Worked on functionality to extract a subset of database – blocking for development
Perform manager maintenance if needed
BP – Queue is running out
BP – Looked into errors, made some progress. Can share with David. Some jobs that returned “blank” errors will run on my laptop, so this may be a resource limitation thing.
Work on QCF integration into relevant code
No questions
The queue seems to be emptying out, so this would be a good time to submit any low-priority datasets you've been considering
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This is an informal "office hours" for projects integrating QCFractal. Generally, the meeting will follow this structure:
Get updates from MolSSI
Perform manager maintenance if needed
Work on QCF integration into relevant code
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Can resubmit errored jobs
Some datasets proposed by Mobley on qca-dataset-submission could be submitted
DD, TG, and BP will meet tomorrow to look over parked datasets in qca-dataset-submission PRs and figure out if they can be submitted.
JH and D Cerutti will work together on submitting protein fragment datasets
D Dotson will trawl through qca-dataset-submission issues and try resubmitting failures.
Dataset prepping for submission
We discussed submission/dataset prep, Jeff posted collective thoughts on relevant PRs. JH will try to prepare datasets for submission before tomorrow’s submission meeting.