pyiron/pysqa

[documentation] Update the documentation to explain the remote setup in more detail

jan-janssen opened this issue · 2 comments

The recent pull requests added a lot of functionality to the remote access, this still needs to be documented. Unfortunately, the remote functionality currently only works in combination with pyiron_base so this also requires some additional generalisation.

Debug the remote submission:

from pysqa.queueadapter import QueueAdapter
qa = QueueAdapter(directory="~/.queues")
qa._adapter._execute_remote_command("python --version”)
>>> Python 3.11.8

Additional commands for debugging:

qa._adapter._execute_remote_command(“squeue”)

If the command is not available but it is accessible on the command line, then this might be an issue with the environment:

qa._adapter._execute_remote_command(“which squeue”)

Compare the remote submitted command to the corresponding shell command:

which squeue

For further debugging you can also print the whole environment:

qa._adapter._execute_remote_command(“env”)