diff --git a/src/lammps.cpp b/src/lammps.cpp index 4a447f7f..987ec796 100644 --- a/src/lammps.cpp +++ b/src/lammps.cpp @@ -66,13 +66,16 @@ int main(int argc, char* argv[]) { RFI_t RFI; RFI.name = "LAMMPS"; - if (argc < 2) { - printf("Syntax: lammps in.lammps [args]\n"); - MPI_Abort(MPI_COMM_WORLD, 1); - exit(1); + MPMDIntercomm inter = MPMD["TCLB"]; + if (inter) { + ret = RFI.Connect(MPMD.work, inter.work); + if (ret) return ret; + } else { + fprintf(stderr, "Didn't find TCLB in MPMD\n"); } + std::vector lammps_args; - char* infile = NULL; + std::string infile = ""; bool logset = false; for (int i=0; imodify->find_fix("tclb");