Re-enable Kokkos OpenMP and Serial code paths for SNAP

alphataubio · Dec 16, 2024 · 8daad30 · 8daad30
1 parent e3b991c
commit 8daad30
Showing 1 changed file with 0 additions and 16 deletions.
diff --git a/src/KOKKOS/pair_snap_kokkos_impl.h b/src/KOKKOS/pair_snap_kokkos_impl.h
@@ -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;