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aiidateam / aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO
https://aiida-quantumespresso.readthedocs.io
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Computer node don't have get_name attribute #894

Closed unkcpz closed 1 year ago

sphuber commented 1 year ago

Thanks @unkcpz . Why wasn't this caught by the tests? There must be at least one test for the PhCalculation shouldn't there?

unkcpz commented 1 year ago

This happened when specify different computers for pw.x and ph.x, maybe it is not tested, I'll check and add the test if it is not there.

sphuber commented 1 year ago

This happened when specify different computers for pw.x and ph.x, maybe it is not tested, I'll check and add the test if it is not there.

Ah yeah, true. That will be the reason. Think the check should not use not ... == ... but ... != .... If you can add that change, we can just merge this. No need to add a test

unkcpz commented 1 year ago

Okay, done. Besides the check itself, I think it is not always true to just check the label difference. I have two computers set with a bit different SBATCH and slurm account, the workdir folder is shared and the same, so the parent calculation in principle can be used for PH calculation. But that requires adding another attribute like storage_computer or workdir_computer for the computer node.