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reactmicp.qsub
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Created
Fri, Jul 12, 13:42
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1 KB
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text/x-shellscript
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Sun, Jul 14, 13:42 (1 d, 23 h)
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18947375
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rSPECMICP SpecMiCP / ReactMiCP
reactmicp.qsub
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#! /bin/csh
# This is an example of a qsub launch file for reactmicp
# lines starting with #PBS are options for the qsub command
# Number of nodes
# #PBS -l nodes=1:new
#PBS -q b64-2.6 -l nodes=1:ppn=8
# 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>"
#! output log file
set err="err_reactmicp"
###########################################################
#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 $PBS_NODEFILE`"
# Run Reactmicp on the allocated node
/usr/bin/time <command> >& /scratch/$err
mv /scratch/$err $dir/.
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