diff --git a/src/KOKKOS/pair_snap_kokkos_impl.h b/src/KOKKOS/pair_snap_kokkos_impl.h index 65684d58ba..2b49345371 100644 --- a/src/KOKKOS/pair_snap_kokkos_impl.h +++ b/src/KOKKOS/pair_snap_kokkos_impl.h @@ -90,16 +90,15 @@ template void PairSNAPKokkos::init_style() { - // Disabled for DEBUGGING on CPU - // if (host_flag) { - // if (lmp->kokkos->nthreads > 1) - // if (comm->me == 0) - // utils::logmesg(lmp,"Pair style snap/kk currently only runs on a single " - // "CPU thread, even if more threads are requested\n"); + if (host_flag) { + if (lmp->kokkos->nthreads > 1) + if (comm->me == 0) + utils::logmesg(lmp,"Pair style snap/kk currently only runs on a single " + "CPU thread, even if more threads are requested\n"); - // PairSNAP::init_style(); - // return; - // } + PairSNAP::init_style(); + return; + } if (force->newton_pair == 0) error->all(FLERR,"Pair style SNAP requires newton pair on"); @@ -141,13 +140,12 @@ struct FindMaxNumNeighs { template void PairSNAPKokkos::compute(int eflag_in, int vflag_in) { - // Disabled for DEBUGGING on CPU - // if (host_flag) { - // atomKK->sync(Host,X_MASK|TYPE_MASK); - // PairSNAP::compute(eflag_in,vflag_in); - // atomKK->modified(Host,F_MASK); - // return; - // } + if (host_flag) { + atomKK->sync(Host,X_MASK|TYPE_MASK); + PairSNAP::compute(eflag_in,vflag_in); + atomKK->modified(Host,F_MASK); + return; + } eflag = eflag_in; vflag = vflag_in;