Making use of the new CalcJob monitor interface in aiida-core >= 2.2.0

[zhubonan]

New functionality in aiida-core 2.20 allows a CalcJob to be monitored during its life time. We should consider making use of this new interface.

Details:

• aiida-core Documentation
• AEP 008
• aiida-core's Changelog

Potential use cases:

1. Detecting and terminating VASP calculations that are stuck in errors but does not self-terminate. I have seen several such cases, resultsing extreme large STDOUT filled with error messages. (maybe seen in the common-workflows projects?) Behaviour may change in different VASP versions though.
2. Allow graceful termination of VASP calculations through writing the STOPCAR file when the calculation is about to be killed. In this case, we need to decide when to start the termination (perhaps by looking at LOOP+ for ionic relaxation), and what mode of termination to use. The STOPCAR should be retrieved in the later stage for provenance.