24СʱÈÈÃŰæ¿éÅÅÐаñ    

Znn3bq.jpeg
²é¿´: 1046  |  »Ø¸´: 7
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß pheonix98 µÄ 1 ¸ö½ð±Ò
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

pheonix98

гæ (³õÈëÎÄ̳)

[½»Á÷] ¡¾ÇóÖú¡¿Çë°ïæ½â¾ö¸ö¼ÆËãµÄ³ö´í

ËãµÄºÜ¼òµ¥,¾ÍÊÇÒì¶¡ÍéµÄƵÂʼÆËã, Í·ÎļþÈçÏÂ:
mem=2gb
%nproc=2
#p b3lyp/6-31g* freq

opt

±¨´íÈçÏÂ:
Symmetry not used in FoFDir.
MinBra= 0 MaxBra= 2 Meth= 1.
IRaf=       0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0.
PrsmSu:  requested number of processors reduced to:   1 ShMem   1 Linda.
Not enough memory to run CalDSu, short by     1000000 words.
Error termination via Lnk1e in /home/ustc/g03/l1002.exe at Tue Mar 25 22:01:35 2008.


ÊÔ¹ýÁ˼ӴóÄÚ´æÃ»Ê²Ã´ÓÃ...лл¸÷λ!

[ Last edited by lei0736 on 2008-3-25 at 22:29 ]
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jghe

½ð³æ (ÖøÃûдÊÖ)

¡ï
lei0736(½ð±Ò+1,VIP+0):ллָµã
ºÜÃ÷ÏÔÄÚ´æ²»¹»°¡ Not enough memory to run CalDSu, short by     1000000 words£¬¼õСµã£¬¿´ÄãµÄ»úÆ÷
7Â¥2008-03-26 21:05:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

tpp001

½ð³æ (ÖøÃûдÊÖ)

¡ï
lei0736(½ð±Ò+1,VIP+0):лл
Symmetry not used in FoFDir.ÔÙÃüÁîÐмÓÉÏ nosymm ÊÔÊÔ
ÃÔãÔÚ֪ʶµÄº£ÑóÀÐèÒªÄãµÄÖ¸µ¼¡£thankyou
2Â¥2008-03-25 22:24:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tutu2000

½ð³æ (ÕýʽдÊÖ)

ÄãµÄ»úÆ÷ÄÚ´æÓжà´ó£¿
4Â¥2008-03-26 17:42:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

suntao1982

ľ³æ (ÖøÃûдÊÖ)

Сľ³æ

¡ï ¡ï ¡ï
lei0736(½ð±Ò+3,VIP+0):лл
%nproc=2
¸ÄΪ%nprocl=2
×öÖйúÈ˵Ļ¯Ñ§£¡£¡£¡£¡
5Â¥2008-03-26 19:34:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏÀà284µ÷¼Á +17 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 20/1000 2026-04-08 23:13 by À´¿´Á÷ÐÇÓê10
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +15 ŬÁ¦·Ü¶·112 2026-04-06 17/850 2026-04-08 22:27 by ¿­¿­Òª±ä˧
[¿¼ÑÐ] Çóµ÷¼ÁÇóµ÷¼Á +13 121. 2026-04-02 13/650 2026-04-08 21:36 by zhouxiaoyu
[¿¼ÑÐ] »¯Ñ§¹¤³Ìµ÷¼Á289 +30 yangæÃ 2026-04-07 31/1550 2026-04-08 21:25 by zhouxiaoyu
[¿¼ÑÐ] ²ÄÁÏ»¯¹¤×Ü·Ö334Çóµ÷¼Á +7 Riot2025 2026-04-08 7/350 2026-04-08 20:15 by luoyongfeng
[¿¼ÑÐ] 347²ÄÁÏר˶Çóµ÷¼Á +18 zj8215216 2026-04-06 18/900 2026-04-08 16:27 by luoyongfeng
[¿¼ÑÐ] 085602µ÷¼Á ³õÊÔ×Ü·Ö335 +3 19123253302 2026-04-06 3/150 2026-04-07 18:00 by jp9609
[¿¼ÑÐ] 0854Çóµ÷¼Á +9 ºàÊÏ·¬ÇÑɳ˾ 2026-04-06 10/500 2026-04-07 14:37 by shdgaomin
[¿¼ÑÐ] µ÷¼Á +4 mcbbc 2026-04-06 5/250 2026-04-07 12:33 by upczlm1989
[¿¼ÑÐ] 372·Ö²ÄÁÏÓ뻯¹¤£¨085600£©Ó¢¶þÊý¶þÇóµ÷¼Á +4 À¶¼ãƬ 2026-04-06 4/200 2026-04-07 12:30 by dongzh2009
[¿¼ÑÐ] 0703Çóµ÷¼Á383·Ö +9 W55j 2026-04-03 9/450 2026-04-06 06:50 by houyaoxu
[¿¼ÑÐ] 327Çóµ÷¼Á +4 ʰ¹âÈÎȾ 2026-04-05 4/200 2026-04-05 20:16 by ÄϺ½~ÍòÀÏʦ
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷±±Å©ÁÖÐóÄÁר˶336·ÖÇóµ÷¼Á +3 5ourr 2026-04-03 3/150 2026-04-05 10:40 by JOKER0401
[¿¼ÑÐ] ²ÄÁÏ»¯¹¤306·ÖÕÒºÏÊʵ÷¼Á +14 ²×º£ÇáÖÛe 2026-04-04 14/700 2026-04-05 09:53 by ÖìÔÆ»¢202
[¿¼ÑÐ] 331Çóµ÷¼Á +3 niby 2026-04-02 3/150 2026-04-04 19:56 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸0817»¯Ñ§¹¤³ÌÓë¼¼Êõ£¬Çóµ÷¼Á +24 ÎÒ²»ÊÇÖ»Òò 2026-04-02 28/1400 2026-04-04 15:15 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦985£¬326·ÖÇóµ÷¼Á +3 Áõīī 2026-04-03 3/150 2026-04-04 11:16 by ±¯É˵ÄÓóÍ·
[¿¼ÑÐ] 330Çóµ÷¼Á +3 °×ÉñÎØºôºô 2026-04-02 3/150 2026-04-03 10:15 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 326Çóµ÷¼Á +10 áÌáÌ×Ð 2026-04-02 10/500 2026-04-03 09:08 by ÅÁ¶ûÂíÀ­ÌØ
[¿¼ÑÐ] 377Çóµ÷¼Á +3 RASKIN 2026-04-02 3/150 2026-04-02 09:45 by zzchen2000
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û