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ÎÒ°´ÕÕÂÛ̳ÉÏhttp://muchong.com/bbs/viewthread.php?tid=1566146 °²×°g09£¬¾ßÌåÈçÏ£º 1£©½âѹËõg09_linux.tarµ½/home/wang/Ï 2£©cd g09 3£©./bsd/install #Ò»ÉÁ¾Í¹ýÁË 4£©ÐÞ¸Ä.bashrcÈçÏ ### 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£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡ ×îºó˵Ã÷£ºÎÒÊÇͨ¹ýSSH·ÃÎÊCentOS·þÎñÆ÷°²×°g09µÄ¡£ ÄÄλͬѧ°ïæ¿´¿´´íÔÚÄÄÀÐÖµÜÊǸսӴ¥Õâ¿é£¬Ð»Ð»£¡£¡£¡£¡ [ Last edited by bjwang on 2010-11-11 at 19:24 ] |
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bjwang
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8Â¥2010-11-12 13:41:49
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[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 |

2Â¥2010-11-11 19:24:02
bjwang
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- ½ð±Ò: 5860.3
- É¢½ð: 94
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- Ìû×Ó: 792
- ÔÚÏß: 556.3Сʱ
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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 ] |

3Â¥2010-11-11 19:30:42
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