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likai0106
½ð³æ (СÓÐÃûÆø)
- 1STÇ¿Ìû: 2
- Ó¦Öú: 38 (СѧÉú)
- ½ð±Ò: 1352.4
- Ìû×Ó: 233
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- ³æºÅ: 634278
- ×¢²á: 2008-10-23
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
2Â¥2012-04-26 16:07:45
liuqun
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 1856.2
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- ºì»¨: 1
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- ÔÚÏß: 199.6Сʱ
- ³æºÅ: 784404
- ×¢²á: 2009-06-01
- ÐÔ±ð: MM
- רҵ: ½á¹¹»¯Ñ§
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running on 6 nodes each image running on 1 nodes distr: one band on 1 nodes, 1 groups forrtl: No such file or directory forrtl: No such file or directory forrtl: No such file or directory vasp.5.2.2 15Apr09 complex forrtl: No such file or directory forrtl: No such file or directory forrtl: No such file or directory forrtl: severe (29): file not found, unit 8, file /scratch/lq/1/01/OUTCAR Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BDA7 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown forrtl: severe (29): file not found, unit 6, file /scratch/lq/1/05/stdout Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 0000000000461673 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BB74 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown forrtl: severe (29): file not found, unit 6, file /scratch/lq/1/03/stdout Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 0000000000461673 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BB74 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown forrtl: severe (29): file not found, unit 6, file /scratch/lq/1/06/stdout Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 0000000000461673 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BB74 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown forrtl: severe (29): file not found, unit 6, file /scratch/lq/1/04/stdout Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 0000000000461673 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BB74 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown forrtl: severe (29): file not found, unit 6, file /scratch/lq/1/02/stdout Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 0000000000461673 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BB74 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown rank 4 in job 1 c2_51396 caused collective abort of all ranks exit status of rank 4: return code 29 rank 3 in job 1 c2_51396 caused collective abort of all ranks exit status of rank 3: return code 29 rank 2 in job 1 c2_51396 caused collective abort of all ranks exit status of rank 2: return code 29 rank 0 in job 1 c2_51396 caused collective abort of all ranks exit status of rank 0: return code 29 ³ö´íÐÅÏ¢ |
3Â¥2012-04-26 18:53:43
likai0106
½ð³æ (СÓÐÃûÆø)
- 1STÇ¿Ìû: 2
- Ó¦Öú: 38 (СѧÉú)
- ½ð±Ò: 1352.4
- Ìû×Ó: 233
- ÔÚÏß: 68.5Сʱ
- ³æºÅ: 634278
- ×¢²á: 2008-10-23
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
4Â¥2012-04-27 07:49:01
dxcharlary
ר¼Ò¹ËÎÊ (Ö°Òµ×÷¼Ò)
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ר¼Ò¾Ñé: +83 - 1STÇ¿Ìû: 2
- Ó¦Öú: 251 (´óѧÉú)
- ½ð±Ò: 10423.1
- É¢½ð: 155
- ºì»¨: 65
- Ìû×Ó: 3137
- ÔÚÏß: 757.6Сʱ
- ³æºÅ: 936718
- ×¢²á: 2010-01-04
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
- ¹ÜϽ: µÚÒ»ÐÔÔÀí
5Â¥2012-04-27 11:09:56
xx4751
ͳæ (ÕýʽдÊÖ)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 440.1
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- Ìû×Ó: 307
- ÔÚÏß: 228.6Сʱ
- ³æºÅ: 1393264
- ×¢²á: 2011-09-07
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- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
6Â¥2012-07-07 21:45:22
lyxc43
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1799
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- ³æºÅ: 1753634
- ×¢²á: 2012-04-13
- רҵ: »·¾³µØÖÊѧºÍÔÖº¦µØÖÊѧ

7Â¥2014-03-28 21:04:42
guaiguaizhxd
ľ³æ (СÓÐÃûÆø)
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- ½ð±Ò: 2381.3
- ºì»¨: 11
- Ìû×Ó: 191
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- ³æºÅ: 1195834
- ×¢²á: 2011-01-25
- ÐÔ±ð: GG
- רҵ: °ëµ¼ÌåÎïÀí

8Â¥2014-03-29 00:16:34
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