| ²é¿´: 2845 | »Ø¸´: 7 | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
hnuzhoulin½ð³æ (СÓÐÃûÆø)
|
[ÇóÖú]
siestaÔËÐУ¬forrtl: severe (174): SIGSEGV, segmentation fault occurred
|
||
|
outcell: Unit cell vectors (Ang): 60.552510 0.000000 0.000000 0.000000 61.148290 0.000000 0.000000 0.000000 30.000000 outcell: Cell vector modules (Ang) : 60.552510 61.148290 30.000000 outcell: Cell angles (23,13,12) (deg): 90.0000 90.0000 90.0000 outcell: Cell volume (Ang**3) : 111080.4733 InitMesh: MESH = 360 x 360 x 180 = 23328000 InitMesh: Mesh cutoff (required, used) = 90.000 95.794 Ry * Maximum dynamic memory allocated = 1133 MB forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source siesta 0000000000766BF8 Unknown Unknown Unknown siesta 000000000073FDDF Unknown Unknown Unknown siesta 0000000000738330 Unknown Unknown Unknown siesta 000000000050B44E Unknown Unknown Unknown siesta 0000000000449E11 Unknown Unknown Unknown siesta 0000000000436745 Unknown Unknown Unknown siesta 000000000053069B Unknown Unknown Unknown siesta 000000000040968C Unknown Unknown Unknown libc.so.6 00007F682B4EA8A4 Unknown Unknown Unknown siesta 0000000000409599 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source siesta 0000000000766BF8 Unknown Unknown Unknown siesta 000000000073FDDF Unknown Unknown Unknown siesta 0000000000738330 Unknown Unknown Unknown siesta 000000000050B44E Unknown Unknown Unknown siesta 0000000000449E11 Unknown Unknown Unknown siesta 0000000000436745 Unknown Unknown Unknown siesta 000000000053069B Unknown Unknown Unknown siesta 000000000040968C Unknown Unknown Unknown libc.so.6 00007F013157F8A4 Unknown Unknown Unknown siesta 0000000000409599 Unknown Unknown Unknown yhrun: error: cn260: tasks 0-1: Exited with exit code 174 ÕâÊÇÔÚÁ½¸öºËÉÏÃæÅܵģ¬Èç¹û·ÅÔÚÒ»¸öºËÉÏÃæÅܾÍûÓÐÎÊÌ⣬¿ÉÒÔËãÏÂÈ¥¡£¡£¡£Ö×÷á»ØÊ£¿ |
» ÊÕ¼±¾ÌûµÄÌÔÌûר¼ÍƼö
siesta |
» ²ÂÄãϲ»¶
±¾ÈË¿¼085602 »¯Ñ§¹¤³Ì ר˶
ÒѾÓÐ23È˻ظ´
Çóµ÷¼ÁԺУÐÅÏ¢
ÒѾÓÐ4È˻ظ´
085600²ÄÁÏÓ뻯¹¤306
ÒѾÓÐ4È˻ظ´
286Çóµ÷¼Á
ÒѾÓÐ10È˻ظ´
328Çóµ÷¼Á£¬Ó¢ÓïÁù¼¶551£¬ÓпÆÑоÀú
ÒѾÓÐ9È˻ظ´
Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ070300 ѧ˶336Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
286·ÖÈ˹¤ÖÇÄÜרҵÇëÇóµ÷¼ÁÔ¸Òâ¿ç¿¼£¡
ÒѾÓÐ8È˻ظ´
×ÊÔ´Óë»·¾³ µ÷¼ÁÉêÇë(333·Ö)
ÒѾÓÐ5È˻ظ´
280Çóµ÷¼Á
ÒѾÓÐ12È˻ظ´
269ר˶Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
ÇóÖú molproÔËÐгö´í£¡¼±
ÒѾÓÐ5È˻ظ´
siestaÖÐÊÇ·ñÒѾʵÏÖLDA+U£¿
ÒѾÓÐ3È˻ظ´
siesta ±íÃæ²»ÊÕÁ²
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿siesta ÓÅ»¯¾§°û
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿H2 Binding Energy@SIESTA
ÒѾÓÐ13È˻ظ´
¡¾Ô´´¡¿³É¹¦±àÒësiesta-3.0-rc1
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿siesta ¼ÆËãDOSÓ¦¸Ã×¢ÒâʲôÎÊÌâ
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿siesta2.0.2 °²×°ÓÐЩ¾¯¸æ
ÒѾÓÐ4È˻ظ´
¡¾ÇóÖú¡¿siestaÖÐtransiestaÄ£¿éµÄÊÕÁ²±ê×¼ÊÇɶ~~
ÒѾÓÐ20È˻ظ´
¡¾ÇóÖú¡¿Ê²Ã´ÊÇSegmentation fault?
