Znn3bq.jpeg
²é¿´: 2609  |  »Ø¸´: 8
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

liangzhili

Ìú¸Ëľ³æ (СÓÐÃûÆø)

[ÇóÖú] Error termination via Lnk1e in /usr/local/g09/l101 ¶ÁÈ¡·Ö×Ó˵Ã÷²¿·Ö´íÎó ÒÑÓÐ2È˲ÎÓë

×öÒ»¸ö±È½Ï¸´ÔÓ·´Ó¦µÄQST2 ¼ÆË㣬¼ÆËãºó³öÏÖ´íÎóError termination via Lnk1e in /usr/local/g09/l101.exe £¬²éÁ˸ß˹ÊÖ²á˵l101ÊǶÁÈ¡±êÌâºÍ·Ö×Ó˵Ã÷²¿·Ö¡£µ«ÊDZ¾ÈË¿´²»³öÀ´ÄÄÀïÓÐ´í£¬Íû¸ßÊֵ㲦£¬¸Ð¼¤²»¾¡¡£ÏÖÔÚÌùÉÏinputÎļþºÍoutputÎļþ£¬Çë¸ßÊÖ½â´ð£¬Ð»Ð»¡£BTW£¬ÎҵļÆËã»úÅäÖÃÊÇlinux ϵͳ£¬ 16GÄڴ棬2coreµÄ£¬inputÀïÃæµÄÓ²¼þÅäÖÃÊÇÂú×ãµÄ¡£
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : DGlysineinput.log
  • 2014-05-02 11:11:23, 47.26 K
  • ¸½¼þ 2 : DGlysineinput.gjf
  • 2014-05-02 11:14:36, 3.81 K

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

ŬÁ¦¾ÍÓлú»á£¡
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liangzhili

Ìú¸Ëľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by ǹÏÂÓλê at 2014-05-02 12:13:27
ÊäÈëÎļþ×îºóËÆºõû¿ÕÐÐ

¿ÕÐÐÁ˵쬲Ù×÷»¹ÊÇÕâÑù×ӵ쬲»ÖªµÀΪʲô
ŬÁ¦¾ÍÓлú»á£¡
4Â¥2014-05-02 12:48:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 9 ¸ö»Ø´ð

ǹÏÂÓλê

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÊäÈëÎļþ×îºóËÆºõû¿ÕÐÐ
2Â¥2014-05-02 12:13:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǹÏÂÓλê

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

²»¶Ô²»¶Ô£¬ÎÒ¸Õ²Åû¿´logÎļþ£¬²»ºÃÒâ˼¡£ÎÒÓÃÎÒ×Ô¼ºµÄÅÜÁËһϣ¬µÚÒ»´ÎÅÜÊDZ¨´íscrf=water£¬°ÑwaterÈ¥µôºóÔÙÅÜ£¬±¨´íÌáʾÐèÒªÓÃqst3¡£¿ÉÄÜÄãµÄ½á¹¹ÓÐÎÊÌ⣿
3Â¥2014-05-02 12:25:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liangzhili

Ìú¸Ëľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
3Â¥: Originally posted by ǹÏÂÓλê at 2014-05-02 12:25:53
²»¶Ô²»¶Ô£¬ÎÒ¸Õ²Åû¿´logÎļþ£¬²»ºÃÒâ˼¡£ÎÒÓÃÎÒ×Ô¼ºµÄÅÜÁËһϣ¬µÚÒ»´ÎÅÜÊDZ¨´íscrf=water£¬°ÑwaterÈ¥µôºóÔÙÅÜ£¬±¨´íÌáʾÐèÒªÓÃqst3¡£¿ÉÄÜÄãµÄ½á¹¹ÓÐÎÊÌ⣿

