Unknown segfault

[haydn-jones]

When using guacamol with PytorchLightning==1.6.5 and PyTorch==1.12.0 I get a mysterious segfault when running the following code:

import pytorch_lightning as pl
from guacamol import standard_benchmarks as sb
sb.valsartan_smarts()

However, when using PyTorch==1.11.0 this segfault does not occur. Unclear what is causing this issue.

For reproducibility I've attached the exports of my Conda environments for both the working configuration and the broken configuration. broken.yml is the environment that will segfault while working.yml is the environment that works. Environments.zip