From f598ae7ebfd70e3657286fd9ea4afbe25e8ce11f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 2 Jul 2020 16:40:47 -0400 Subject: [PATCH] update/add error message for using hybrid pair styles with KOKKOS --- src/pair_hybrid.cpp | 2 +- src/pair_hybrid_overlay.cpp | 3 +++ 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index b0def607e4..375ff8cb05 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -434,7 +434,7 @@ void PairHybrid::coeff(int narg, char **arg) if (!allocated) allocate(); if (lmp->kokkos) - error->all(FLERR,"Cannot yet use pair hybrid with Kokkos"); + error->all(FLERR,"Must use pair_style hybrid/kk with Kokkos"); int ilo,ihi,jlo,jhi; force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi); diff --git a/src/pair_hybrid_overlay.cpp b/src/pair_hybrid_overlay.cpp index 4c2acfe8ba..be1ed79de9 100644 --- a/src/pair_hybrid_overlay.cpp +++ b/src/pair_hybrid_overlay.cpp @@ -33,6 +33,9 @@ void PairHybridOverlay::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,"Must use pair_style hybrid/overlay/kk 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);