Standalone programs and scripts

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DIRAC provides several standalone executable codes and scripts which are either useful for us and perhaps also useful for you.

Contents


pamq.py script

Script for submitting DIRAC for a specified queue system.

The current version supports few batch systems, like PBS, LoadLeveler, and Grid Engine.

For example, save PBS as the default batch system, 1 node with 2 CPU's (these are necessary parameters): 

pamq.py --config --qsys=pbs --nodes=1 --pnodes=2

Submit and run DIRAC on 2 nodes in the 'express' queue (for 12 minutes). One assumes that the queue system and number of CPU's per node are saved in the configuration file: 

pamq.py --nodes=2 --time=00:12:00 --queue=express --pam_args="-noarch Mg.mol fsccd_IH.inp"

Only prepare script, do not sumbit 

pamq.py --nosub

For help, type 

pamq.py -h

twofit.x executable

Serves for calculating spectroscopic parameters of diatomic molecules.

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