lab-cosmo / metatrain

Training and evaluating machine learning models for atomistic systems.
https://lab-cosmo.github.io/metatrain/
BSD 3-Clause "New" or "Revised" License
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No matching device #261

Closed PicoCentauri closed 3 weeks ago

PicoCentauri commented 3 weeks ago

Fixes #258

If no matching devices is found a proper error message is raised. Based in the input file given by @Luthaf the following error will be raised:

[2024-06-13 16:46:34][INFO] - This log is also available at '/Users/philiploche/repos/lab-cosmo/metatrain/tmp/outputs/2024-06-13/16-46-34/train.log'.
[2024-06-13 16:46:35][ERROR] - If the error message below is unclear, please help us improve it by opening an issue at https://github.com/lab-cosmo/metatrain/issues. When opening the issue, please include the full traceback log from '/Users/philiploche/repos/lab-cosmo/metatrain/tmp/outputs/2024-06-13/16-46-34/error.log'. Thank you!

ValueError raised while resolving interpolation: No matching device found! The architecture requires cuda; but your system only has cpu, mps.
    full_key: device
    object_type=dict

After a quick chat with @spozdn, I also enabled CPU for PET. Question is if should issue a warning. I am not sure about this. I think you will notice if one epoch takes a day...

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📚 Documentation preview 📚: https://metatrain--261.org.readthedocs.build/en/261/

PicoCentauri commented 3 weeks ago

I can do both.