| ²é¿´: 835 | »Ø¸´: 4 | |||
| µ±Ç°Ö÷ÌâÒѾ´æµµ¡£ | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
freshgirlľ³æ (ÕýʽдÊÖ)
|
[½»Á÷]
¡¾ÇóÖú¡¿ÈçºÎÓÃGaussianView´ò¿ªUNIX Gaussian²úÉúµÄ.chkÎļþ
|
||
|
ÎÒµÄGaussianÊÇUNIX°æ±¾µÄ£¬×öÍê¼ÆËãºó£¬ÐèÒª.chkÎļþÀ´»HOMOºÍLUMO¡£ µ«ÊÇÎÒ·¢ÏÖGaussianView²»ÄÜ´ò¿ªUNIX Gaussian²úÉúµÄ.chkÎļþ£¬³öÏÖÒÔÏÂÌáʾ£º CConnectionGFCHK::Initialize() Cannot find file ÇëÎÊÎÒ¸ÃÔõô°ì£¿ [ Last edited by yjcmwgk on 2009-11-13 at 19:02 ] |
» ²ÂÄãϲ»¶
[Ìì½ò]ÖйúÃñº½´óѧ ÕÐÊÕ²ÄÁÏÀàÑо¿Éú
ÒѾÓÐ0È˻ظ´
¹ú¼Ò´óÈ˲ſÎÌâ×éÕÐÊÕ»¯Ñ§¡¢²ÄÁÏ»¯¹¤Àà2026Äêµ÷¼ÁÉú
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ107È˻ظ´
Õãʦ´ó»¯Óë²ÄѧԺ2026ÄêÓдóÁ¿Ë¶Ê¿Ñо¿Éúµ÷¼ÁÃû¶î £¨ÏßÉÏ µ÷¼Á£©
ÒѾÓÐ9È˻ظ´
¼ªÁÖ¹¤³Ì¼¼Êõʦ·¶Ñ§Ôº ²ÄÁÏÓ뻯¹¤ £¨0856£© ÕÐÊÕµ÷¼Á
ÒѾÓÐ5È˻ظ´
¹ú¼Ò´óÈ˲ſÎÌâ×éÕÐÊÕ»¯Ñ§¡¢²ÄÁÏ»¯¹¤Àà2026Äêµ÷¼ÁÉú
ÒѾÓÐ0È˻ظ´
¹ú¼Ò´óÈ˲ſÎÌâ×éÕÐÊÕ»¯Ñ§¡¢²ÄÁÏ»¯¹¤Àà2026Äêµ÷¼ÁÉú
ÒѾÓÐ0È˻ظ´
¼ªÁÖ¹¤³Ì¼¼Êõʦ·¶Ñ§Ôº ½»²æÑ§¿ÆÑо¿Ôº£¨08/07£© ÕÐÊÕµ÷¼Á
ÒѾÓÐ3È˻ظ´
¹ú¼Ò´óÈ˲ſÎÌâ×éÕÐÊÕ»¯Ñ§¡¢²ÄÁÏ»¯¹¤Àà2026Äêµ÷¼ÁÉú
ÒѾÓÐ0È˻ظ´
Ͷ¸åÆÚ¿¯ÇóÖú
ÒѾÓÐ1È˻ظ´
½Î÷ʦ´ó»¯Ñ§¹¤³ÌѧԺµ÷¼Á½ñÍí0µã¿ª·Å£¡ ȱ¶î100¸ö£¬Ëٳ壡
ÒѾÓÐ0È˻ظ´
spkeey
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1244.9
- É¢½ð: 3
- Ìû×Ó: 308
- ÔÚÏß: 14Сʱ
- ³æºÅ: 320174
- ×¢²á: 2007-03-10
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡ï
jghe(½ð±Ò+1,VIP+0):¸ÐлÄã²ÎÓëÌÖÂÛ£¡
jghe(½ð±Ò+1,VIP+0):¸ÐлÄã²ÎÓëÌÖÂÛ£¡
| ºÕºÕ£¬Æäʵ£¬¿´ÁËÏ´íÎó£¬Ó¦¸ÃÊÇÄã°Ñ chk ·ÅµÄĿ¼̫ÉîÁË£¨»òÓз¾¶°üº¬ÖÐÎÄ£©¡£Îҷŵ½ 5²ãÒÔϵÄĿ¼¡£gaussview ¾Í ½ÐCannot find file¡£²»ÐèҪת»»µÄ ¡£ |

5Â¥2008-12-04 19:50:25
recoli
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 2547.2
- ºì»¨: 2
- Ìû×Ó: 553
- ÔÚÏß: 92.9Сʱ
- ³æºÅ: 253003
- ×¢²á: 2006-05-20
¡ï
jghe(½ð±Ò+1,VIP+0):¸ÐлÄã²ÎÓëÌÖÂÛ£¡
jghe(½ð±Ò+1,VIP+0):¸ÐлÄã²ÎÓëÌÖÂÛ£¡
| ÏÈÓÃformchkÃüÁî°Ñchkת³Éfchk£¬ÔÙÓÃGaussView´ò¿ª |
