Fix issue with comm squash (85a14ebc) · Commits · 郑智淋 / lammps

src/KOKKOS/atom_vec_kokkos.cpp

+2 −1

Changes for src/KOKKOS/atom_vec_kokkos.cpp: 2 added lines, 1 removed line.
Original line number	Diff line number	Diff line
		@@ -307,10 +307,11 @@ struct AtomVecKokkos_PackCommSelfSquash {
		int iswap = 0;
		while (ii >= _sendnum_scan[iswap]) iswap++;
		int i = ii;
		if (iswap > 1)
		if (iswap > 0)
		i = ii - _sendnum_scan[iswap-1];
		const int _nfirst = _firstrecv[iswap];


		const int j = _list(iswap,i);
		if (_pbc_flag(iswap) == 0) {
		_xw(i+_nfirst,0) = _x(j,0);

+8 −5

Changes for src/KOKKOS/comm_kokkos.cpp: 8 added lines, 5 removed lines.
Original line number	Diff line number	Diff line
		@@ -187,6 +187,13 @@ void CommKokkos::forward_comm_device(int dummy)
		k_sendlist.sync<DeviceType>();
		atomKK->sync(ExecutionSpaceFromDevice<DeviceType>::space,X_MASK);

		int comm_squash = 1;
		if (comm_squash) {
		n = avec->pack_comm_self_squash(totalsend,k_sendlist,k_sendnum_scan,
		k_firstrecv,k_pbc_flag,k_pbc);
		DeviceType::fence();
		} else {

		for (int iswap = 0; iswap < nswap; iswap++) {
		if (sendproc[iswap] != me) {
		if (comm_x_only) {
		@@ -242,15 +249,10 @@ void CommKokkos::forward_comm_device(int dummy)
		}
		} else {
		if (!ghost_velocity) {
		if (1) {
		n = avec->pack_comm_self_squash(totalsend,k_sendlist,k_sendnum_scan,
		k_firstrecv,k_pbc_flag,k_pbc);
		} else {
		if (sendnum[iswap])
		n = avec->pack_comm_self(sendnum[iswap],k_sendlist,iswap,
		firstrecv[iswap],pbc_flag[iswap],pbc[iswap]);
		DeviceType::fence();
		}
		} else {
		n = avec->pack_comm_vel_kokkos(sendnum[iswap],k_sendlist,iswap,
		k_buf_send,pbc_flag[iswap],pbc[iswap]);
		@@ -261,6 +263,7 @@ void CommKokkos::forward_comm_device(int dummy)
		}
		}
		}
		}

		/* ----------------------------------------------------------------------
		reverse communication of forces on atoms every timestep