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CCC PC ClusterPBS Scripts To submit a job you need to create an execution script in the directory from which you are going to run the job. PBS directives are specified as comments in the script. In particular, all lines beginning with #PBS are PBS directives. After the PBS directives is the body of the script - commands which are executed when the script runs. Here is a sample PBS script. # This is a sample PBS script # Request 200 MB of memory #PBS -l mem=200mb # Request 1 hour 10 minutes of wallclock time (not CPU time!) #PBS -l walltime=1:10:00 # The following is the body of the script. By default, # PBS scripts execute in your home directory, not the # directory from which they were submitted. The following # line places you in the directory from which the job # was submitted cd $PBS_O_WORKDIR # Now we want to run Psi3 which is sourced in your path. psi3For our simple system setup you only must specify the command(s) to run. Hence, the following will do: cd $PBS_O_WORKDIR psi3Please note that you do not have to make the script executable. Also, it is no longer necessary (or desirable) to specify the number of nodes needed in the script. As discussed below, the number and type of nodes are determined by the choice of submission queue. Continue on to How to submit a job. |
