Wayne State University

AIM HIGHER

Wayne State University

High Performance Computing Services

Running a Converge Job

HOW TO RUN A JOB FOR CONVERGE - SINGLE NODE

Follow these steps to run a Converge job on single node.

Log on to the Grid.

Copy the required contents using the following command

cp -R /wsu/apps/scripts/tutorial/WSU-Case .

The file that has jobscript is jobfile_singlenode_converge.txt . It contains the following script :


#!/bin/bash
#PBS -N Converge
#PBS -q wsuq
#PBS -l select=1:ncpus=4:mem=5GB:net=10e:mpiprocs=4:cpu_type=Intel
#PBS -m ea
#PBS -V

cd ~/WSU-Case
echo "MPD_SECRETWORD=${USER}" > ~/.mpd.conf
chmod 600 ~/.mpd.conf

module load mpich2-1.2.1p1 converge-studio-2.2.0
mpd &
converge-2.2.0-serial-120514 > outputconverge.txt
mpdallexit

Change to the directory that has the jobscript by typing the following command:

cd WSU-Case

To submit the job type:

qsub jobfile_singlenode_converge.txt

Press the Escape key and type :wq to save and quit.

The job is submitted. You can check to see what node it is running on with the following command.

qme

Input: qme of converge

The red boxes show the job ID, the pink one shows the name of the script and the blue one shows the node name on which the job is running.

The job would take approximately 10 to 15 minutes to complete.

The output can be found in the outputconverge.txt .

HOW TO RUN A JOB FOR CONVERGE ON MULTIPLE NODES

Follow these steps to run a Converge job on many nodes.

Log on to the Grid.

Copy the required contents using the following command

cp -R /wsu/apps/scripts/tutorial/WSU-Case .

The file that has jobscript is jobfile_multinode_converge.txt . It contains the following script :

#!/bin/bash
#PBS -N Converge
#PBS -q wsuq
#PBS -l select=2:ncpus=2:mem=5GB:net=10e:mpiprocs=5:cpu_type=Intel
#PBS -m ea
#PBS -V
cd ~/WSU-Case
echo "MPD_SECRETWORD=${USER}" > ~/.mpd.conf
chmod 600 ~/.mpd.conf

module load mpich2-1.2.1p1 converge-studio-2.2.0
mpdboot --rsh=ssh -f ${PBS_NODEFILE} -1 -n ${THREADS} --verbose --ifhn=`hostname -s`.grid.wayne.edu
time mpirun -np ${THREADS} converge-2.2.0-mpich2-120514 super > output_multinode_converge.out

Change to the directory that has the jobscript by typing the following command:

cd WSU-Case

To submit the job type:

qsub jobfile_multinode_converge.txt

Press the Escape key and type :wq to save and quit.

The job is submitted. You can check to see what node it is running on with the following command.

qme

Input: qme of converge

The red boxes show the job ID, the green one shows the name of the script and the blue one shows that the job is waiting in a wsuq queue, and once the requested amount of resources are available the job will start running.

The output can be found in the outputconverge.txt .

Computer Center Services * 5925 Woodward Avenue Detroit, Michigan 48202