Loading python/lammps.py +7 −0 Original line number Diff line number Diff line Loading @@ -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") Loading Loading @@ -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 Loading Loading
python/lammps.py +7 −0 Original line number Diff line number Diff line Loading @@ -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") Loading Loading @@ -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 Loading
