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Fixing CUDA runtime issues in pair_exp6_rx_kokkos

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This commit is contained in:
Stan Moore
2017-06-08 13:33:23 -06:00
parent 520ab26bd9
commit b4b7310884
2 changed files with 9 additions and 9 deletions
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16
src/KOKKOS/pair_exp6_rx_kokkos.cpp
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@ -426,7 +426,7 @@ KOKKOS_INLINE_FUNCTION
void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxCompute<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int &ii, EV_FLOAT& ev) const {
{
const bool one_type = (atom->ntypes == 1);
const bool one_type = (ntypes == 1);
if (isite1 == isite2)
if (one_type)
this->vectorized_operator<NEIGHFLAG,NEWTON_PAIR,EVFLAG,true, true, true>(ii, ev);
@ -797,7 +797,7 @@ KOKKOS_INLINE_FUNCTION
void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxComputeNoAtomics<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int &ii, EV_FLOAT& ev) const {
{
const bool one_type = (atom->ntypes == 1);
const bool one_type = (ntypes == 1);
if (isite1 == isite2)
if (one_type)
this->vectorized_operator<NEIGHFLAG,NEWTON_PAIR,EVFLAG,true, false, true>(ii, ev);
@ -1653,18 +1653,18 @@ template<class DeviceType>
void PairExp6rxKokkos<DeviceType>::allocate()
{
allocated = 1;
int n = atom->ntypes;
ntypes = atom->ntypes;
memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
memory->create(setflag,ntypes+1,ntypes+1,"pair:setflag");
for (int i = 1; i <= ntypes; i++)
for (int j = i; j <= ntypes; j++)
setflag[i][j] = 0;
memory->create_kokkos(k_cutsq,cutsq,n+1,n+1,"pair:cutsq");
memory->create_kokkos(k_cutsq,cutsq,ntypes+1,ntypes+1,"pair:cutsq");
d_cutsq = k_cutsq.template view<DeviceType>();
k_cutsq.template modify<LMPHostType>();
memory->create(cut,n+1,n+1,"pair:cut_lj");
memory->create(cut,ntypes+1,ntypes+1,"pair:cut_lj");
}

2
src/KOKKOS/pair_exp6_rx_kokkos.h
View File

@ -145,7 +145,7 @@ class PairExp6rxKokkos : public PairExp6rx {
int eflag,vflag;
int nlocal,newton_pair,neighflag;
double special_lj[4];
int num_threads;
int num_threads,ntypes;
typename AT::t_x_array_randomread x;
typename AT::t_f_array f;