ÎÒ¸Õ²ÅÈ¥µ÷ÔÄÁËϼǼ£¬¸½¼þµÄgjfÊÇ֮ǰûÐ޸ĵ쬲»ºÃÒâ˼£¬Êµ¼ÊÃüÁîÐÐÊÇ
#T RHF/6-31G(d) Opt=(QST2) freq SCRF=(solvent=Water)  Temperature=373.15 Test£¬ÆäËü²»±ä£¬scrf²»»á±¨´íµÄ£¬µ«ÊÇ»¹ÊdzöÏÖError termination via Lnk1e in /usr/local/g09/l101.exe£¬²»ÖªµÀÎҵĽṹÄÄÀïÓÐÎÊÌâ
ŬÁ¦¾ÍÓлú»á£¡
5Â¥2014-05-02 12:59:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0854µ÷¼Á +8 ³¤¹­°Á 2026-04-09 9/450 2026-04-09 14:37 by zhyzzh
[¿¼ÑÐ] »¯Ñ§¹¤³Ìµ÷¼Á289 +36 yangæÃ 2026-04-07 37/1850 2026-04-09 14:10 by zxchoshi
[¿¼ÑÐ] 265Çóµ÷¼Á +4 ·ç˵ËýÔçÍüÁË 2026-04-07 4/200 2026-04-09 13:59 by onlyÖÜ
[¿¼ÑÐ] Çó»úеר˶297µÚ¶þÅúµ÷¼Á +4 ʰÆâ12¡£ 2026-04-08 4/200 2026-04-09 13:17 by upczlm1989
[¿¼ÑÐ] µ÷¼Á +4 osbbx 2026-04-02 4/200 2026-04-08 22:52 by may_ÐÂÓî
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +4 ö©??? 2026-04-08 4/200 2026-04-08 21:44 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 347²ÄÁÏר˶Çóµ÷¼Á +18 zj8215216 2026-04-06 18/900 2026-04-08 16:27 by luoyongfeng
[¿¼ÑÐ] ²ÄÁϹ¤³ÌרҵÈÕÓïÉúÇóµ÷¼Á +9 111623 2026-04-07 9/450 2026-04-07 23:31 by Ò»Ö»ºÃ¹û×Ó?
[¿¼ÑÐ] 306Çóµ÷¼Á +3 15287505595 2026-04-03 3/150 2026-04-07 18:08 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 081700ѧ˶£¬323·Ö£¬Ò»Ö¾Ô¸Öйúº£Ñó´óѧÇóµ÷¼ÁѧУ +19 ÅûÐÇºÓ 2026-04-04 19/950 2026-04-07 15:00 by Éϰ¶¿ì¿ì
[¿¼ÑÐ] µ÷¼Á +4 mcbbc 2026-04-06 5/250 2026-04-07 12:33 by upczlm1989
[¿¼ÑÐ] 285Çóµ÷¼Á +5 mapmath 2026-04-06 6/300 2026-04-06 17:18 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +5 ´Þwj 2026-04-05 5/250 2026-04-06 15:40 by lin-da
[¿¼ÑÐ] Çóµ÷¼Á +10 chenxrlkx 2026-04-05 10/500 2026-04-06 11:31 by Öí»á·É
[¿¼ÑÐ] 332Çóµ÷¼Á +17 ССÃÏ... 2026-04-05 18/900 2026-04-06 09:51 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©086000µ÷¼ÁÒ»Ö¾Ô¸Î÷±±Å©ÁÖ320·Ö +3 ÃÀÃÀŮʿ 2026-04-03 3/150 2026-04-05 21:55 by ѧԱ8dgXkO
[¿¼ÑÐ] 313Çóµ÷¼Á +5 º£ÈÕº£ÈÕ 2026-04-04 5/250 2026-04-05 15:52 by jndximd
[¿¼ÑÐ] 358Çóµ÷¼Á +7 Çïgk 2026-04-04 7/350 2026-04-05 13:29 by huangmoli
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +8 ÏàÐűػá¹ââÍòÕ 2026-04-05 10/500 2026-04-05 12:19 by Hdyxbekcb
[¿¼ÑÐ] 353Çóµ÷¼Á +10 MayUxw1 2026-04-03 10/500 2026-04-05 09:23 by Î޼ʵIJÝÔ­
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û