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Merge pull request #18 from ibaned/pair-table-rx-kokkos-slow

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pass Views by reference for pair_table_rx_kokkos
This commit is contained in:
Stan Moore
2017-03-15 09:47:42 -06:00
committed by GitHub
parent d2cbfef13b f4a08ba4fc
commit bd7f4143e2
2 changed files with 24 additions and 24 deletions
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4
src/KOKKOS/neigh_list_kokkos.h
View File

@ -89,8 +89,8 @@ public:
KOKKOS_INLINE_FUNCTION
static AtomNeighborsConst static_neighbors_const(int i,
typename ArrayTypes<Device>::t_neighbors_2d_const d_neighbors,
typename ArrayTypes<Device>::t_int_1d_const d_numneigh) {
typename ArrayTypes<Device>::t_neighbors_2d_const const& d_neighbors,
typename ArrayTypes<Device>::t_int_1d_const const& d_numneigh) {
return AtomNeighborsConst(&d_neighbors(i,0),d_numneigh(i),
&d_neighbors(i,1)-&d_neighbors(i,0));
}

44
src/KOKKOS/pair_table_rx_kokkos.cpp
View File

@ -193,7 +193,7 @@ KOKKOS_INLINE_FUNCTION
static F_FLOAT
compute_fpair(F_FLOAT rsq,
int itype, int jtype,
typename PairTableRXKokkos<DeviceType>::TableDeviceConst d_table_const
typename PairTableRXKokkos<DeviceType>::TableDeviceConst const& d_table_const
) {
Pair::union_int_float_t rsq_lookup;
double fpair;
@ -228,7 +228,7 @@ static F_FLOAT
compute_evdwl(
F_FLOAT rsq,
int itype, int jtype,
typename PairTableRXKokkos<DeviceType>::TableDeviceConst d_table_const
typename PairTableRXKokkos<DeviceType>::TableDeviceConst const& d_table_const
) {
double evdwl;
Pair::union_int_float_t rsq_lookup;
@ -274,11 +274,11 @@ ev_tally(
Kokkos::View<F_FLOAT*[6],
typename ArrayTypes<DeviceType>::t_virial_array::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_vatom,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > const& v_vatom,
Kokkos::View<E_FLOAT*,
typename ArrayTypes<DeviceType>::t_efloat_1d::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom)
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > const& v_eatom)
{
if (eflag) {
if (eflag_atom) {
@ -374,32 +374,32 @@ static EV_FLOAT
compute_item(
int ii,
int nlocal,
typename ArrayTypes<DeviceType>::t_int_1d_const d_ilist,
typename ArrayTypes<DeviceType>::t_neighbors_2d_const d_neighbors,
typename ArrayTypes<DeviceType>::t_int_1d_const d_numneigh,
typename ArrayTypes<DeviceType>::t_x_array_randomread x,
typename ArrayTypes<DeviceType>::t_int_1d_randomread type,
Kokkos::View<double*, DeviceType> mixWtSite1old,
Kokkos::View<double*, DeviceType> mixWtSite2old,
Kokkos::View<double*, DeviceType> mixWtSite1,
Kokkos::View<double*, DeviceType> mixWtSite2,
Few<int, 4> special_lj,
Few<Few<F_FLOAT, MAX_TYPES_STACKPARAMS+1>, MAX_TYPES_STACKPARAMS+1> m_cutsq,
typename ArrayTypes<DeviceType>::t_ffloat_2d d_cutsq,
typename ArrayTypes<DeviceType>::t_int_1d_const const& d_ilist,
typename ArrayTypes<DeviceType>::t_neighbors_2d_const const& d_neighbors,
typename ArrayTypes<DeviceType>::t_int_1d_const const& d_numneigh,
typename ArrayTypes<DeviceType>::t_x_array_randomread const& x,
typename ArrayTypes<DeviceType>::t_int_1d_randomread const& type,
Kokkos::View<double*, DeviceType> const& mixWtSite1old,
Kokkos::View<double*, DeviceType> const& mixWtSite2old,
Kokkos::View<double*, DeviceType> const& mixWtSite1,
Kokkos::View<double*, DeviceType> const& mixWtSite2,
Few<int, 4> const& special_lj,
Few<Few<F_FLOAT, MAX_TYPES_STACKPARAMS+1>, MAX_TYPES_STACKPARAMS+1> const& m_cutsq,
typename ArrayTypes<DeviceType>::t_ffloat_2d const& d_cutsq,
Kokkos::View<F_FLOAT*[3],
typename ArrayTypes<DeviceType>::t_f_array::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > f,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > const& f,
Kokkos::View<E_FLOAT*,
typename ArrayTypes<DeviceType>::t_efloat_1d::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > uCG,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > const& uCG,
Kokkos::View<E_FLOAT*,
typename ArrayTypes<DeviceType>::t_efloat_1d::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > uCGnew,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > const& uCGnew,
int isite1, int isite2,
typename PairTableRXKokkos<DeviceType>::TableDeviceConst d_table_const,
typename PairTableRXKokkos<DeviceType>::TableDeviceConst const& d_table_const,
int eflag,
int eflag_atom,
int vflag,
@ -408,11 +408,11 @@ compute_item(
Kokkos::View<F_FLOAT*[6],
typename ArrayTypes<DeviceType>::t_virial_array::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_vatom,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > const& v_vatom,
Kokkos::View<E_FLOAT*,
typename ArrayTypes<DeviceType>::t_efloat_1d::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom) {
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > const& v_eatom) {
EV_FLOAT ev;
auto i = d_ilist(ii);
auto xtmp = x(i,0);