Commit e422e886 authored by Stan Moore's avatar Stan Moore
Browse files

Add error check for team on and full neighborlist

parent 069853fd
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+3 −0
Changes for src/KOKKOS/kokkos.cpp: 3 added lines, 0 removed lines.
Original line number Diff line number Diff line
@@ -344,6 +344,9 @@ void KokkosLMP::accelerator(int narg, char **arg)

  force->newton = force->newton_pair = force->newton_bond = newtonflag;

  if (team_flag && neighflag != FULL)
    error->all(FLERR,"Must use KOKKOS package option 'neigh full' with 'team on'");

  neighbor->binsize_user = binsize;
  if (binsize <= 0.0) neighbor->binsizeflag = 0;
  else neighbor->binsizeflag = 1;
+4 −0
Changes for src/KOKKOS/kokkos.h: 4 added lines, 0 removed lines.
Original line number Diff line number Diff line
@@ -86,4 +86,8 @@ U: Must use Kokkos half/thread or full neighbor list with threads or GPUs

Using Kokkos half-neighbor lists with threading is not allowed.

E: Must use KOKKOS package option 'neigh full' with 'team on'

The 'team on' option requires a full neighbor list

*/