diff --git a/python/lammps.py b/python/lammps.py index 2f4ffb642ef084fbbd1b7567bfc363220288dafc..598e4c506f1bf64d451432305d8c15ae8bd82fdb 100644 --- a/python/lammps.py +++ b/python/lammps.py @@ -173,6 +173,9 @@ class lammps(object): self.lib.lammps_open(narg,cargs,comm_val,byref(self.lmp)) else: + if lammps.has_mpi4py: + from mpi4py import MPI + self.comm = MPI.COMM_WORLD self.opened = 1 if cmdargs: cmdargs.insert(0,"lammps.py") @@ -862,6 +865,10 @@ class PyLammps(object): def run(self, *args, **kwargs): output = self.__getattr__('run')(*args, **kwargs) + + if(lammps.has_mpi4py): + output = self.lmp.comm.bcast(output, root=0) + self.runs += get_thermo_data(output) return output