Write SBATCH settings in the runfile itself instead of the submit.sh

TheoChem-VU / TCutility

Utility functions/classes for the TheoCheM programs

https://theochem-vu.github.io/TCutility/

MIT License

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Write SBATCH settings in the runfile itself instead of the submit.sh #242

Open YHordijk opened 6 months ago

YHordijk commented 6 months ago

In some cases it is useful to know the sbatch settings when using test-mode. The problem is that the submit.sh file is not written when test-mode is turned on. It might be nice to have the sbatch settings written inside of the run-script as we usually have in the group.