diff --git a/src/USER-OMP/fix_omp.cpp b/src/USER-OMP/fix_omp.cpp index a29451a2b1..f5808a3457 100644 --- a/src/USER-OMP/fix_omp.cpp +++ b/src/USER-OMP/fix_omp.cpp @@ -186,6 +186,12 @@ int FixOMP::setmask() void FixOMP::init() { + // USER-OMP package cannot be used with atom_style template + + if (atom->molecular == 2) + error->all(FLERR,"USER-OMP package does not (yet) work with " + "atom_style template"); + if ((strstr(update->integrate_style,"respa") != NULL) && (strstr(update->integrate_style,"respa/omp") == NULL)) error->all(FLERR,"Need to use respa/omp for r-RESPA with /omp styles");