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avoid loading mpi4py if the LAMMPS executable has been built without MPI

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Axel Kohlmeyer
2021-02-16 14:38:03 -05:00
parent 286a15c452
commit f929e57261
1 changed files with 13 additions and 12 deletions
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13
python/lammps/core.py
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@ -286,9 +286,10 @@ class lammps(object):
self.lib.lammps_fix_external_set_energy_global = [c_void_p, c_char_p, c_double] self.lib.lammps_fix_external_set_energy_global = [c_void_p, c_char_p, c_double]
self.lib.lammps_fix_external_set_virial_global = [c_void_p, c_char_p, POINTER(c_double)] self.lib.lammps_fix_external_set_virial_global = [c_void_p, c_char_p, POINTER(c_double)]
# detect if Python is using version of mpi4py that can pass a communicator # detect if Python is using a version of mpi4py that can pass communicators
# only needed if LAMMPS has been compiled with MPI support.
self.has_mpi4py = False self.has_mpi4py = False
if self.has_mpi_support:
try: try:
from mpi4py import __version__ as mpi4py_version from mpi4py import __version__ as mpi4py_version
# tested to work with mpi4py versions 2 and 3 # tested to work with mpi4py versions 2 and 3
@ -307,18 +308,18 @@ class lammps(object):
if not ptr: if not ptr:
# with mpi4py v2, can pass MPI communicator to LAMMPS # with mpi4py v2+, we can pass MPI communicators to LAMMPS
# need to adjust for type of MPI communicator object # need to adjust for type of MPI communicator object
# allow for int (like MPICH) or void* (like OpenMPI) # allow for int (like MPICH) or void* (like OpenMPI)
if self.has_mpi4py and self.has_mpi_support: if self.has_mpi_support and self.has_mpi4py:
from mpi4py import MPI from mpi4py import MPI
self.MPI = MPI self.MPI = MPI
if comm: if comm:
if not self.has_mpi4py:
raise Exception('Python mpi4py version is not 2 or 3')
if not self.has_mpi_support: if not self.has_mpi_support:
raise Exception('LAMMPS not compiled with real MPI library') raise Exception('LAMMPS not compiled with real MPI library')
if not self.has_mpi4py:
raise Exception('Python mpi4py version is not 2 or 3')
if self.MPI._sizeof(self.MPI.Comm) == sizeof(c_int): if self.MPI._sizeof(self.MPI.Comm) == sizeof(c_int):
MPI_Comm = c_int MPI_Comm = c_int
else: else: