Standard meeting items | Get updates from MolSSI 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 The queue seems to be emptying out, so this would be a good time to submit any low-priority datasets you've been considering. 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.
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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.
D Dotson will lead submission working group tomorrow |