UCL-ARC / UCL-ARC/rcps-buildscripts
Gaussian 16 C01 with Linda
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- Shell
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Description
See if B01 fixes the Linda problems we have with Gaussian 16 A03, which uses Linda 9.0. (IN:03401209)
Linda jobs were failing with failed to open execfile (which is l302.exel at that point).
File fort.7 is created in the job directory:
NumLck out of range in MDLock.
Error termination via Lnk1e
Happens with the simple water molecule simulation.
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First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Reproduce the simple water molecule simulation with Gaussian 16 A03 and Linda 9.0, checking the reported failed to open execfile, l302.exel, and NumLck out of range in MDLock errors in fort.7. Compare the result with Gaussian 16 C01 using B01 and record whether the Linda failure is resolved.
Written by the indexing model from the issue text.
Assessment
- Domain
- build-system
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100