Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1165  |  »Ø¸´: 16
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

javy

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] (ÇóÖú)¸ß˹ÖмÆËã³ö´í

¸÷λÐֵܽãÃÃ,ÇëÎÊ:
ÔÚ¸ß˹¼ÆËãÖгöÏÖ"address error"ÊÇʲôÒâ˼°¡?ÊÇ"µØÖ·´íÎó"µÄÒâ˼Âð?
outÎļþÖжÏÔÚ¶ÁÈ¡»ù×éµÄÄÇÒ»²½(²ÉÓÃÁËØÍÊÆ»ù×é,ÔÚ¶ÁÈ¡ØÍÊÆÄDz¿ÖжÏ)
ÆäËûµÄÊäÈëºÃÏóûʲô´í
Çë´ó¼Ò°ï°ïæ,ллÏÈ
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

javy

½ð³æ (ÕýʽдÊÖ)

55555~~~~~~ÔõôûÓÐÈËÀíÎÒ?
2Â¥2008-02-21 15:03:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sandycug

½ð³æ (СÓÐÃûÆø)

Çë°ÑÊäÈëÎļþÇ°Ãæ²¿·ÖºÍÊä³öÎļþµÄβ°ÍÉϼ¸ÐÐÌù³öÀ´
3Â¥2008-02-21 16:35:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

javy

½ð³æ (ÕýʽдÊÖ)

ÊäÈëÎļþÇ°ÃæÊÇÕâÑùµÄ:
%mem=1000MB
%rwf=1.rwf,240MW,2.rwf,240MW,3.rwf,240MW,4.rwf,240MW,5.rwf,240MW,6.rwf,240MW,7.rwf,240MW,8.rwf,240MW,9.rwf,240MW,10.rwf,-1
%nosave
%chk=q.chk
%nproc=2
#p td=(singlets,nstates=50,alltransitiondensities,direct) b3lyp/genecp
  geom=connectivity pop=full

µçºÉ ¶àÖØ¶È

·Ö×Ó˵Ã÷²¿·Ö

(ÏÂÃæÊÇ»ù×é˵Ã÷²¿·Ö)
P O N C H 0
3-21G
****
Cu 0
Lanl2dz
****

Cu 0
Lanl2dz
4Â¥2008-02-21 17:04:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

javy

½ð³æ (ÕýʽдÊÖ)

Êä³öÎļþβÊÇÕâÑùµÄ:
EOF while reading ECP pointer card.
Error termination via Lnk1e in /g03u/intel70scsl/g03/l301.exe at Sat Feb 20 14:51:38 2010.
Job cpu time:  0 days  0 hours  0 minutes  0.5 seconds.
File lengths (MBytes):  RWF=     13 Int=      0 D2E=      0 Chk=      1 Scr=      1
5Â¥2008-02-21 17:07:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sxguoch

Òø³æ (СÓÐÃûÆø)

¡ï
csfn(½ð±Ò+1,VIP+0):thanks~
°ÑÃüÁîÐÐb3lyp/genecp¸Ä³Éb3lyp/GenÊÔÊÔ°É
6Â¥2008-02-21 18:30:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

javy

½ð³æ (ÕýʽдÊÖ)

лл¥ÉϵĠ ºóÀ´°Ñgenecp¸Ä³Égenºó¿ÉÒÔ²úÉú»ù×éÐÅÏ¢ÁË¡£
µ«ÊÇÓÐÒ»µã²»Ì«Ã÷°×£¬¾ÍÊÇ֮ǰҲËãÁËÒ»¸öÀàËÆµÄ·Ö×Ó£¬ÓÃgenecpûÓгö´íÐÅÏ¢£¬Á½¸ö¶¼ÊǶÔͬһÖÖÔ­×Ó²ÉÓÃØÍÊÆ£¬ÆäËûµÄ·Ç½ðÊôÔ­×Ó¶¼²ÉÓÃÈ«µç×Ó»ù×é¡£
ΪʲôÓеÄʱºòÔÚL301²»»á³ö´í£¬ÓеÄʱºòÓÖ»á³ö´íÄØ£¿
ÕâÁ½ÕßÓÐÊ²Ã´Çø±ðÄØ£¿Ö»ÖªµÀgenecp µÈ¼ÛÓÚ  gen pseudo=read

