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Updated ARC Zeus submit script#42

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alongd merged 3 commits into
mainfrom
arc_zeus_sb
Jul 3, 2026
Merged

Updated ARC Zeus submit script#42
alongd merged 3 commits into
mainfrom
arc_zeus_sb

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@alongd

@alongd alongd commented Apr 27, 2026

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corrected arc_code to arc_path, added n170

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Pull request overview

Updates the Zeus ARC PBS submit script to target the intended queue/host and to use the correct ARC installation path variable from the Zeus environment setup.

Changes:

  • Switch PBS queue to alon_q.
  • Constrain the job to run on host n170.
  • Update ARC invocation from $arc_code to $arc_path.

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python $arc_code/ARC.py input.yml

python $arc_path/ARC.py input.yml

Copilot AI Apr 27, 2026

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submit.sh calls python $arc_path/ARC.py ..., but in Servers/Zeus/.bashrc this repo exports arc_path as '~/Code/ARC/' (tilde inside quotes). Bash does not perform tilde expansion on values coming from variables, so this can resolve to a non-existent path at runtime. Prefer exporting arc_path as an absolute path (e.g., using $HOME), or set/normalize arc_path in this script before invoking Python so the job doesn't fail due to an unexpanded ~.

Suggested change
python $arc_path/ARC.py input.yml
arc_path="${arc_path/#\~/$HOME}"
python "$arc_path/ARC.py" input.yml

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@calvinp0

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@alongd in #43 I made a change in the submit.py for molpro regarding the tmp folder to gtmp. could you include that in your PR instead here?

alongd and others added 3 commits July 3, 2026 10:13
corrected arc_code to arc_path, added n170
'~' inside quotes is not tilde-expanded, so $arc_path/ARC.py resolved to
a literal ~/... path that python cannot open.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
Molpro 2026.1 is installed under /usr/local/molpro26 (group-only);
molpro22/molpro24 remain for the old versions.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
@alongd alongd merged commit e3b1b53 into main Jul 3, 2026
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3 participants