Running PINSPEC On A Cluster

Running PINSPEC on a Cluster(Torque)

On clusters in which the Torque system is used, the python input file can be run by submitting a .pbs file with the job specifications. an example of this file is provided below. In this file, the walltime for the code can be set as well as the number of nodes and processors per node.

#!/bin/sh
#######################################
# Specify nodes, processors per node
# and maximum running time
#######################################

PBS -l nodes=1:ppn=12
PBS -l walltime=00:10:00

######################################
# Enter directory and set PATH
######################################

-cd $PBS_O_WORKDIR
-PATH=$PBS_O_PATH

######################################
# Run PINSPEC - MAKE YOUR CHANGES HERE
######################################

#PBS -k eo
python infinite_homogeneous.py
python pin_cell.py

The PBS -k eo option allows users to view the job as it is running (depending on how Torque is installed). Below this option is the command to run the input script(s).

Tutorials

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