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按网上说的将软件解压,然后设置环境变量:
# .bashrc
# Source global definitions
if [ -f /etc/bashrc ]; then
. /etc/bashrc
fi
# User specific aliases and functions
#For G09
export g09root=/home/whtu
export GAUSS_SCRDIR=/home/whtu/g09/scratch
source /home/whtu/g09/bsd/g09.profile
提交任务的脚本文件为:
#! /bin/sh -x
#PBS -N test001
#PBS -l nodes=1:ppn=8
#PBS -q Q_IB1
#PBS -j oe
### Modify the Gaussian gjf file name here! ###
GJF="test001.gjf"
####################
export GAUSS_SCRDIR=/tmp
export g09root=/home/whtu
. $g09root/g09/bsd/g09.profile
cd $PBS_O_WORKDIR
JOBNAME=`basename "$GJF" .gjf`
$g09root/g09/g09 < $GJF > "$JOBNAME.log"
用qsub g09.sh命令提交后提示:
qsub: submit error (Unknown queue MSG=requested queue not found)
请问到底是什么原因?怎么解决呢?
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