Merge pull request #831 from lammps/mpi4py-version (bad1cdde) · Commits · 郑智淋 / lammps

python/examples/simple.py

+1 −3

Original line number	Diff line number	Diff line
		@@ -88,8 +88,6 @@ lmp.command("run 10");

		# uncomment if running in parallel via Pypar
		#print("Proc %d out of %d procs has" % (me,nprocs), lmp)
		#pypar.finalize()

		# uncomment if running in parallel via mpi4py
		#print "Proc %d out of %d procs has" % (me,nprocs), lmp
		#MPI.Finalize()
		#print("Proc %d out of %d procs has" % (me,nprocs), lmp)

+5 −5

Original line number	Diff line number	Diff line
		@@ -46,17 +46,15 @@ class MPIAbortException(Exception):
		def __str__(self):
		return repr(self.message)


		class lammps(object):

		# detect if Python is using version of mpi4py that can pass a communicator

		has_mpi4py_v2 = False
		has_mpi4py = False
		try:
		from mpi4py import MPI
		from mpi4py import __version__ as mpi4py_version
		if mpi4py_version.split('.')[0] == '2':
		has_mpi4py_v2 = True
		if mpi4py_version.split('.')[0] in ['2','3']: has_mpi4py = True
		except:
		pass

		@@ -111,7 +109,9 @@ class lammps(object):
		# need to adjust for type of MPI communicator object
		# allow for int (like MPICH) or void* (like OpenMPI)

		if lammps.has_mpi4py_v2 and comm != None:
		if comm:
		if not lammps.has_mpi4py:
		raise Exception('Python mpi4py version is not 2 or 3')
		if lammps.MPI._sizeof(lammps.MPI.Comm) == sizeof(c_int):
		MPI_Comm = c_int
		else: