Hi,
I used an input in neb example to do a test, running command is like this:
mpirun -np 3 lmp_mac_mpi -partition 3x1 -in in.neb.sivac.
It is totally fine. Lammps version is (March 2018). I modified it to calculate other material. It is still totally fine.
Then, I use a python code to call lammps, I have already tested Python/Lammps interface according to the manual (12.6) and it is fine. When I use this python code, running command is like this:
mpirun -np 3 python file.py
there is an error: ERROR: Invalid command-line argument (…/lammps.cpp:252)
The important part of python code:
from lammps import lammps
lmp = lammps (name = “mac_mpi”, cmdargs = ["-partition 3x1"])
I also changed it to lmp = lammps (name = “mac_mpi”, cmdargs = ["-partition 1 1 1"]), it does not work.
I checked the manual and mail list. now I still could not find the solution.
I do not know if there is something wrong about lmp = lammps (name = “mac_mpi”, cmdargs = ["-partition 3x1"]).
Someone could help me? Try to solve it for a long time. Thanks
Luke
Department of Mechanical Engineering
University of Central Florida