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zzy870720z(½ð±Ò+2): лл½²½â£¬ÐÁ¿àÁË 2011-09-28 15:59:13
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9Â¥: Originally posted by daidai~ at 2011-09-24 16:27:15:
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cat > INCAR <<!
SYSTEM = bcc Fe        
ENCUT = $i
ISTART = 0 ; ICHARG = 2
ISMEAR = -5
PREC = Accurate
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11Â¥2011-09-27 16:17:34
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daidai~

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11Â¥: Originally posted by abdoman at 2011-09-27 16:17:34:
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echo "#!/bin/sh -f
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#PBS -l nodes=$1:ppn=4
#PBS -o stdout.inf
#PBS -e stderr.inf
#PBS -q workq              
cd \$PBS_O_WORKDIR
/home/liaoy271/vasp/ENCUT/ENCUT-PBE/optencut.sh& > submit.job

qsub submit.job

# The method of summiting jobs as below
#  rungadget
#  e.g. rungadget C3CN 2

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12Â¥2011-09-28 09:34:03
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abdoman

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zzy870720z(½ð±Ò+2): ллָ½Ì 2011-09-29 14:25:41
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Youcompleteme.
13Â¥2011-09-29 09:30:54
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daidai~

Ìú³æ (СÓÐÃûÆø)

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13Â¥: Originally posted by abdoman at 2011-09-29 09:30:54:
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1.echo "#!/bin/sh -f
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14Â¥2011-09-29 10:04:53
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