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Documentation: Additional details needed for custom_attributes #398
Description
It took me quite some time to ultimately figure out how to set the custom_attributes kwarg in JobAttributes. I think it warrants a brief section in the docs and a clearer docstring.
Basically, as it currently stands, I had assumed I could do custom_attributes={"constraints": "cpu"} but was puzzled when it didn't appear in the Slurm job script. Only through diving through the test suite was I able to figure out that I needed to do custom_attributes={"slurm.constraints": "cpu"} instead.
I am happy to add this, but it may take me a few days to get around to it.
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RedStar-Iron commentedon Mar 5, 2024
@Andrew-S-Rosen It also makes me confused a lot when I check this setting in the quacc. I tried to submit the vasp/emt jobs from my local env (wsl) to the Expanse, but always failed, without error file left in ~/.psij . I was wondering whether it can read the setting of job script from a Json or YAML file directly which has been implemented by dpdispatcher.
Andrew-S-Rosen commentedon Mar 5, 2024
@RedStar-Iron --- let's keep this issue report for
psijspecific content. Happy to chat about quacc-related things on the dedicated repo. Let's move the conversation to here: Quantum-Accelerators/quacc#1837.psij-python is a Python API meant to interface with various job schedulers and, potentially in the (more distant) future, support remote job submission and the pilot job model. It is not meant to read settings from job scripts generated elsewhere.
Note: The
~/.psijdirectory is on the remote machine, not your local one.RedStar-Iron commentedon Mar 5, 2024
@Andrew-S-Rosen Thanks for you immidiate reply! But I didn't find
~/.psijon my remote machine.hategan commentedon Mar 5, 2024
There is indeed no proper documentation on this issue. We'll get that fixed.
jan-engelmann commentedon Jul 2, 2025
yes additional documentation for this would be really helpful!