Dalton/Batch

You can submit a Dalton job (test.dal, test.mol) with the following command

sbatch [Slurm options] --wrap="dalton [Dalton options] test"

Here you need to replace [Dalton options] with Dalton command line options and [Slurm options] with Slurm parameters for the resource requirements of the job. Please find a documentation about the parameters of sbatch on the wiki page about the batch system.