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superfan

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#! /bin/sh

g03root=/cluster3/gaussian
GAUSS_SCRDIR=.

export g03root GAUSS_SCRDIR

#LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/cluster3/gaussian/g03

if [ -z "${LD_LIBRARY_PATH}" ]
then
    LD_LIBRARY_PATH="/cluster3/gaussian/g03"; export LD_LIBRARY_PATH
else
    LD_LIBRARY_PATH="/cluster3/gaussian/g03:${LD_LIBRARY_PATH}"; export LD_LIBRARY_PATH
fi


source $g03root/g03/bsd/g03.profil

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source gauss.sh

[ Last edited by wgpig on 2008-12-15 at 21:56 ]
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# for Gaussian.03.C02
G03ROOT=/home/userid/g03
GAUSS_EXEDIR=$G03ROOT
GAUSS_SCRDIR=/tmp/userid/g03
LD_LIBRARY_PATH=$G03ROOT/:$LD_LIBRARY_PATH
PATH=$G03ROOT/:$PATH
export G03ROOT GAUSS_EXEDIR GAUSS_SCRDIR LD_LIBRARY_PATH PATH
##################################################################
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for i in *.gjf
do
g03 < ${i} > ${i}.log
done
###############

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