Turbomole/Batch

Turbomole jobs need to be submitted through the batch system. For running a calculation, you need to prepare different input files, like a coord file, a basis file and a control file. The preparation of a Turbomole is documented on the corresponding wiki page. A typical submission command could look like

sbatch [Slurm options] --wrap="jobex [Turbomole options]"

Here you need to replace [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.