Andrew S. Rosen
Andrew S. Rosen
This suggests that the `COVALENT_CONFIG_DIR` is set to a location that does not support file locking. See #1697.
I will note that @pradeepmantha direct messaged me the following: > I was able to bring up covalent server on the perlmutter compute node successfully after changing the config directory.
Looks like this is the offending line: https://github.com/AgnostiqHQ/covalent/blob/e45bd30d38aa4ee339a1a4b8fd3393a6d21c00d2/covalent/_workflow/qdevice.py#L45 @kessler-frost: Is the `QEDevice.operations` attribute actually used anywhere? I couldn't spot it from a quick search in the codebase, but maybe I...
@kessler-frost: Ah, that explains it! So then in order to resolve this issue, we basically need to swap out the required attributes (if any) and then would need to pin...
@kessler-frost: Makes perfect sense to me! I was admittedly relying blind on the test suite for this since I don't know anything about pennylane. I'll go ahead and close this!...
Thank you so much for the reply! Mainly, this is helpful just to know that I can stop trying to see what I'm doing wrong :) I unfortunately don't know...
Ah, okay thanks for the update. I feel like I did know at one point, but it must have slipped my mind.
@alexamist Whike this doesn't help with the xtb executable, it turns out the spin polarized features are in tblite --- just not the ASE calculator. See https://github.com/tblite/tblite/issues/126.
@awvwgk: Can you confirm if PBCs in `xtb` (the package) should not be used at all, or if it's okay to use if `--tblite` (the flag) is set? I know...