Only copy pbc info in comm setup (e2d28f51) · Commits · 郑智淋 / lammps

src/KOKKOS/comm_kokkos.cpp

+32 −20

Original line number	Diff line number	Diff line
		@@ -140,6 +140,31 @@ void CommKokkos::init()
		forward_comm_classic = true;
		}

		/* ---------------------------------------------------------------------- */

		void CommKokkos::setup()
		{
		CommBrick::setup();

		k_pbc_flag = DAT::tdual_int_1d("comm:pbc_flag",nswap);
		k_pbc = DAT::tdual_int_2d("comm:pbc",nswap,6);

		for (int iswap = 0; iswap < nswap; iswap++) {
		k_pbc_flag.h_view[iswap] = pbc_flag[iswap];
		k_pbc.h_view(iswap,0) = pbc[iswap][0];
		k_pbc.h_view(iswap,1) = pbc[iswap][1];
		k_pbc.h_view(iswap,2) = pbc[iswap][2];
		k_pbc.h_view(iswap,3) = pbc[iswap][3];
		k_pbc.h_view(iswap,4) = pbc[iswap][4];
		k_pbc.h_view(iswap,5) = pbc[iswap][5];
		}
		k_pbc_flag.modify<LMPHostType>();
		k_pbc.modify<LMPHostType>();

		k_pbc_flag.sync<LMPDeviceType>();
		k_pbc.sync<LMPDeviceType>();
		}

		/* ----------------------------------------------------------------------
		forward communication of atom coords every timestep
		other per-atom attributes may also be sent via pack/unpack routines
		@@ -759,7 +784,7 @@ void CommKokkos::borders()
		}

		if (comm->nprocs == 1 && !forward_comm_classic)
		copy_pbc_info();
		copy_swap_info();
		}

		/* ---------------------------------------------------------------------- */
		@@ -1049,38 +1074,25 @@ void CommKokkos::borders_device() {
		}

		/* ----------------------------------------------------------------------
		copy pbc info
		copy swap info
		------------------------------------------------------------------------- */

		void CommKokkos::copy_pbc_info()
		void CommKokkos::copy_swap_info()
		{
		if (nswap > k_pbc.extent(0)) {
		k_pbc = DAT::tdual_int_2d("comm:pbc",nswap,6);
		k_swap = DAT::tdual_int_2d("comm:swap",3,nswap);
		k_pbc_flag .d_view = Kokkos::subview(k_swap.d_view,0,Kokkos::ALL);
		k_firstrecv .d_view = Kokkos::subview(k_swap.d_view,1,Kokkos::ALL);
		k_sendnum_scan.d_view = Kokkos::subview(k_swap.d_view,2,Kokkos::ALL);
		k_pbc_flag .h_view = Kokkos::subview(k_swap.h_view,0,Kokkos::ALL);
		k_firstrecv .h_view = Kokkos::subview(k_swap.h_view,1,Kokkos::ALL);
		k_sendnum_scan.h_view = Kokkos::subview(k_swap.h_view,2,Kokkos::ALL);
		if (nswap > k_swap.extent(1)) {
		k_swap = DAT::tdual_int_2d("comm:swap",2,nswap);
		k_firstrecv = Kokkos::subview(k_swap,0,Kokkos::ALL);
		k_sendnum_scan = Kokkos::subview(k_swap,1,Kokkos::ALL);
		}
		int scan = 0;
		for (int iswap = 0; iswap < nswap; iswap++) {
		scan += sendnum[iswap];
		k_sendnum_scan.h_view[iswap] = scan;
		k_firstrecv.h_view[iswap] = firstrecv[iswap];
		k_pbc_flag.h_view[iswap] = pbc_flag[iswap];
		k_pbc.h_view(iswap,0) = pbc[iswap][0];
		k_pbc.h_view(iswap,1) = pbc[iswap][1];
		k_pbc.h_view(iswap,2) = pbc[iswap][2];
		k_pbc.h_view(iswap,3) = pbc[iswap][3];
		k_pbc.h_view(iswap,4) = pbc[iswap][4];
		k_pbc.h_view(iswap,5) = pbc[iswap][5];
		}
		totalsend = scan;

		k_swap.modify<LMPHostType>();
		k_pbc.modify<LMPHostType>();
		}

		/* ----------------------------------------------------------------------

src/KOKKOS/comm_kokkos.h

+2 −1

Original line number	Diff line number	Diff line
		@@ -33,6 +33,7 @@ class CommKokkos : public CommBrick {
		CommKokkos(class LAMMPS *);
		~CommKokkos();
		void init();
		void setup();

		void forward_comm(int dummy = 0); // forward comm of atom coords
		void reverse_comm(); // reverse comm of atom coords
		@@ -82,7 +83,7 @@ class CommKokkos : public CommBrick {
		void grow_recv_kokkos(int, ExecutionSpace space = Host);
		void grow_list(int, int);
		void grow_swap(int);
		void copy_pbc_info();
		void copy_swap_info();
		};

		}

Admin message