support checking the size of MPI communicators and fail if LAMMPS and mpi4py have a mismatch

2021-02-16 20:22:18 -05:00
parent f929e57261
commit 742eebec2d
2 changed files with 9 additions and 3 deletions
--- a/python/lammps/core.py
+++ b/python/lammps/core.py
@ -325,6 +325,10 @@ class lammps(object):
        else:
          MPI_Comm = c_void_p

+        # Detect whether LAMMPS and mpi4py definitely use different MPI libs
+        if sizeof(MPI_Comm) != self.lib.lammps_config_has_mpi_support():
+          raise Exception('Inconsistent MPI library in LAMMPS and mpi4py')
+
        narg = 0
        cargs = None
        if cmdargs: