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Re-enable Kokkos OpenMP and Serial code paths for SNAP

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This commit is contained in:
Stan Moore
2024-12-16 11:07:47 -07:00
parent e3b991c27a
commit 8daad30ae1
1 changed files with 0 additions and 16 deletions
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16
src/KOKKOS/pair_snap_kokkos_impl.h
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@ -82,15 +82,6 @@ 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");
PairSNAP::init_style();
return;
}
if (force->newton_pair == 0)
error->all(FLERR,"Pair style SNAP requires newton pair on");
@ -131,13 +122,6 @@ 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;
}
eflag = eflag_in;
vflag = vflag_in;