Difference between revisions of "Turbomole/Batch"

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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 [[Preparing_and_running_a_turbomole_job | wiki page]]. A typical submission command could look like
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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 [[Preparing_and_running_a_turbomole_job | wiki page]]. A typical submission command could look like
  
 
  bsub [LSF options] "jobex [Turbomole options]"
 
  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 [[Using_the_batch_system|batch system]]
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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 <tt>bsub</tt> on the wiki page about the [[Using_the_batch_system|batch system]].

Revision as of 11:14, 29 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.