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User Guides - An example on how to submit a job onto the queue

A Gaussian job as an example

These are the steps required in order to submit a Gaussian job using Gaussian 03 to the queuing system on Magellan.

Set up your Gaussian input file and save it as job.com. Set %nproc to the number of processors you require (4 processors used in this example).
Set up a jobscript for use with the bsub command. The jobscript should contain the following line:

$CHEM/rung03 < job.com > job.log
Make sure the file jobscript has user execute permission. This can be done by using the following command:

chmod u+x jobscript
order to submit the job to the queuing system, use the bsub command.

bsub -q queue_name -n nproc -o batchout jobscript
where queue_name is the name of the queue. nproc is the number of processors (which must match the number you specified in your %nproc in the job.com file). batchout will give you information on your job relating to the batch queue.

In this example, the following should be used for submitting a job onto the a1 queue:

bsub -q a1 -n 4 -o batchout jobscript
Users are advised to refer to the user guide for more information on how to use the batch system on Magellan:

NSCCS User Guide