Set `default_mpiprocs_per_machine` on `localhost` computer if it already exists and is not set

sphuber / aiida-shell

AiiDA plugin that makes running shell commands easy.

MIT License

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Set `default_mpiprocs_per_machine` on `localhost` computer if it already exists and is not set #78

Closed sphuber closed 9 months ago

sphuber commented 9 months ago

If the localhost computer was configured before prepare_computer was ever run, it is possible the default_mpiprocs_per_machine property wasn't set. This would result in the ShellJob failing input validation since only num_machines would be defined for the metadata.options.resources.