лл´ó¼Ò
7Â¥2008-02-22 08:51:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hairan

ľ³æ (ÖøÃûдÊÖ)

î§Ë¯Ä¾³æ

¡ï
csfn(½ð±Ò+1,VIP+0):thanks~
ÒýÓûØÌû:
Originally posted by sxguoch at 2008-2-21 18:30:
°ÑÃüÁîÐÐb3lyp/genecp¸Ä³Éb3lyp/GenÊÔÊÔ°É

¹â¸Ä³É gen£¬¼ÆËã½á¹û¿Ï¶¨ÊÇ´íÎóµÄ£¬¶ÔCuʹÓÃÁËlanl2dz»ù׿µÄ»°£¬±ØÐë¶ÁÈëØÍÊÆ

Â¥Ö÷ÔÚÊäÈëÎļþµÄ½áβ¶àÇü¸¸ö»Ø³µÊÔÊÔ¿´£¨¾ÍÊǶ༸¸ö¿ÕÐУ©
¾ÝȨÍþ±¨Ö½µ÷²é£¬84%µÄÇàÉÙÄê·¸×ïÕßÓÐÍæµç×ÓÓÎÏ·µÄ¾­Àú£¬¹ÊÓ¦¸Ã½ûÖ¹¾­Óªµç×ÓÓÎÏ·¡£¾ÝÎÒÃÇËùÖª£¬100%µÄÇàÉÙÄê·¸×ïÕßÓд©Ð¬µÄ¾­Àú£¬¹ÊÖÆÐ¬³§Ó¦¸ÃÍ£Òµ¡£
8Â¥2008-02-22 09:32:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

javy

½ð³æ (ÕýʽдÊÖ)

лл¥Éϵģ¬ÎÒÒ²ÊÔһϣ¬²»¹ý²»ÖªµÀΪʲô¼ÆËã½á¹û¿Ï¶¨»áÊÇ´íµÄ£¿
genecpºÍgenÖ®¼ä¾ßÌåÓÐÊ²Ã´Çø±ðÄØ£¿
9Â¥2008-02-22 10:20:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hairan

ľ³æ (ÖøÃûдÊÖ)

î§Ë¯Ä¾³æ

¡ï ¡ï
csfn(½ð±Ò+2,VIP+0):thanks~
ÒýÓûØÌû:
Originally posted by javy at 2008-2-22 10:20:
лл¥Éϵģ¬ÎÒÒ²ÊÔһϣ¬²»¹ý²»ÖªµÀΪʲô¼ÆËã½á¹û¿Ï¶¨»áÊÇ´íµÄ£¿
genecpºÍgenÖ®¼ä¾ßÌåÓÐÊ²Ã´Çø±ðÄØ£¿

