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- Joshua Horton will add thread-pool submission of compute specs internally to QCSubmit
- David Dotson will review Trevor’s local Optimization executor (PR on QCSubmit) for user debugging
- Trevor Gokey will switch to launching one manager per job, similar to Lilac, PRP, on UCI compute resources
- David Dotson will review Pavan’s Genentech dataset submission
- Joshua Horton will point Trevor Gokey to a test/example that pulls out an existing dataset as a Results class, makes a new one with Hessian spec ready for submission
- David Dotson will submit PEPCONF WB37X/6-31G*; coordinate with John on execution and conclusions
- Ben Pritchard will stand up a manager on local VT clusters, use the scavenger queue, add in
openff
compute tag below tags used by MolSSI - Trevor Gokey will address/resolve feedback on STANDARDSv3; prepare for final discussion and adoption on 12/11
- David Dotson will create an issue for task retries at the manager level; make configurable in manager config; assess changes to error cycling given in-manager retries
- David Dotson will create an issue on QCFractal for visualizer candidates as part of QCPortal; assess fortecubeview
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