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Re-disabled SNAP Kokkos CPU path =(

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This commit is contained in:
Evan Weinberg
2024-11-22 11:28:25 -08:00
parent ce6e0dbe68
commit e7c995abcb
1 changed files with 13 additions and 13 deletions
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26
src/KOKKOS/pair_snap_kokkos_impl.h
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@ -82,14 +82,14 @@ PairSNAPKokkos<DeviceType, real_type, vector_length>::~PairSNAPKokkos()
template<class DeviceType, typename real_type, int vector_length>
void PairSNAPKokkos<DeviceType, real_type, vector_length>::init_style()
{
//if constexpr (host_flag) {
// if (lmp->kokkos->nthreads > 1)
// error->all(FLERR,"Pair style snap/kk can currently only run on a single "
// "CPU thread");
if constexpr (host_flag) {
if (lmp->kokkos->nthreads > 1)
error->all(FLERR,"Pair style snap/kk can currently only run on a single "
"CPU thread");
// PairSNAP::init_style();
// return;
//}
PairSNAP::init_style();
return;
}
if (force->newton_pair == 0)
error->all(FLERR,"Pair style SNAP requires newton pair on");
@ -131,12 +131,12 @@ struct FindMaxNumNeighs {
template<class DeviceType, typename real_type, int vector_length>
void PairSNAPKokkos<DeviceType, real_type, vector_length>::compute(int eflag_in, int vflag_in)
{
//if constexpr (host_flag) {
// atomKK->sync(Host,X_MASK|F_MASK|TYPE_MASK);
// PairSNAP::compute(eflag_in,vflag_in);
// atomKK->modified(Host,F_MASK);
// return;
//}
if constexpr (host_flag) {
atomKK->sync(Host,X_MASK|F_MASK|TYPE_MASK);
PairSNAP::compute(eflag_in,vflag_in);
atomKK->modified(Host,F_MASK);
return;
}
eflag = eflag_in;
vflag = vflag_in;