²é¿´: 2555  |  »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:
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
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:
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
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 304Çóµ÷¼Á +8 СÐÜjoy 2026-03-14 8/400 2026-03-17 17:29 by ruiyingmiao
[¿¼ÑÐ] 344Çóµ÷¼Á +4 knight344 2026-03-16 4/200 2026-03-17 17:27 by ruiyingmiao
[˶²©¼ÒÔ°] ºþ±±¹¤Òµ´óѧ ÉúÃü¿ÆÑ§Ó뽡¿µÑ§Ôº-¿ÎÌâ×éÕÐÊÕ2026¼¶Ê³Æ·/ÉúÎï·½Ïò˶ʿ +3 1ϲ´º8 2026-03-17 5/250 2026-03-17 17:18 by ber´¨cool×Ó
[¿¼ÑÐ] 302Çóµ÷¼Á +9 ¸ºÐÄÕßµ±Öï 2026-03-11 9/450 2026-03-17 17:13 by ruiyingmiao
[¿¼ÑÐ] 312Çóµ÷¼Á +4 İå·Ï£ 2026-03-16 5/250 2026-03-17 17:09 by ruiyingmiao
[¿¼ÑÐ] 268Çóµ÷¼Á +6 ºÃÔËÁ¬Ã಻¾ø 2026-03-12 7/350 2026-03-17 14:56 by ßÏßÏÓÇÓô
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 ä¿ya_~ 2026-03-17 5/250 2026-03-17 09:25 by Winj1e
[¿¼ÑÐ] 267Ò»Ö¾Ô¸ÄϾ©¹¤Òµ´óѧ0817»¯¹¤Çóµ÷¼Á +6 SUICHILD 2026-03-12 6/300 2026-03-17 09:24 by ÎíÉ¢ºóÏàÓölc
[¿¼ÑÐ] »úеר˶325£¬Ñ°ÕÒµ÷¼ÁԺУ +3 y9999 2026-03-15 5/250 2026-03-16 19:58 by y9999
[¿¼ÑÐ] 0703Ò»Ö¾Ô¸211 285·ÖÇóµ÷¼Á +5 ly3471z 2026-03-13 5/250 2026-03-16 16:16 by ŶŶ123
[¿¼ÑÐ] 070303 ×Ü·Ö349Çóµ÷¼Á +3 LJY9966 2026-03-15 5/250 2026-03-16 14:24 by xwxstudy
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 085601²ÄÁϹ¤³Ì315·ÖÇóµ÷¼Á +3 yang_0104 2026-03-15 3/150 2026-03-15 10:58 by peike
[¿¼ÑÐ] ²ÄÁϹ¤³Ì327Çóµ÷¼Á +3 xiaohe12w 2026-03-11 3/150 2026-03-14 20:20 by ms629
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +4 z1z2z3879 2026-03-14 5/250 2026-03-14 16:30 by JourneyLucky
[¿¼ÑÐ] 328Çóµ÷¼Á +3 5201314Lsy£¡ 2026-03-13 6/300 2026-03-14 15:31 by hyswxzs
[¿¼ÑÐ] ²ÄÁÏ080500µ÷¼ÁÇóÊÕÁô +3 Ò»¿Åmeteor 2026-03-13 3/150 2026-03-14 10:54 by peike
[¿¼ÑÐ] 0703£¬333·ÖÇóµ÷¼Á Ò»Ö¾Ô¸Ö£ÖÝ´óѧ-ÎïÀí»¯Ñ§ +3 Àîħٶ·Åñ 2026-03-11 3/150 2026-03-13 22:24 by JourneyLucky
[¿¼ÑÐ] Çóµ÷¼Á£¨²ÄÁÏÓ뻯¹¤327£© +4 °®³ÔÏã²ËÀ² 2026-03-11 4/200 2026-03-13 22:11 by JourneyLucky
[¿¼²©] 2026Ä격ʿÉêÇë +3 QwQwQW10 2026-03-11 3/150 2026-03-12 17:58 by gxch43
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û