aiidalab / aiidalab/aiidalab-qe
Wrap all processes into one job before submitting to the HPC
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enhancement
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Beschreibung
Feedback from a user:
The geometry optimization, and properties calculations all are separate jobs. This leads to a long waiting time between each stage in the HPC's queue.
It would be great if we provide an option, that could wrap them all into one job before submitting them to the HPC so there is no wait time between the execution of different stages of the same system.
**Describe the solution you'd like**
@mbercx Is it possible to use your magic tools to wrap jobs for QEapp?
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