diff --git a/src/REPLICA/fix_pimd_langevin.cpp b/src/REPLICA/fix_pimd_langevin.cpp index 4e530bd97e..271725e238 100644 --- a/src/REPLICA/fix_pimd_langevin.cpp +++ b/src/REPLICA/fix_pimd_langevin.cpp @@ -523,7 +523,10 @@ void FixPIMDLangevin::setup(int vflag) nmpimd_transform(bufbeads, x, M_x2xp[universe->iworld]); } else if (method == PIMD) { inter_replica_comm(x); - spring_force(); + if (cmode == SINGLE_PROC) + spring_force(); + else if (cmode == MULTI_PROC) + error->universe_all(FLERR, "Method pimd only supports a single processor per bead"); } else { error->universe_all( FLERR,