Andrew S. Rosen

Turning the one failing test to skip since it's an upstream ASE issue and I need to support ASE 3.24.0 more broadly.

> For the first point, it seems that it does not work correctly currently as the environment variable is retrieved in settings.py which is probably done before the job is...

> I think it might be a little bit more complicated than that. Because Parsl needs to be able to handle cases where different apps have different resources, so it...

Thank you for the report, @zulissimeta! This looks like a new bug due to the release of atomate2 0.0.15. We aren't testing it on CI yet because of a dependency...

Fixed by @chiang-yuan in #2463!

This is certainly doable. That said, I would propose that this behavior is toggleable via the global settings, such as `SETTINGS.STORE_FAILED_JOBS: bool = False`. There are two reasons for this:...

@zulissimeta: Happy to accept something along these lines. First, a quick question though: is it unavoidable that the .nfs files will be present? For instance, [this comment](https://stackoverflow.com/a/58943527) suggests that I/O...

> > @zulissimeta: Happy to accept something along these lines. First, a quick question though: is it unavoidable that the .nfs files will be present? For instance, [this comment](https://stackoverflow.com/a/58943527) suggests...

@zulissimeta: Out of curiosity, are you running ASE relaxations? I think there might be a problem with the trajectory not closing properly. I have vague recollections of this...

The entire test suite runs to completion if the following small change is made: changing `@job` to `@task` on line 49 below. https://github.com/Quantum-Accelerators/quacc/blob/56a923af49ca3c4f0ae3e20672de41c3e383c9ff/src/quacc/__init__.py#L44-L56 In other words, it works perfectly fine...