Merge pull request #1070 from rbberger/pylammps_mpi_bugfix (25bc74eb) · Commits · 郑智淋 / lammps

python/lammps.py

+7 −0

Original line number	Diff line number	Diff line
		@@ -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