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dantor321

Ìú³æ (СÓÐÃûÆø)

[ÇóÖú] ¸ßÐÔÄÜÆ½Ì¨pbsÌá½»ÎÊÌ⣬¼±Çó!!!

ÊäÈëqsub ÃüÁîºó
×ÜÊdzöÏÖ¡° script file 'xzd243.pbs' cannot be loaded - No such file or directory¡±£¬ÊÇÔõô»ØÊ£¿ÎÒÃ÷Ã÷ÒѾ­½«PBSÉÏ´«ÁË¡£Çó¸ßÊÖ½â»ó¡£¡£¡£
xiangzhoudan@node65:~/AlC/AlC> ls
AlC.cell    AlC.param   AlC.xsd                     xdz243.pbs
AlC.kptaux  AlC.trjaux  SMCastep_Extension_AlC.xms
xiangzhoudan@node65:~/AlC/AlC> qsub xzd243.pbs
qsub: script file 'xzd243.pbs' cannot be loaded - No such file or directory
Çó¸ßÊÖ½â´ð
PBS½Å±¾ÈçÏÂ
#PBS ©\N AlC
#PBS ©\l nodes=10:ppn=16
#PBS ©\j oe
#PBS ©\l walltime=1000:00:00
#PBS ©\m e
#PBS ©\M 52xiangzhoudan@163.com

### to specify the project name here ,note that there should not have any space
### between the "=" and project name.

project_name=AlC

#prepare env for computing
source /public/home/Mstudio/Accelrys/mstudio.sh

cd $PBS_O_WORKDIR

rm .machine
rm APPFILE
rm $project_name.castep

##to get the needed usp files

uspfiles=`awk '/.usp/{print $2}' *.cell|awk '{gsub(/\r/," ";print}'|awk '!a[$0]++'`
for i in $uspfiles
do
cp ${MS_INSTALL_ROOT}/share/Resources/Quantum/Castep/Potentials/$i ./
done
¸ßÐÔÄÜÆ½Ì¨pbsÌá½»ÎÊÌ⣬¼±Çó!!!
1.JPG
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yanrding

½ð³æ (ÕýʽдÊÖ)

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gmy1990: ½ð±Ò+2 2013-06-22 00:17:52
dantor321: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú, лл£¬ÊÇÎÒÊèºöÁË¡£¡£¡£xiangzhoudan@node65:~/AlC/AlC> ls AlC.cell AlC.param AlC.xsd xdz243.pbs AlC.kptaux AlC.trjaux SMCastep_Extension_AlC.xms xiangzhoudan@node65:~/AlC/AlC> qsub xdz243.pbs qsub: file must be an ascii script 2013-06-22 15:55:12
dantor321: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú, Òѽâ¾öÌá½»³É¹¦ÁË£¬¶àлÈÈÐĻظ´£¬µÚÒ»´ÎÌá½»»¹²»ÊìÁ·£¬ÊÖæ½ÅÂҵģ¬ºÇºÇ 2013-06-22 16:04:36
xiangzhoudan@node65:~/AlC/AlC> ls
AlC.cell    AlC.param   AlC.xsd                     xdz243.pbs
qsub xzd243.pbs

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