ÒѾÓÐ11È˻ظ´
hnuzhoulin
½ð³æ (СÓÐÃûÆø)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 7 (Ó×¶ùÔ°)
- ½ð±Ò: 1202.8
- ºì»¨: 6
- Ìû×Ó: 265
- ÔÚÏß: 49Сʱ
- ³æºÅ: 778409
- ×¢²á: 2009-05-24
- ÐÔ±ð: GG
- רҵ: ¼ÆËã»úÓ¦Óü¼Êõ
7Â¥2011-08-10 12:02:10
guohuazhong
ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 52 (³õÖÐÉú)
- ¹ó±ö: 0.032
- ½ð±Ò: 35131.5
- É¢½ð: 5
- ºì»¨: 19
- ɳ·¢: 1
- Ìû×Ó: 3924
- ÔÚÏß: 885.6Сʱ
- ³æºÅ: 550098
- ×¢²á: 2008-04-22
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï
ellsaking(½ð±Ò+1): ¸Ðл°ïÖú 2011-07-22 16:46:11
hnuzhoulin(½ð±Ò+5): лл£¬ÎÒ»»µ½10Ò²Ò»Ñù£¬ÎÒ±àÒëµÄÊÇ2.02°æ£¬Ã²ËÆÊÇ¿ÉÒÔifort11µÄ 2011-07-25 08:41:11
ellsaking(½ð±Ò+1): ¸Ðл°ïÖú 2011-07-22 16:46:11
hnuzhoulin(½ð±Ò+5): лл£¬ÎÒ»»µ½10Ò²Ò»Ñù£¬ÎÒ±àÒëµÄÊÇ2.02°æ£¬Ã²ËÆÊÇ¿ÉÒÔifort11µÄ 2011-07-25 08:41:11
|
¹À¼ÆÂ¥Ö÷ÓõÄifort11»òÊǸü¸ß°æ±¾µÄintel±àÒëÆ÷±àÒëµÄ³ÌÐò°É£¬½â¾öµÄ°ì·¨ÓÐÁ½¸ö£¬¿ÉÒÔ²ÎÕÕ²©¿Í http://blog.sciencenet.cn/home.php?mod=space&uid=378442&do=blog&id=391611 Ó¦¸ÃÄܽâ¾öÄãµÄÎÊÌâ |
2Â¥2011-07-22 16:29:35
guohuazhong
ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 52 (³õÖÐÉú)
- ¹ó±ö: 0.032
- ½ð±Ò: 35131.5
- É¢½ð: 5
- ºì»¨: 19
- ɳ·¢: 1
- Ìû×Ó: 3924
- ÔÚÏß: 885.6Сʱ
- ³æºÅ: 550098
- ×¢²á: 2008-04-22
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
¡ï ¡ï
zzy870720z(½ð±Ò+2): ллָµã 2011-07-22 22:08:09
zzy870720z(½ð±Ò+2): ллָµã 2011-07-22 22:08:09
| ²»ÊÇÄÚ´æÒç³öµÄÎÊÌ⣬siesta²¢ÐÐÓöµ½ÕâÖÖÇé¿ö£¬Ò»°ã¶¼ÊDZàÒëµÄÎÊÌ⣬ÒòΪµ¥ºËÄÜÔËÐУ¬²»ÊÇÄÚ´æÒç³ö¡£ |
4Â¥2011-07-22 16:49:11
hnuzhoulin
½ð³æ (СÓÐÃûÆø)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 7 (Ó×¶ùÔ°)
- ½ð±Ò: 1202.8
- ºì»¨: 6
- Ìû×Ó: 265
- ÔÚÏß: 49Сʱ
- ³æºÅ: 778409
- ×¢²á: 2009-05-24
- ÐÔ±ð: GG
- רҵ: ¼ÆËã»úÓ¦Óü¼Êõ
5Â¥2011-07-25 08:40:18













»Ø¸´´ËÂ¥