diff --git a/src/USER-MDI/fix_mdi_engine.cpp b/src/USER-MDI/fix_mdi_engine.cpp index 260701107b..db9e114488 100644 --- a/src/USER-MDI/fix_mdi_engine.cpp +++ b/src/USER-MDI/fix_mdi_engine.cpp @@ -228,9 +228,12 @@ int FixMDIEngine::execute_command(const char *command, MDI_Comm mdicomm) // respond to any driver command if (strcmp(command, ">NATOMS") == 0) { - int mdi_natoms = 0; - ierr = MDI_Recv((char *) &mdi_natoms, 1, MDI_INT, mdicomm); + int64_t mdi_natoms = 0; + ierr = MDI_Recv((char *) &mdi_natoms, 1, MDI_INT64_T, mdicomm); if (ierr != 0) error->all(FLERR, "MDI: Unable to receive number of atoms from driver"); + error->all(FLERR, "MDI: '>NATOMS' driver command not (yet) supported"); + // FIXME: to import the number of atoms, more steps than below are needed for LAMMPS. + // also a check for overflow is needed in case natoms is 32-bit atom->natoms = mdi_natoms; MPI_Bcast(&atom->natoms, 1, MPI_LMP_BIGINT, 0, world);