reactmicp.qsub
005aff7b17eechloride

reactmicp.qsub
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			#! /bin/csh
			# This is an example of a openPBS launch file for reactmicp
			# lines starting with #PBS are options for the qsub command
			# Number of nodes
			# #PBS -l nodes=1:new
			#PBS -q <queue> -l nodes=1:ppn=<nb core>

			# Note : the parallelization of openMP is done with OpenMP.
			# So it can be run only on 1 node (but it allows multiple cores)

			# Name of output files for std output and error;
			# if non specified defaults are <job-name>.o<job number> and <job-name>.e<job-number>
			#PBS -e reactmicp.err
			#PBS -o reactmicp.log

			############################################################
			# data to be modified by the user #
			############################################################
			# if you do not want to define a variable just comment it out
			# by putting a # in front of it
			#
			# set directory where ReactMiCP will be run
			set dir="<directory>"

			###########################################################
			#change the working directory (default is home directory)
			cd $dir

			echo "Running on host `hostname`"
			echo "time is `date`"
			echo "directory is `pwd`"
			echo "This job runs on the following processor:"
			echo "`cat $PBS_NODEFILE`"

			# Run ReactMiCP on the allocated node
			# <command> should be the name of your executable
			/usr/bin/time <command>