Kimik's Quads

Hardware:

Processor: Core 2 Quad 2.40 Ghz
RAM:       4 Gb
scratch:   120 Gb

Queue name:

nanYar.quad

Nodes availables:

There are right now 43 nodes available.

Kind of jobs:

By now, please send ONLY Gaussian's jobs.

Ask for:

NPROC=4

'Submit calculations'

At the moment, to submit calculations,according to the information that we have, you should do some things:

• Add %nproc=4 in the Gaussian input file
• Create an script to submit the job

 #!/bin/bash
 #$ -N Test.in
 #$ -cwd
 #$ -masterq kimik133.q
 #$ -pe nanYar.quad 1
 export LINDA_PATH=/usr/local/g03.C02/g03/linda7.1
 
 export g03root=/usr/local/g03.C02
 . $g03root/g03/bsd/g03.profile
 
 export PATH=$PATH:$LINDA_PATH/intel-linux2.4/bin
 export LD_LIBRARY_PATH=/usr/local/g03.C02/g03
 
 export GAUSS_SCRDIR=$TMPDIR
 
 CONF_DIR="/usr/local/scriptConf";
 SCREFERENCE="Test.in";
 SCRIPT="Test.in";
 OUTPUT="Test.out";
 GAUSS_PAR_HEAD="/usr/local/scriptConf/gaussParHead";
 g03 < $SCRIPT > $OUTPUT

Where Test is you input file's name and kimik133.q is the machine where you are submiting your job. In this case, the name of the script is Test.in.sub

To sumbit the job, type

 qsub Test.in.sub

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In the future, for more slots ask for multiple of 4.

If you feel that something its wrong or can be improved please add an entry here or at forums.