LAMMPS python version

Hello everyone,

I want to do a replica exchange method by the LAMMPS python version while I use an external program that is running LAMMPS through its library interface!

I get this type of errors: lmp.py: error: unrecognized arguments: -partition 8x2 in.in.lammps

Can you please help me to solve this problem?
Thanks in advance.

What is the name of your input and the name of the flag to use with the input?

This is the command line:

mpirun -np $NPROCS python -m theforce.cl.lmp -partition $PROC -in in.lammps

and this is the error:

lmp.py: error: unrecognized arguments: -partition 8x2 in.lammps

Well, my intention was that you compare the two and thus recognize what the error is yourself.
It is very obvious.

Dear Axel,

I changed the command line to this:

mpirun -np $NPROCS python -m theforce.cl.lmp -p $PROC -l log/log.lammps -pscreen none -i in.lammps

this is the error: lmp.py: error: unrecognized arguments: -partition 8x2 -l log/log.lammps -pscreen none

Sorry but I could not realize what my bad is!

Have you tested whether all your command line flags are properly passed on to your python code?
The error is obviously in your python programming and not a LAMMPS issue. Please also note that the flag ā€˜-iā€™ is a flag that is recognized by the python executable itself.