openforcefield / openff-nagl

OpenFF NAGL
https://docs.openforcefield.org/projects/nagl/en/latest/?badge=latest
MIT License
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Mac CI won't execute electric field output #133

Open lilyminium opened 2 months ago

lilyminium commented 2 months ago

The cell where the model fails with the error (PR #131):

=================================== FAILURES ===================================
_ examples/train-gnn-to-electric-field/train-gnn-to-electric-field.ipynb::Cell 13 _
[gw2] darwin -- Python 3.11.9 /Users/runner/micromamba/envs/openff-nagl-test/bin/python
Notebook cell execution failed
Cell 13: Timeout of 5 seconds exceeded waiting for output.

Input:
trainer = pl.Trainer(
    max_epochs=100,
    callbacks=[TQDMProgressBar()], # add progress bar
    accelerator="cpu"
)

trainer.fit(
    training_model,
    datamodule=training_model.create_data_module(verbose=False),
)

Ubuntu executes fine. It also executes fine on my Mac.

lilyminium commented 2 months ago

AFAICT the options here are:

lilyminium commented 1 month ago

Turned off for now. Might be a problem GPU runners can solve.