From 1e16fed9ab94435321f81188abbe001f2320e1b8 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Fri, 25 Aug 2017 15:16:19 -0600 Subject: [PATCH] Error out if using pair hybrid with Kokkos, but not pair hybrid/overlay --- src/pair_hybrid.cpp | 3 +++ src/pair_hybrid.h | 4 ++++ 2 files changed, 7 insertions(+) diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index 4a98cca614..751560deff 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -379,6 +379,9 @@ void PairHybrid::coeff(int narg, char **arg) if (narg < 3) error->all(FLERR,"Incorrect args for pair coefficients"); if (!allocated) allocate(); + if (lmp->kokkos) + error->all(FLERR,"Cannot yet use pair hybrid with Kokkos"); + int ilo,ihi,jlo,jhi; force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi); force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi); diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h index 2364b16f46..463ae00eca 100644 --- a/src/pair_hybrid.h +++ b/src/pair_hybrid.h @@ -90,6 +90,10 @@ class PairHybrid : public Pair { /* ERROR/WARNING messages: +E: Cannot yet use pair hybrid with Kokkos + +This feature is not yet supported. + E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the