ReactionMechanismGenerator / ReactionMechanismGenerator/ARC
Restart job: automatically run freq before composite is finished.
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 51
- Forks
- 25
- Avg merge
- 4d 5h
- Merged PRs (30d)
- 15
Description
Describe the bug
I found that, when restarting a job, ARC will run freq jobs for unfinished sp jobs or composite jobs. An example is shown below:
How to reproduce
Run any species with the default settings. Stopped the project, when the composite job is submitted. Restart the project.
Expected behavior
Freq jobs are launched after composite jobs, right?
Contributor guide
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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 restart scenario by stopping a project while a composite job is submitted, then restarting it with default settings. Trace the restart job scheduling and verify that unfinished species or composite jobs complete before any freq jobs are launched.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- backend
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100