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Fix issue in Kokkos neighborlist

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This commit is contained in:
Stan Moore
2017-07-25 13:08:24 -06:00
parent 8d485ea128
commit 633ca33f2f
2 changed files with 9 additions and 3 deletions
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10
src/KOKKOS/npair_kokkos.cpp
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@ -201,14 +201,20 @@ if (GHOST) {
if (newton_pair) {
NPairKokkosBuildFunctor<DeviceType,TRI?0:HALF_NEIGH,1,TRI> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
#ifdef KOKKOS_HAVE_CUDA
Kokkos::parallel_for(config, f);
if (ExecutionSpaceFromDevice<DeviceType>::space == Device)
Kokkos::parallel_for(config, f);
else
Kokkos::parallel_for(nall, f);
#else
Kokkos::parallel_for(nall, f);
#endif
} else {
NPairKokkosBuildFunctor<DeviceType,HALF_NEIGH,0,0> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
#ifdef KOKKOS_HAVE_CUDA
Kokkos::parallel_for(config, f);
if (ExecutionSpaceFromDevice<DeviceType>::space == Device)
Kokkos::parallel_for(config, f);
else
Kokkos::parallel_for(nall, f);
#else
Kokkos::parallel_for(nall, f);
#endif

2
src/KOKKOS/npair_kokkos.h
View File

@ -409,7 +409,7 @@ struct NPairKokkosBuildFunctor<LMPHostType,HALF_NEIGH,GHOST_NEWTON,TRI> {
c.template build_Item<HALF_NEIGH,GHOST_NEWTON,TRI>(i);
}
void operator() (typename Kokkos::TeamPolicy<LMPHostType>::member_type dev) const {}
void operator() (typename Kokkos::TeamPolicy<LMPHostType>::member_type dev) const {} // Should error out
};
template<class DeviceType,int HALF_NEIGH>