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interactive -c 24 --mem=128G -t 8:00:00 |
If you wish want to work incorporate this workflow into an sbatch jobscriptjob script, you can always invoke this the apptainer/singularity image like in the same way the shortcut does:
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exec /usr/bin/apptainer exec -B /scratch/$USER:/scratch/$USER /packages/apps/simg/gamess_17.09.sif /bin/bash |
On its Upon execution, it would continue execution in will continue to run inside the container, in opening a bash shell , ready for to receive commands:
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Apptainer> |
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