...
- Pavan Behara will reschedule QCArchive submission and user group calls for Tuesdays, 8am PT
- David Dotson will work with Ben Pritchard to do burn tests with new QCFractal instance, calculations mimicking production
- Pavan Behara will attempt to reproduce high memory requirements of certain SPICE records, e.g. #257; raise with
psi4devs - David Dotson will keep high-memory nodes up for SPICE and monitor usage; if it looks like we are past calculations with high requirements, will re-deploy many smaller workers
- David Dotson will deploy workers with priority for new dipeptide submission
- David Dotson will push remaining pubchem set submissions through local infrastructure
- Simon Boothroyd will prepare HF-6-31G* set on Lilac, prepare single point dataset from final conformers; may need to be multiple datasets at 200,000 calculations
...