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Tweaked SLURM jobscript

Katharina Höflich requested to merge tweak-jobscript into master

This tackles the problem, that SLURM incorrectly assigned the job state COMPLETED for jobs with conda and/or Jupyter commands that did not succeed. This triggered a misleading "JupyterLab has already been shutdown..." message. I have now set the set -e option, so that the FAILED job state is triggered correctly.

I have switched the order of the usage instructions and the specification of the default machine resources, which are also a bit larger now. Other things are mainly cosmetic.

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