ÎÒûÓùýgenecp£¬Ò»°ãÓÃgen pseudo=read£¬Ê¹ÓÃgen¹Ø¼ü´Ê£¬ÔÙʹÓÃØÍÊÆ»ù×飬±ØÐëʹÓÃpseudo=read£¬ÕâÊÇÎÒ³ÔÁËÎÞÊý´Î¿÷Ö®ºóѧ»áµÄ
¶Ô¹ý¶É½ðÊô£¬lanl2dzÊÇÒ»¸öØÍÊÆ»ù×飬¶ÔCuÔ­×Ó£¬ÄÚ²ãµÄ18¸öµç×ÓʹÓÃÁËÒ»¸öʹÓÃÁËÒ»¸öÓÐЧºËÐÄÊÆÀ´´úÌæ£¬Èç¹ûûÓжÁÈëØÍÊÆ£¬¾ÍÏ൱ÓÚÕâ¸öÍ­Ô­×ÓºËÓÐ29¸öÖÊ×Ó£¬¶øÍâ²ãÖ»ÓÐ11¸öµç×Ó£¬ËùÒÔ¼ÆËã½á¹û¿Ï¶¨ÊDz»¶ÔµÄ
¾ÝȨÍþ±¨Ö½µ÷²é£¬84%µÄÇàÉÙÄê·¸×ïÕßÓÐÍæµç×ÓÓÎÏ·µÄ¾­Àú£¬¹ÊÓ¦¸Ã½ûÖ¹¾­Óªµç×ÓÓÎÏ·¡£¾ÝÎÒÃÇËùÖª£¬100%µÄÇàÉÙÄê·¸×ïÕßÓд©Ð¬µÄ¾­Àú£¬¹ÊÖÆÐ¬³§Ó¦¸ÃÍ£Òµ¡£
10Â¥2008-02-22 10:54:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ javy µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 22408 һ־Ը˫һÁ÷È˹¤ÖÇÄÜ300·Ö ËÄÁù¼¶£¬Êý¾Ý·ÖÎö¹ú½± +4 zzfeng123 2026-04-06 6/300 2026-04-07 21:02 by zzfeng123
[¿¼ÑÐ] 285Çóµ÷¼Á +17 AZMK 2026-04-02 18/900 2026-04-07 20:31 by À¶ÔÆË¼Óê
[¿¼ÑÐ] µç×ÓÐÅÏ¢270Çóµ÷¼Á +6 terminal469 2026-04-07 6/300 2026-04-07 19:13 by jp9609
[¿¼ÑÐ] 312Çóµ÷¼Á +4 LR6 2026-04-06 4/200 2026-04-07 08:42 by jp9609
[¿¼ÑÐ] 285Çóµ÷¼Á +15 ŶßϺôo 2026-04-04 17/850 2026-04-06 23:02 by chenzhimin
[˶²©¼ÒÔ°] 0856²ÄÁÏ»¯¹¤Çóµ÷¼Á£¬Ò»Ö¾Ô¸211£¬³õÊԳɼ¨349 +4 ½­»´±±Ô 2026-04-05 4/200 2026-04-06 22:44 by chenzhimin
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶311·ÖÇóµ÷¼Á +11 Áº¸»¹óÏÕÖÐÇó 2026-04-04 13/650 2026-04-06 07:24 by houyaoxu
[¿¼ÑÐ] 22408 ×Ü·Ö320£¬Ò»ÆªÂÛÎĶþ×÷£¬Á½¸ö¹úÈý£¬Çóµ÷¼Á +3 Leomulufu 2026-04-04 5/250 2026-04-05 19:04 by chongya
[¿¼ÑÐ] 326Çóµ÷¼Á +3 ¹ËÈô¸¡Éú 2026-04-05 3/150 2026-04-05 18:32 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ²ÄÁÏר˶ µ÷¼Á +14 CXN123456 2026-04-03 14/700 2026-04-05 17:18 by Hdyxbekcb
[¿¼ÑÐ] ÇóÉúÎïѧѧ˶µ÷¼Á¡ª¡ª364·Ö +7 ÔÆ¶äåÞÍäÖ¸ÄÏ 2026-04-04 7/350 2026-04-04 22:49 by zhyzzh
[¿¼ÑÐ] ±¾¿Æ211 ·ÖÊý293ÇëÇóµ÷¼Á +4 Á«²Ë¾ÍÊÇź°É 2026-04-01 4/200 2026-04-04 22:32 by hemengdong
[¿¼ÑÐ] ²ÄÁÏ383Çóµ÷¼Á +5 ¹ùÑôÑôÑô³É 2026-04-04 5/250 2026-04-04 19:06 by dongzh2009
[¿¼ÑÐ] 357Çóµ÷¼Á +13 1050389037 2026-04-03 13/650 2026-04-03 22:27 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 085601Ò»Ö¾Ô¸±±Àí325·ÖÇóµ÷¼Á +6 ÕÒµ÷¼Á£¬£¬ 2026-04-02 6/300 2026-04-03 22:20 by –¹Æ?
[¿¼ÑÐ] 330Çóµ÷¼Á +3 °×ÉñÎØºôºô 2026-04-02 3/150 2026-04-03 10:15 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 298ÇóBÇøµ÷¼Á +4 zzz£¬£¬r 2026-04-02 5/250 2026-04-02 12:17 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] ²ÄÁÏר˶322·Ö +11 ¹þ¹þ¹þºðºðºð¹þ 2026-04-01 11/550 2026-04-02 10:52 by lnilvy
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼£¬085601×Ü·Ö305Çóµ÷¼Á +9 °ëÉú¹Ï£¡ 2026-04-01 11/550 2026-04-02 08:28 by Wang200018
[˶²©¼ÒÔ°] ¿¼Ñе÷¼Á +5 ÂæÍÕÄÐÈË 2026-04-01 5/250 2026-04-01 14:28 by syjjj0321
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û