1d(Kokkos::view_alloc("fft_3d:tmp",Kokkos::WithoutInitializing),d_in.extent(0));
		kiss_fft_functor<DeviceType> f;
		if (flag == -1)
		f = kiss_fft_functor<DeviceType>(d_data,d_tmp,plan->cfg_fast_forward,length);
		@@ -238,7 +238,7 @@ void FFT3dKokkos<DeviceType>::fft_3d_kokkos(typename FFT_AT::t_FFT_DATA_1d d_in,
		f = kiss_fft_functor<DeviceType>(d_data,d_tmp,plan->cfg_fast_backward,length);
		Kokkos::parallel_for(total/length,f);
		d_data = d_tmp;
		d_tmp = typename FFT_AT::t_FFT_DATA_1d(Kokkos::view_alloc("fft_3d:tmp",Kokkos::WithoutInitializing),d_in.dimension_0());
		d_tmp = typename FFT_AT::t_FFT_DATA_1d(Kokkos::view_alloc("fft_3d:tmp",Kokkos::WithoutInitializing),d_in.extent(0));
		#endif


		@@ -281,7 +281,7 @@ void FFT3dKokkos<DeviceType>::fft_3d_kokkos(typename FFT_AT::t_FFT_DATA_1d d_in,
		f = kiss_fft_functor<DeviceType>(d_data,d_tmp,plan->cfg_mid_backward,length);
		Kokkos::parallel_for(total/length,f);
		d_data = d_tmp;
		d_tmp = typename FFT_AT::t_FFT_DATA_1d(Kokkos::view_alloc("fft_3d:tmp",Kokkos::WithoutInitializing),d_in.dimension_0());
		d_tmp = typename FFT_AT::t_FFT_DATA_1d(Kokkos::view_alloc("fft_3d:tmp",Kokkos::WithoutInitializing),d_in.extent(0));
		#endif

		// 2nd mid-remap to prepare for 3rd FFTs
		@@ -864,7 +864,7 @@ void FFT3dKokkos<DeviceType>::fft_3d_1d_only_kokkos(typename FFT_AT::t_FFT_DATA_
		cufftExec(plan->plan_slow,d_data.data(),d_data.data(),flag);
		#else
		kiss_fft_functor<DeviceType> f;
		typename FFT_AT::t_FFT_DATA_1d d_tmp = typename FFT_AT::t_FFT_DATA_1d("fft_3d:tmp",d_data.dimension_0());
		typename FFT_AT::t_FFT_DATA_1d d_tmp = typename FFT_AT::t_FFT_DATA_1d("fft_3d:tmp",d_data.extent(0));
		if (flag == -1) {
		f = kiss_fft_functor<DeviceType>(d_data,d_tmp,plan->cfg_fast_forward,length1);
		Kokkos::parallel_for(total1/length1,f);

src/KOKKOS/gridcomm_kokkos.cpp

+4 −4

Original line number	Diff line number	Diff line
		@@ -524,7 +524,7 @@ void GridCommKokkos<DeviceType>::forward_comm(KSpace *kspace, int which)
		kspaceKKBase->pack_forward_kspace_kokkos(which,k_buf2,swap[m].npack,k_packlist,m);
		else
		kspaceKKBase->pack_forward_kspace_kokkos(which,k_buf1,swap[m].npack,k_packlist,m);
		DeviceType::fence();
		DeviceType().fence();

		if (swap[m].sendproc != me) {
		FFT_SCALAR* buf1;
		@@ -552,7 +552,7 @@ void GridCommKokkos<DeviceType>::forward_comm(KSpace *kspace, int which)
		}

		kspaceKKBase->unpack_forward_kspace_kokkos(which,k_buf2,swap[m].nunpack,k_unpacklist,m);
		DeviceType::fence();
		DeviceType().fence();
		}
		}

		@@ -574,7 +574,7 @@ void GridCommKokkos<DeviceType>::reverse_comm(KSpace *kspace, int which)
		kspaceKKBase->pack_reverse_kspace_kokkos(which,k_buf2,swap[m].nunpack,k_unpacklist,m);
		else
		kspaceKKBase->pack_reverse_kspace_kokkos(which,k_buf1,swap[m].nunpack,k_unpacklist,m);
		DeviceType::fence();
		DeviceType().fence();

		if (swap[m].recvproc != me) {
		FFT_SCALAR* buf1;
		@@ -602,7 +602,7 @@ void GridCommKokkos<DeviceType>::reverse_comm(KSpace *kspace, int which)
		}

