Difference between revisions of "Turbomole/Batch"

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Revision as of 05:44, 26 August 2016

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

bsub [LSF options] "jobex [Turbomole options]"

Here you need to replace [LSF options] with LSF parameters for the resource requirements of the job. Please find a documentation about the parameters of bsub on the wiki page about the batch system