aiidateam / aiida-sssp-workflow

sssp verification workflows
MIT License
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Caching issue the pwcalculation is clean before phonon_frequencies finished #204

Closed unkcpz closed 1 year ago

unkcpz commented 1 year ago

The pressure workchain (or other) will clean remote folder when the workchain in verifying charge density cutoff (coincidently when the wavefunction cutoff test give the same recommended cutoff) is all finished, but this may happened before phonon frequencies and bands workchain are done, and cause the caching to fail.

unkcpz commented 1 year ago

This is fine, it only happened in some cases and I want the rho cutoff verification don't have caching (It can have, but not save too much if the recommended wavefunction cutoffs are different for properties.) I'd sacrifice this cost to save inodes space.

unkcpz commented 1 year ago

This can be mitigate by put bands/phonon_frequencies workflows before cohesive/pressure/delta.