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pyiron / pylammpsmpi

Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
https://pylammpsmpi.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Strange problem #24

Closed srmnitc closed 4 years ago

srmnitc commented 4 years ago

Sorry for the cryptic title, but I seem to have a strange problem. So far, I was the example notebook from the main repo folder, and hence when the subprocess is launched the path of the executable it selects is directly from the repo, for example, like /pylammpsmpi/pylammpsmpi/mpi/lmpmpi.py. In this case, everything works. Now, when I try with the jupyter notebook in a different folder, the executable path now is somethings like .conda/envs/p3/lib/python3.6/site-packages/pylammpsmpi-0.post0.dev84-py3.6.egg/pylammpsmpi/mpi/lmpmpi.py. This is case trying a lmp.version throws EOFError: Ran out of input. I am trying a couple of things to see what exactly the problem is, but for the moment I am stuck.

jan-janssen commented 4 years ago

Are you sure the file is available? lmpmpi? Maybe it is missing because we were missing an init file https://github.com/pyiron/pylammpsmpi/pull/25

srmnitc commented 4 years ago

Great! The init file was the problem. Its fixed now. I can confirm everything works. Thanks a lot!