Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 2325  |  »Ø¸´: 10
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

bjwang

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿°´ÂÛ̳·½·¨°²×°Gaussian09³ö´í ÒÑÓÐ7È˲ÎÓë

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£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡
×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 ]
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¸ß˹¼°Ïà¹ØÈí¼þµÄʹÓÃ

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

It is a shame for the soul to be first to give way in this life,when thy body does not give way.
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lihb734

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

Õ¾ÔÚ¼ÆË㻯ѧÈëÃŵÄÃż÷ÉÏ

ÒýÓûØÌû:
Originally posted by calfwoo at 2010-11-11 21:03:01:


ÕâÑùÓÐÎÊÌâÂð£¿

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

ÄãÖ»ÇÃÈëg09£¬³ÌÐòÔÚµÈÄãÊäÈ룢ÊäÈëÎļþ£¢Äذɣ®

ÒѾ­ÓиßÈËÖ¸µ¼ÄãÁË¡£
ǰ;¹âÃ÷£¬³ö·ÄÑÃÙ£¡
5Â¥2010-11-11 21:47:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 11 ¸ö»Ø´ð

lihb734

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

Õ¾ÔÚ¼ÆË㻯ѧÈëÃŵÄÃż÷ÉÏ

¡ï ¡ï
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

½ð³æ (СÓÐÃûÆø)

¡ï
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£®

ÄãÖ»ÇÃÈëg09£¬³ÌÐòÔÚµÈÄãÊäÈ룢ÊäÈëÎļþ£¢Äذɣ®
4Â¥2010-11-11 21:03:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +24 ŬÁ¦·Ü¶·112 2026-04-08 24/1200 2026-04-14 18:02 by lhj2009
[¿¼ÑÐ] Çóµ÷¼Á +12 Á§ÜÔÒ»¶¨Éϰ¶ 2026-04-10 13/650 2026-04-14 00:08 by Equinoxhua
[¿¼ÑÐ] 332Çóµ÷¼Á +15 ½¶½¶123 2026-04-10 15/750 2026-04-13 23:12 by pies112
[¿¼ÑÐ] Ò»Ö¾Ô¸2110£¬»¯Ñ§Ñ§Ë¶310·Ö£¬±¾¿ÆÖصãË«·ÇÇóµ÷¼Á +20 ŬÁ¦·Ü¶·112 2026-04-08 20/1000 2026-04-13 14:24 by ÕÅzhihao
[¿¼ÑÐ] һ־Ը˫·Ç085400µç×ÓÐÅÏ¢344 Çóµ÷¼Á£¬¶Ô²ÄÁϺͻ¯Ñ§·½ÏòÒ²¸ÐÐËȤ +12 ÎÞÇéµÄСÑò 2026-04-09 13/650 2026-04-13 14:17 by ÕÅzhihao
[¿¼ÑÐ] Ò»Ö¾Ô¸ÏôóÉúÎïѧ332Çóµ÷¼Á +11 ³Ø³Ø³Ø³Ø³Ø³Ø 2026-04-08 11/550 2026-04-13 14:10 by ¿ÆÑÐÂÛ
[¿¼ÑÐ] 296Çóµ÷¼Á +14 Íô£¡£¿£¡ 2026-04-10 16/800 2026-04-12 10:48 by zhouyuwinner
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +16 Ò¶zilin 2026-04-10 16/800 2026-04-11 11:04 by may_ÐÂÓî
[¿¼ÑÐ] 0854µ÷¼Á +4 ³¤¹­°Á 2026-04-09 4/200 2026-04-11 09:18 by Öí»á·É
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«±±´óѧ¿ØÖƹ¤³Ì085406Êý¶þÓ¢¶þ385£¬Çóµ÷¼Á +8 Ezra_Zhang 2026-04-09 8/400 2026-04-11 09:15 by Öí»á·É
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤µ÷¼Á +12 ·ñ¼«Ì©À´2026 2026-04-10 13/650 2026-04-11 00:28 by wangjihu
[¿¼ÑÐ] 368Çóµ÷¼Á +3 17385968172 2026-04-10 3/150 2026-04-10 20:12 by µç×Ӱµ±ë
[¿¼ÑÐ] ¿¼Ñе÷¼Á-²ÄÁÏÀà-284 +28 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 28/1400 2026-04-09 20:08 by µ¹Êý321?
[¿¼ÑÐ] µ÷¼Á +19 2261744733 2026-04-08 19/950 2026-04-09 19:11 by vgtyfty
[¿¼ÑÐ] 332£¬085601Çóµ÷¼Á +12 ydfyh 2026-04-09 14/700 2026-04-09 17:28 by wp06
[¿¼ÑÐ] 348Çóµ÷¼Á +3 candyyyi 2026-04-09 3/150 2026-04-09 17:20 by ¶ÎΰÑÞ
[¿¼ÑÐ] Çó»úеר˶297µÚ¶þÅúµ÷¼Á +5 ʰÆâ12¡£ 2026-04-08 5/250 2026-04-09 16:43 by Ôʵ±ÊʶÈ
[¿¼ÑÐ] 311Çóµ÷¼Á +6 surte 2026-04-08 13/650 2026-04-09 14:00 by surte
[¿¼ÑÐ] 085404£¬334·Ö£¬Çóµ÷¼Á +5 sunjie8888 2026-04-08 8/400 2026-04-09 07:26 by sunjie8888
[¿¼ÑÐ] ÉúÎïѧ328·ÖÇóµ÷¼Á +9 ÉÁµçkkl 2026-04-08 10/500 2026-04-08 21:42 by liuhuiying09
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û