		kspaceKKBase->unpack_reverse_kspace_kokkos(which,k_buf2,swap[m].npack,k_packlist,m);
		DeviceType::fence();
		DeviceType().fence();
		}
		}

src/KOKKOS/kokkos_type.h

+1 −1

Original line number	Diff line number	Diff line
		@@ -1012,7 +1012,7 @@ void memset_kokkos (ViewType &view) {
		#else
		Kokkos::parallel_for(view.span()*sizeof(typename ViewType::value_type)/4, f);
		#endif
		ViewType::execution_space::fence();
		ViewType::execution_space().fence();
		}

		struct params_lj_coul {

src/KOKKOS/pack_kokkos.h

+8 −8

Original line number	Diff line number	Diff line
		@@ -86,7 +86,7 @@ static void pack_3d(typename FFT_AT::t_FFT_SCALAR_1d_um d_data, int data_offset,
		const int nfast = plan->nfast;
		pack_3d_functor f(d_buf,buf_offset,d_data,data_offset,plan);
		Kokkos::parallel_for(nslownmidnfast,f);
		DeviceType::fence();
		DeviceType().fence();
		}

		/* ----------------------------------------------------------------------
		@@ -140,7 +140,7 @@ static void unpack_3d(typename FFT_AT::t_FFT_SCALAR_1d_um d_buf, int buf_offset,
		const int nfast = plan->nfast;
		unpack_3d_functor f(d_buf,buf_offset,d_data,data_offset,plan);
		Kokkos::parallel_for(nslownmidnfast,f);
		DeviceType::fence();
		DeviceType().fence();
		}

		/* ----------------------------------------------------------------------
		@@ -195,7 +195,7 @@ static void unpack_3d_permute1_1(typename FFT_AT::t_FFT_SCALAR_1d_um d_buf, int
		const int nfast = plan->nfast;
		unpack_3d_permute1_1_functor f(d_buf,buf_offset,d_data,data_offset,plan);
		Kokkos::parallel_for(nslownmidnfast,f);
		DeviceType::fence();
		DeviceType().fence();
		}
		/* ----------------------------------------------------------------------
		unpack from buf -> data, one axis permutation, 2 values/element
		@@ -249,7 +249,7 @@ static void unpack_3d_permute1_2(typename FFT_AT::t_FFT_SCALAR_1d_um d_buf, int
		const int nfast = plan->nfast;
		unpack_3d_permute1_2_functor f(d_buf,buf_offset,d_data,data_offset,plan);
		Kokkos::parallel_for(nslownmidnfast,f);
		DeviceType::fence();
		DeviceType().fence();
		}

		/* ----------------------------------------------------------------------
		@@ -305,7 +305,7 @@ static void unpack_3d_permute1_n(typename FFT_AT::t_FFT_SCALAR_1d_um d_buf, int
		const int nfast = plan->nfast;
		unpack_3d_permute1_n_functor f(d_buf,buf_offset,d_data,data_offset,plan);
		Kokkos::parallel_for(nslownmidnfast,f);
		DeviceType::fence();
		DeviceType().fence();
		}

		/* ----------------------------------------------------------------------
		@@ -358,7 +358,7 @@ static void unpack_3d_permute2_1(typename FFT_AT::t_FFT_SCALAR_1d_um d_buf, int
		const int nfast = plan->nfast;
		unpack_3d_permute2_1_functor f(d_buf,buf_offset,d_data,data_offset,plan);
		Kokkos::parallel_for(nslownmidnfast,f);
		DeviceType::fence();
		DeviceType().fence();
		}

		/* ----------------------------------------------------------------------
		@@ -412,7 +412,7 @@ static void unpack_3d_permute2_2(typename FFT_AT::t_FFT_SCALAR_1d_um d_buf, int
		const int nfast = plan->nfast;
		unpack_3d_permute2_2_functor f(d_buf,buf_offset,d_data,data_offset,plan);
		Kokkos::parallel_for(nslownmidnfast,f);
		DeviceType::fence();
		DeviceType().fence();
		}
		/* ----------------------------------------------------------------------
		unpack from buf -> data, two axis permutation, nqty values/element
		@@ -466,7 +466,7 @@ static void unpack_3d_permute2_n(typename FFT_AT::t_FFT_SCALAR_1d_um d_buf, int
		const int nfast = plan->nfast;
		unpack_3d_permute2_n_functor f(d_buf,buf_offset,d_data,data_offset,plan);
		Kokkos::parallel_for(nslownmidnfast,f);
		DeviceType::fence();
		DeviceType().fence();
		}

		};

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