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Update submit.py#38

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NellyMitnik wants to merge 1 commit into
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fix_submit_file_ZEUS
Closed

Update submit.py#38
NellyMitnik wants to merge 1 commit into
mainfrom
fix_submit_file_ZEUS

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@NellyMitnik

@NellyMitnik NellyMitnik commented May 1, 2024

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Added cp output.* "$PBS_O_WORKDIR/" to get output.out file in gaussian runs on ZEUS.

Added `cp input.* "$PBS_O_WORKDIR/"` to get output.out file in gaussian runs on ZEUS.
@NellyMitnik NellyMitnik requested a review from alongd May 1, 2024 12:45
@alongd

alongd commented Jul 3, 2026

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Closing as not applicable to the current Zeus script. On Zeus, Gaussian's output name is fixed by the submit script itself — g16 < input.gjf > input.log — so no output.* file is ever produced for the added cp output.* line to match. ARC also reads Gaussian output from input.log (output_filenames['gaussian'] in arc/settings/settings.py), which the script already copies back via cp input.* (the template has since been rewritten on main to run in /gtmp scratch, and it likewise copies input.* and check.chk back).

Note: there IS a real output-name mismatch of this kind on AtlasServers/Atlas/.arc/submit.py redirects g09 to output.out while ARC expects input.log — which may be the issue that motivated this PR. That deserves a fix in the Atlas template rather than an extra copy on Zeus. Thanks @NellyMitnik, and please reopen with details if you hit a concrete missing-output case on Zeus.

@alongd alongd closed this Jul 3, 2026
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