Department of Chemical Engineering

Dr Thomas Rodgers

DL_MESO Tutorial One

Step Four: Submitting the job - script.sh

Now that you have described the system, it is time to run the simulation. The script.sh is the file you will submit to CSF in order for your job to run. Create the file:

nano script.sh

It has to contain the following lines (in this case the file must be typed as is including the '#' symbols):

Submit the script:

qsub script.sh

Check if the job is running or if it is in the queue:

qstat

This will appear if the job is pending (state: qw) or if it is running (state: r) and nothing will appear if the job has finished.

job-ID prior   name    user     state submit/start at queue slots
-----------------------------------------------------------------
765721 0.00000 jobname mjkikaz2 qw    05/13/2015 00:39:28   8

If, for some reason, you want to delete the job, type:

qdel job-ID

You should have a selection of output files, HISTORY000000 to HISTORY000007 and OUTPUT.

Back: Defining the simulation parameters

Next: Checking the output files