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Small tweaks

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This commit is contained in:
Stan Moore
2020-12-22 14:47:41 -07:00
parent bfb85d3cb4
commit d192a77763
4 changed files with 2 additions and 8 deletions
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2
src/KOKKOS/comm_kokkos.h
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@ -30,8 +30,6 @@ class CommKokkos : public CommBrick {
bool reverse_comm_classic; bool reverse_comm_classic;
bool exchange_comm_on_host; bool exchange_comm_on_host;
bool forward_comm_on_host; bool forward_comm_on_host;
bool forward_pair_comm_on_host;
bool forward_fix_comm_on_host;
bool reverse_comm_on_host; bool reverse_comm_on_host;
CommKokkos(class LAMMPS *); CommKokkos(class LAMMPS *);

2
src/KOKKOS/kokkos.cpp
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@ -435,7 +435,7 @@ void KokkosLMP::accelerator(int narg, char **arg)
int nmpi = 0; int nmpi = 0;
MPI_Comm_size(world,&nmpi); MPI_Comm_size(world,&nmpi);
// if "gpu/aware off" and "comm device", change to "comm classic" // if "gpu/aware off" and "comm device", change to "comm no"
if (!gpu_aware_flag && nmpi > 1) { if (!gpu_aware_flag && nmpi > 1) {
if (exchange_comm_classic == 0 && exchange_comm_on_host == 0) { if (exchange_comm_classic == 0 && exchange_comm_on_host == 0) {

4
src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp
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@ -514,8 +514,6 @@ void PairMultiLucyRXKokkos<DeviceType>::computeLocalDensity()
// communicate and sum densities // communicate and sum densities
atomKK->modified(execution_space,DPDRHO_MASK);
if (newton_pair) { if (newton_pair) {
comm->reverse_comm_pair(this); comm->reverse_comm_pair(this);
atomKK->sync(execution_space,DPDRHO_MASK); atomKK->sync(execution_space,DPDRHO_MASK);
@ -667,8 +665,6 @@ void PairMultiLucyRXKokkos<DeviceType>::getMixingWeights(int id, double &mixWtSi
template<class DeviceType> template<class DeviceType>
int PairMultiLucyRXKokkos<DeviceType>::pack_forward_comm_kokkos(int n, DAT::tdual_int_2d k_sendlist, int iswap_in, DAT::tdual_xfloat_1d &buf, int /*pbc_flag*/, int * /*pbc*/) int PairMultiLucyRXKokkos<DeviceType>::pack_forward_comm_kokkos(int n, DAT::tdual_int_2d k_sendlist, int iswap_in, DAT::tdual_xfloat_1d &buf, int /*pbc_flag*/, int * /*pbc*/)
{ {
atomKK->sync(execution_space,DPDRHO_MASK);
d_sendlist = k_sendlist.view<DeviceType>(); d_sendlist = k_sendlist.view<DeviceType>();
iswap = iswap_in; iswap = iswap_in;
v_buf = buf.view<DeviceType>(); v_buf = buf.view<DeviceType>();

2
src/MAKE/MACHINES/Makefile.summit_kokkos
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@ -48,7 +48,7 @@ MY_MPI_PATH = $(dir ${MY_MPI_EXE})
MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I${MY_MPI_PATH}../include MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I${MY_MPI_PATH}../include
MPI_PATH = MPI_PATH =
MPI_LIB = -L${MY_MPI_PATH}../lib -lmpi_ibm -lopen-pal -lopen-rte -lhwloc_ompi -levent_core -levent_pthreads -levent MPI_LIB = -L${MY_MPI_PATH}../lib -lmpi_ibm
# FFT library # FFT library
# see discussion in Section 3.5.2 of manual # see discussion in Section 3.5.2 of manual