2Â¥2008-12-04 13:28:22
freshgirl
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ¹ó±ö: 1.4
- ½ð±Ò: 92.5
- É¢½ð: 2921
- ºì»¨: 1
- Ìû×Ó: 406
- ÔÚÏß: 34.8Сʱ
- ³æºÅ: 585017
- ×¢²á: 2008-08-08
- רҵ: ÎïÀíµç×Óѧ
|
µ«ÊÇ»á³öÏÖÏÂÁдíÎó Read checkpoint file 4thNanocluster_670.chk Write formatted file 4thNanocluster_670.fchk Out-of-memory error in routine FChkPn-MO (IEnd= 7227361 MxCore= 6291456) Use %mem=7MW to provide the minimum amount of memory required to complete this step. Error termination via Lnk1e at Thu Dec 4 13:20:06 2008. Segmentation fault ´ÓÕâ¸ö´íÎóÏûÏ¢£¬ÏÔÈ»ÊÇÓÉÓÚÄÚ´æ²»¹»£¬µ«ÊÇ£¬ÎÒÓ¦¸ÃÔõôȥÐÞ¸ÄÄÚ´æÉèÖÃÄØ£¿formchkÃüÁîûÓдøÐÞ¸ÄÄÚ´æ´óСµÄÑ¡Ïî¡£ |
3Â¥2008-12-04 15:15:59
freshgirl
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ¹ó±ö: 1.4
- ½ð±Ò: 92.5
- É¢½ð: 2921
- ºì»¨: 1
- Ìû×Ó: 406
- ÔÚÏß: 34.8Сʱ
- ³æºÅ: 585017
- ×¢²á: 2008-08-08
- רҵ: ÎïÀíµç×Óѧ
¡ï
yyx19840628(½ð±Ò+1,VIP+0):×ÔÐнâ¾ö£¬²»´í°¡¡£Ð»Ð»½»Á÷
yyx19840628(½ð±Ò+1,VIP+0):×ÔÐнâ¾ö£¬²»´í°¡¡£Ð»Ð»½»Á÷
|
ÉÏÃæµÄÎÊÌâÒѾ±»ÎÒ½â¾öÁË¡£ ÕâÀÎÒÓÃIBM LoadLevelerÌá½»¹¤×÷¡£½«Gaussian³ÌÐòÆÁ±Î£¬Ö®ºóÀûÓÃsetenv GAUSS_MEMDEF 40000000ÃüÁÉèÖÃÐèÒªµÄÄÚ´æ¡£ÔÚÕâÀïÀý×ÓÖУ¬ÎÒÉèÖÃÁË4GBµÄÄÚ´æ¡£ÔÚformchkÃüÁîÐÐÖУ¬²»ÐèÒªÔÙ´ÎÖ¸¶¨Êä³öÎļþ£¬¶øÊÇÔÚ#@ outputÃüÁîÐÐÖÐÉèÖᣠת»»³ÉfchkÎļþºó£¬ÎªÁ˱£ÏÕÆð¼û£¬ÎÒ»¹ÐèÒªÓÃcubegenÃüÁî½².fchkÎļþת»»³É.cubeÎļþ¡£ÏÔÈ»£¬Õâ»ØÔÀí¶¼ÊÇÒ»ÑùµÄ¡£ #!/usr/bin/tcsh #@ job_type=serial #@ error = 4fchk.log #@ wall_clock_limit = 72:00:00 #@ output = 4.fchk #@ restart=no #@ queue #set path = ( $path /apps/cc/g03 ) #setenv GAUSS_EXEDIR /apps/cc/g03 #setenv g03root /apps/cc #source $g03root/g03/bsd/g03.login #setenv MP_SHARED_MEMORY yes setenv GAUSS_MEMDEF 40000000 formchk 4.chk |
4Â¥2008-12-04 15:53:39














»Ø¸´´ËÂ¥