2022-01-11 QC meeting notes

User questions

• DD: Worked with BP on fractal manager signal handling. When manager dies suddenly (SIGUP/SIG*) this will clean up properly.
  Pushing Dipeptides 2D scans and SPICE - pubchem, DES370K.
  Re-prioritize action bumps priority consistently for torsiondrives, etc., fixed in future qcf release.
  For a particular PR if you want to errorcycle `python ./management/lifecycle.py --states "Error Cycling" --reset-errors --set-priority --set-computetag --pr …`
  Future QCF release will move error cycling to qca side.

• PB: How to add a new compute spec for local qcf runs?

• DD/JH: Use entries from existing dataset.json and add new compute spec.

• PB: How to route calcs to specific hardware?

• DD: Use compute tags while preparing submissions or post prep. FYI,