Add custom output if user specify the `output_filename` for ShellJob task

aiidateam / aiida-workgraph

Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.

https://aiida-workgraph.readthedocs.io/en/latest/

MIT License

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Add custom output if user specify the `output_filename` for ShellJob task #128

Open superstar54 opened 5 months ago

superstar54 commented 5 months ago

When user specify metadata={'options': {'output_filename': 'custom_stdout'}}), the stdout will be redirected to custom_stdout.

sphuber commented 4 months ago

Confirmed that this is a bug in aiida-shell: https://github.com/sphuber/aiida-shell/issues/94

GeigerJ2 commented 1 week ago

Looked into this now, @superstar54, but a bit stuck. Maybe we can have a look together this week. I don't fully understand how the metadata entries are being passed through to the Task, or the ShellJob for that matter.