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bjwang

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ÎÒ°´ÕÕÂÛ̳ÉÏhttp://muchong.com/bbs/viewthread.php?tid=1566146
°²×°g09£¬¾ßÌåÈçÏ£º
1£©½âѹËõg09_linux.tarµ½/home/wang/ÏÂ
2£©cd g09
3£©./bsd/install    #Ò»ÉÁ¾Í¹ýÁË
4£©ÐÞ¸Ä.bashrcÈçÏÂ

### Gaussian Configuration   ###
export g09root=/home/wang/
export GAUSS_SCRDIR=/home/wang/scr    #Ìáǰ½¨Á¢ÁËscrÎļþ¼Ð
source $g09root/g09/bsd/g09.login                                 
[wang@nano ~]$ source .bashrc
-bash: /home/bjwang//g09/bsd/g09.login: line 25: syntax error near unexpected token `setenv'
-bash: /home/bjwang//g09/bsd/g09.login: line 25: `if (! $?PGI ) setenv PGI /usr/pgi'
³öÏÖ´íÎ󣡣¡£¡£¡£¡£¡

ÎÒÓÖ°ÑÉÏÃæµÄsource $g09root/g09/bsd/g09.login
±äΪsource $g09root/g09/bsd/g09.profile£¬
source .bashrc³É¹¦,
µ«Ö´ÐÐ[wang@nano ~]$ g09
Entering Gaussian System, Link 0=g09

ÎÒÓÖ°´ÍøÉÏÆäËûͬѧµÄÌû×Ó°Ñ.bashrcÐÞ¸ÄΪ
g09root=/home/wang/
GAUSS_SCRDIR=/home/wang/scr
PATH=$PATH:/home/wang
export g09root GAUSS_SCRDIR
source $g09root/g09/bsd/g09.profile

source  .bashrcûÓгö´í£¡
µ«Ö´ÐÐ[wang@nano ~]$ g09   
Entering Gaussian System, Link 0=g09
´íÎóÒÀ¾É
û·´Ó¦ÁË£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡
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[ Last edited by bjwang on 2010-11-11 at 19:24 ]
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It is a shame for the soul to be first to give way in this life,when thy body does not give way.
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bjwang

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

лл¸÷λÐֵܵÄÈÈÇé°ï棬ºÃÏñ¿ÉÒÔÁË£¬Ã»ÓиÄg09.profile & g09.login£»
×ܽáÒ»ÏÂ
ÔÚ.bashrcÖмÓÈ룺
### Gaussian Configuration   ###
export g09root=/home/wang/
export GAUSS_SCRDIR=/home/wang/scr    #Ìáǰ½¨Á¢ÁËscrÎļþ¼Ð
source $g09root/g09/bsd/g09.profile  

source .bashrcºó

Ö´ÐÐ g09 /home/abc/g09/tests/com/test000.com out &
²úÉúout.log
It is a shame for the soul to be first to give way in this life,when thy body does not give way.
8Â¥2010-11-12 13:41:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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lihb734

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Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
heyo_123(½ð±Ò+1):¹ÄÀø½»Á÷£¡£¡ 2010-11-11 20:16:26
[wang@nano ~]$ source .bashrc
-bash: /home/bjwang//g09/bsd/g09.login: line 25: syntax error near unexpected token `setenv'
-bash: /home/bjwang//g09/bsd/g09.login: line 25: `if (! $?PGI ) setenv PGI /usr/pgi'
³öÏÖ´íÎ󣡣¡£¡£¡£¡£¡
g09root=/home/wang/
ɾµô×îºóÒ»¸ö/ÊÔÒ»ÊÔ
ǰ;¹âÃ÷£¬³ö·ÄÑÃÙ£¡
2Â¥2010-11-11 19:24:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

bjwang

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

ллÀÏÐֵĻظ´£¬ÎÒ°ÑÉÏÃæµÄsource $g09root/g09/bsd/g09.login
±äΪsource $g09root/g09/bsd/g09.profile£¬
source .bashrc³É¹¦,
ÎÒ°Ñg09root=/home/wang/ɾµô×îºóÒ»¸ö/»¹ÊÇ¿ÉÒÔsource³É¹¦µÄ£¬µ«Èç¹û²»¸ÄÉÏÃæµÄloginµÄ»°»¹²»ÐС£
µ«Ö´ÐÐ[wang@nano ~]$ g09   
Entering Gaussian System, Link 0=g09
´íÎóÒÀ¾É
û·´Ó¦ÁË£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡

[ Last edited by bjwang on 2010-11-11 at 19:32 ]
It is a shame for the soul to be first to give way in this life,when thy body does not give way.
3Â¥2010-11-11 19:30:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

calfwoo

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Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
µ«Ö´ÐÐ[wang@nano ~]$ g09   
Entering Gaussian System, Link 0=g09

ÕâÑùÓÐÎÊÌâÂð£¿

×öºÃÊäÈëÎļþ£¬Ö±½Ó $g09 input.gjf output.out¾ÍÐÐÁË£®

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