aiidalab / aiidalab-qe

AiiDAlab App for Quantum ESPRESSO
https://aiidalab-qe.readthedocs.io/
MIT License
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Walltime doesnt apply to plugin (vibroscopy) #754

Closed AndresOrtegaGuerrero closed 5 days ago

AndresOrtegaGuerrero commented 3 months ago

When using the definition of the walltime for the plugin (vibroscopy) it doesnt work , i am not sure if it is the case for the other plugins.

AndresOrtegaGuerrero commented 3 months ago

@mikibonacci I fixed for the vibroscopy (https://github.com/mikibonacci/aiidalab-qe-vibroscopy/pull/71), I dont know about the other external plugins

superstar54 commented 1 month ago

If a plugin developer uses set_component_resources function, then the max_wallclock_seconds will work.

AndresOrtegaGuerrero commented 1 month ago

We need to modify the workchain in the plugin to use set_component_resources , we need to adapt it to ignore the parallelization (it create will crash in the dielectric part) . @mikibonacci and I will work on defining specific resources for the phonons and for dielectric workflows , adapt it to set_component_resources from aiidalab_qe and do a new release.