CalcJobOutputFollower: Fetch retrieved output file if available #269
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Besides performance reasons, this work better when the remote folder is cleared.
danielhollas
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@csadorf I believe you did this part of the code in case you want to review this. |
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Thanks, @danielhollas. Only a minor request if we want this widget more generic for other calcjob.
| self.filename = calcjob.attributes["output_filename"] | ||
| with calcjob.outputs.retrieved.open(self.filename) as f: |
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I think this is based on the output_filename in the retrieved list, in this case, the aiida.out (or maybe it is the default file to retrieve, can you double check? @danielhollas ). It is okay for the pw.x calculation. But if we want to make this widget more general for example move into widgets-base in the future, it is better to check that the output_filename is in the retrieve list.
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This should be fine for the QE app, we can consider this after we want to make this widget more general by moving it to AWB in the future.
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@danielhollas thanks! Cheers. |
When the CalcJob is finished, we can fetch the output file from the
retrievedfolder instead of always going through theremote_folder. Besides performance reasons, this works better when the remote folder is cleared.Note that I have tested this only in the context of my own AiiDAlab app where I am reusing this code, but I see no reason why it shouldn't work here as well (please test).