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ORCA Duplicate with Final Orbitals: warn when the copy runs under a different ORCA major version

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#404 0 comments 0 reactions 0 assignees View on GitHub

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Assessment

Difficulty
4/5
Estimated time
3-5 days
Newbie friendliness
48/100
Issue type
Bug
Clarity
Mostly clear
Activity status
Active
Tech stack
c
Domain
backend

Research direction

Start by tracing how guess.gbw is staged and how duplicate jobs determine the source and target ORCA versions; the issue names no files or tests. Check the existing localhost test, then identify how to exercise the remote run path. Done means a warning appears when the ORCA major versions differ, with coverage for the remote path.

Written by the indexing model from the issue text.

Description

enhancement

guess.gbwin is staged as an input file, so it reaches a remote run directory. A .gbw from one ORCA major version may not be readable by another; ECCE does not compare the source job's ORCA version with the target machine's. Also: the remote path has not been tested (the test launches on localhost).

Dominant language
C
Stars
10
Forks
8
Avg merge
21m
Merged PRs (30d)
1

Getting set up

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First steps

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