Python locks up on "import openmm" -- halp?

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Victor Putz
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Joined: Tue Jan 30, 2024 9:49 am

Python locks up on "import openmm" -- halp?

Post by Victor Putz » Tue Jan 30, 2024 9:54 am

Got a curious one--openmm freezes on import. In other words, I can create a fresh environment:

```
> micromamba create -n test_openmm
> micromamba activate test_openmm
> micromamba install -c conda-forge openmm=8.1.1
> python
>>> import openmm
```

...and there it stays; I can't even control-c out of it and have to open another terminal and `kill` the python process. The lockup seems to happen on import of the shared library .so, so I can't even seem to import part of the python library.

My system cuda installation is 12.3 with driver 545.29.06, Arch linux, and other cuda packages work well in other virtual environments.

Any suggestions on how to fix this? I'm not even using openmm directly but a collaborator is using it in part of his work which means I can't use lots of our code now because anything that touches his code locks up on import :)

I've tried miniconda as well as micromamba, same result. Not sure how to proceed.
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