Some ideas for your Bash submission scripts

I’ve been playing around with some design options for PBS submission scripts that may help people doing cluster work.  Some things to look for in the source code:

  • You can use a list in bash that contains multiple text entries, and then access those text entries to create strings for your submissions.  Note that you can actually display the text first (see the ‘echo ${PBS}’) before you do anything; that way you aren’t requesting thousands of jobs that have a typo in them!
  • Using “read” allows the bash programmer to interact with the user.  Well, in reality you are usually both the programmer and the user.  But lots of times, I want to write a script and try it out first, before I submit hundreds of hours of time on the cluster.  The flags below can help with that process.
  • I added commands to compile the source code before actually submitting the jobs.  Plus, by using flags and pauses intelligently, you can bail out of the script if there’s a problem with compilation.
#!/bin/bash
NODES=32
WALLHOURS=5

PROBLEMS=("ProblemA" "ProblemB")
NSEEDS=10
SEEDS=$(seq 1 ${NSEEDS}) #note there are multiple ways to declare lists and sequences in bash

NFES=1000000
echo "NFEs is ${NFES}" #echo statements can improve usability of the script, especially if you're modifying it a lot for various trials

ASSUMEPERMISSIONFLAG=No #This is for pausing the submission script later

echo "Compile? Y or N."

read COMPILEFLAG
if [ "$COMPILEFLAG" = "Y" ]; then
    echo "Cleaning.."
    make clean -f MakefileParallel
    echo "Compiling.."
    make -f MakefileParallel
else
        echo "Not compiling."
fi

for PROBINDEX in ${!PROBLEMS[*]}
do
    PROBLEM=${PROBLEMS[$PROBINDEX]} #note the syntax to pull a list member out here
    echo "Problem is ${PROBLEM}"

    for SEED in ${SEEDS}
    do
        NAME=${PROBLEM}_${SEED} #Bash is really nice for manipulating strings like this
        echo "Submitting: ${NAME}"

        #Here is the actual PBS command, with bash variables used in place of different experimental parameters.  Note the use of getopt-style command line parsing to pass different arguments into the myProgram executable.  This implementation is also designed for parallel processing, but it can also be used for serial jobs too.

        PBS="#PBS -l nodes=32\n\
        #PBS -N ${NAME}\n\
        #PBS -l walltime=05:00:00\n\
        #PBS -j oe\n\
        #PBS -o ${NAME}.out\n\
        cd \$PBS_O_WORKDIR\n\
        module load openmpi/intel\n\
        mpirun ./myProgram -b ${PROBLEM} -c combined -f ${NFES} -s ${SEED}"

        #The first echo shows the user what is about to be passed to PBS.  The second echo then pipes it to the command qsub, and actually submits the job.

        echo ${PBS}

        if [ "$ASSUMEPERMISSIONFLAG" = "No" ]; then

            echo "Continue submitting? Y or N."

            read SUBMITFLAG

            #Here, the code is designed to just keep going after the user says Y once.  You can redesign this for your own purposes.  Also note that this code is fairly brittle in that the user MUST say Y, not y or yes.  You can build that functionality into the if statements if you'd like it.

            if [ "$SUBMITFLAG" = "Y" ]; then
                 ASSUMEPERMISSIONFLAG=Yes #this way, the user won't be asked again
                 echo -e ${PBS} | qsub
                 sleep 0.5
                 echo "done."
            fi
        else
            echo -e ${PBS} | qsub
            sleep 0.5
            echo "done."
         fi
    done
done

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5 thoughts on “Some ideas for your Bash submission scripts

  1. When I first published this, I forgot cd $PBS_O_WORKDIR, an important command that lets the computing node know where all your files and data are! If you get a “Can’t Find Executable” error, that’s why…

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