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Change MOLPRO_SCRDIR path from /tmp to /gtmp#43

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calvinp0 wants to merge 1 commit into
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gtmp_molpro
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Change MOLPRO_SCRDIR path from /tmp to /gtmp#43
calvinp0 wants to merge 1 commit into
mainfrom
gtmp_molpro

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@calvinp0

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Copilot AI review requested due to automatic review settings April 27, 2026 14:04

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Pull request overview

Updates the Zeus ARC PBS submit script to use the /gtmp filesystem for Molpro scratch space instead of /tmp, aligning Molpro scratch behavior with other quantum chemistry submit scripts on the same server.

Changes:

  • Change MOLPRO_SCRDIR from /tmp/{un}/scratch/molpro/$PBS_JOBID to /gtmp/{un}/scratch/molpro/$PBS_JOBID in the Zeus Molpro submit script.

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@alongd

alongd commented Jul 3, 2026

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Closing as superseded: main already applies this change — Servers/Zeus/ARC/.arc/submit.py was rewritten in 677c191 and b7207ea, which set MOLPRO_SCRDIR=/gtmp/{un}/scratch/molpro/$PBS_JOBID (plus a scratch-cleanup trap). Rebasing this branch onto main leaves an empty diff, so there is nothing left to merge. Thanks @calvinp0 — the fix itself is live on main.

@alongd alongd closed this Jul 3, 2026
This was referenced Jul 3, 2026
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3 participants