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Pretty much across the board, Custodian assumes that everything is being done in the local working directory. Oftentimes, this is fine because the user will typically have the calculation run in an isolated location. However, if trying to run calculations in a multi-threaded mode (or any mode where you run multiple calculations per Python process), this can get messy really quickly because you can't call os.chdir in such scenarios.
Ideally, the various handlers should take an optional directory: str | Path = "." keyword argument, which is then used for all I/O and in the subprocess call to the executable.
Proposed Solution
Lots of manual insertion of directory before filenames and in subprocess.
Alternatives
No response
The text was updated successfully, but these errors were encountered:
I'm reverting this change for now until we sort out
materialsproject/custodian#316 upstream.
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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Problem
Pretty much across the board, Custodian assumes that everything is being done in the local working directory. Oftentimes, this is fine because the user will typically have the calculation run in an isolated location. However, if trying to run calculations in a multi-threaded mode (or any mode where you run multiple calculations per Python process), this can get messy really quickly because you can't call
os.chdir
in such scenarios.Ideally, the various handlers should take an optional
directory: str | Path = "."
keyword argument, which is then used for all I/O and in the subprocess call to the executable.Proposed Solution
Lots of manual insertion of
directory
before filenames and insubprocess
.Alternatives
No response
The text was updated successfully, but these errors were encountered: