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Merge pull request #12 from ibaned/pair-table-rx-kokkos

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fix CUDA type issues in pair_table_rx_kokkos
This commit is contained in:
Stan Moore
2017-01-13 14:43:48 -07:00
committed by GitHub
parent 2b2998052c 688df1c254
commit e3153e0b30
2 changed files with 20 additions and 17 deletions
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34
src/KOKKOS/pair_table_rx_kokkos.cpp
View File

@ -272,11 +272,11 @@ ev_tally(
F_FLOAT epair, F_FLOAT fpair,
F_FLOAT delx, F_FLOAT dely, F_FLOAT delz,
Kokkos::View<F_FLOAT*[6],
typename DAT::t_virial_array::array_layout,
typename ArrayTypes<DeviceType>::t_virial_array::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_vatom,
Kokkos::View<E_FLOAT*,
typename DAT::t_efloat_1d::array_layout,
typename ArrayTypes<DeviceType>::t_efloat_1d::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom)
{
@ -390,10 +390,14 @@ compute_item(
typename ArrayTypes<DeviceType>::t_f_array::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > f,
Kokkos::View<E_FLOAT*, typename DAT::t_efloat_1d::array_layout,
DeviceType,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > uCG,
Kokkos::View<E_FLOAT*, typename DAT::t_efloat_1d::array_layout,
DeviceType,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > uCGnew,
Kokkos::View<E_FLOAT*,
typename ArrayTypes<DeviceType>::t_efloat_1d::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > uCG,
Kokkos::View<E_FLOAT*,
typename ArrayTypes<DeviceType>::t_efloat_1d::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > uCGnew,
int isite1, int isite2,
typename PairTableRXKokkos<DeviceType>::TableDeviceConst d_table_const,
int eflag,
@ -402,11 +406,11 @@ compute_item(
int vflag_global,
int vflag_atom,
Kokkos::View<F_FLOAT*[6],
typename DAT::t_virial_array::array_layout,
typename ArrayTypes<DeviceType>::t_virial_array::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_vatom,
Kokkos::View<E_FLOAT*,
typename DAT::t_efloat_1d::array_layout,
typename ArrayTypes<DeviceType>::t_efloat_1d::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom) {
EV_FLOAT ev;
@ -532,9 +536,11 @@ static void compute_all_items(
typename ArrayTypes<DeviceType>::t_f_array::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > f,
Kokkos::View<E_FLOAT*, typename DAT::t_efloat_1d::array_layout,
Kokkos::View<E_FLOAT*,
typename ArrayTypes<DeviceType>::t_efloat_1d::array_layout,
DeviceType,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > uCG,
Kokkos::View<E_FLOAT*, typename DAT::t_efloat_1d::array_layout,
Kokkos::View<E_FLOAT*,
typename ArrayTypes<DeviceType>::t_efloat_1d::array_layout,
DeviceType,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > uCGnew,
int isite1, int isite2,
typename PairTableRXKokkos<DeviceType>::TableDeviceConst d_table_const,
@ -544,11 +550,11 @@ static void compute_all_items(
int vflag_global,
int vflag_atom,
Kokkos::View<F_FLOAT*[6],
typename DAT::t_virial_array::array_layout,
typename ArrayTypes<DeviceType>::t_virial_array::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_vatom,
Kokkos::View<E_FLOAT*,
typename DAT::t_efloat_1d::array_layout,
typename ArrayTypes<DeviceType>::t_efloat_1d::array_layout,
DeviceType,
Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom) {
if (eflag || vflag) {
@ -627,12 +633,12 @@ void PairTableRXKokkos<DeviceType>::compute_style(int eflag_in, int vflag_in)
if (eflag_atom) {
memory->destroy_kokkos(k_eatom,eatom);
memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom");
d_eatom = k_eatom.d_view;
d_eatom = k_eatom.template view<DeviceType>();
}
if (vflag_atom) {
memory->destroy_kokkos(k_vatom,vatom);
memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom");
d_vatom = k_vatom.d_view;
d_vatom = k_vatom.template view<DeviceType>();
}
atomKK->sync(execution_space,datamask_read);

3
src/KOKKOS/pair_table_rx_kokkos.h
View File

@ -30,9 +30,6 @@ namespace LAMMPS_NS {
template<class DeviceType>
class PairTableRXKokkos : public PairTable {
public:
using DAT = ArrayTypes<DeviceType>;
enum {EnabledNeighFlags=FULL|HALFTHREAD|HALF|N2};
typedef DeviceType device_type;