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daniell251

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[ÇóÖú] ÔÚScientific Linuxϰ²×° Gaussian09

µçÄÔ×°ÁËScientific Linux ³¢ÊÔÒÀÕÕ yjcmwgk °æÖ÷ÔÚGaussianFAQÌṩµÄ·½·¨°²×°Gaussian09 µ«ÎÒ²»Ã÷°×
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mkdir GaussTemp
mkdir Opt
cp g09.tar.gz Opt
cd Opt
tar zxvf g09.tar.gz
cd g09
./bsd/install (¿´Çå³þ£¬²»ÒªÐÞ¸ÄÕâÀïµÄÈκζ«Î÷£©
cd
vi ~/.bashrc
==========Ìí¼ÓÒÔÏµĶ«Î÷======
### Gaussian Configuration   ###
export g09root=/home/tom/Opt/
export GAUSS_SCRDIR=/home/tom/GaussTemp
source $g09root/g09/bsd/g09.login
=====Cut Here================
exit (·´ÕýÊÇÍ˳ö£¬ÖØÐµÇ¼£¡ Linux²»ÐèÒªreboot!)
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g09
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Õâ¶Î²Ù×÷ÖУ¬ÎÒÊäÈëÁË cd »Ø³µ£»È»ºóÊäÈëvi ~/.bashrc »Ø³µºó£¬ÓÐÕâô¼¸ÐÐ×Ö³öÀ´
# .bashrc
# Source global definitions
if [-f /etc/bashrc]; then
. /etc/bashrc
fi
#User specific aliases and functions

ÎÒ²»ÖªµÀÈçºÎ°´ÕÕyjcmwgk Ëù˵µÄÔÚÕâ¸öµØ·½Ìí¼Ó
### Gaussian Configuration   ###
export g09root=/home/tom/Opt/
export GAUSS_SCRDIR=/home/tom/GaussTemp
source $g09root/g09/bsd/g09.login


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yoghurt117

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### Gaussian Configuration   ###
export g09root=/home/tom/Opt/
export GAUSS_SCRDIR=/home/tom/GaussTemp
source $g09root/g09/bsd/g09.login

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ChemiAndy

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daniell251(½ð±Ò+3): ¡ïÓаïÖú 2012-01-18 02:11:16
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Aaron2006

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daniell251

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5Â¥: Originally posted by Aaron2006 at 2012-03-19 23:04:12:
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6Â¥2012-03-21 01:21:36
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xjyuefan

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ÎÒ°²×°Íêºó£¬±à¼­ºÃÁË/.bashrc,ÔËÐÐg09ʱ³ö´íÁË£¬²»ÖªµÀÊÇʲôԭÒò£¿
[yuefan@yuefan g09]$ g09 o2.gjf&
[1] 31675
[yuefan@yuefan g09]$ PGFIO/stdio: No such file or directory
PGFIO-F-/OPEN/unit=11/error code returned by host stdio - 2.
File name = /home/yuefan/g09/SCRATCH/Gau-31675.inp
In source file ml0.f, at line number 181

[1]+  Exit 127                g09 o2.gjf
[yuefan@yuefan g09]$
7Â¥2013-05-29 19:27:40
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