View source for 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 <tt>sbatch</tt>  on the wiki page about the [[Using_the_batch_system|batch system]].