From 8daad30ae1e64c6465f2abfcf44e653d928b61c7 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Mon, 16 Dec 2024 11:07:47 -0700 Subject: [PATCH] Re-enable Kokkos OpenMP and Serial code paths for SNAP --- src/KOKKOS/pair_snap_kokkos_impl.h | 16 ---------------- 1 file changed, 16 deletions(-) diff --git a/src/KOKKOS/pair_snap_kokkos_impl.h b/src/KOKKOS/pair_snap_kokkos_impl.h index bcece9626a5..2b9b8626455 100644 --- a/src/KOKKOS/pair_snap_kokkos_impl.h +++ b/src/KOKKOS/pair_snap_kokkos_impl.h @@ -82,15 +82,6 @@ PairSNAPKokkos::~PairSNAPKokkos() template void PairSNAPKokkos::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 void PairSNAPKokkos::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;