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【求助】用CASTEP模块计算，运行出这种错误，为什么呢？回帖有奖 已有1人参与
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头都大了，用CASTEP模块计算，运行出这种错误，我计算完能带结构和态密度，到光学计算那就失败了。而且在工作站上，将quality调fine也会任务失败。惆怅啊。。。 为什么呢？ |
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4楼2009-12-25 13:40:54
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2009/12/23@17:30:11 Diagnostics INFO Log file created 2009/12/24@15:55:11 [DJHG2] - 10mosi2 CASTEP GeomOpt ERROR CASTEP terminated with unknown error status. 2009/12/24@16:57:41 [FCJGB] - 10mosi2 CASTEP GeomOpt ERROR CASTEP terminated with unknown error status. 2009/12/24@16:57:55 [FCJGB] - 10mosi2 CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from H:\MoSi2 Files\Documents\10mosi2 CASTEP GeomOpt (2)\10mosi2.xsd. - binary file with castep results not present. 2009/12/24@16:57:55 [FCJGB] - 10mosi2 CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2009/12/24@16:57:55 [FCJGB] - 10mosi2 CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. 2009/12/24@17:00:33 [FCCL7] - 10mosi2 CASTEP GeomOpt ERROR CASTEP terminated with unknown error status. 2009/12/24@23:28:12 [FCHOU] - 10mosi2 CASTEP GeomOpt ERROR CASTEP terminated with unknown error status. 2009/12/25@10:22:36 [FCHOU] - 10mosi2 CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from H:\MoSi2 Files\Documents\10mosi2 CASTEP GeomOpt (2)\10mosi2.xsd. - binary file with castep results not present. 2009/12/25@10:22:38 [FCHOU] - 10mosi2 CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2009/12/25@10:22:38 [FCHOU] - 10mosi2 CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. 2009/12/25@15:15:06 [GQA91] - 10mosi2 CASTEP Energy ERROR CASTEP terminated with unknown error status. 2009/12/25@16:04:07 [H4XD3] - 10MoSi2CHUN CASTEP GeomOpt ERROR CASTEP terminated with unknown error status. 2009/12/25@16:04:58 [H4XD3] - 10MoSi2CHUN CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from H:\MoSi2 Files\Documents\10MoSi2CHUN CASTEP GeomOpt\10MoSi2CHUN.xsd. - binary file with castep results not present. 2009/12/25@16:05:01 [H4XD3] - 10MoSi2CHUN CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2009/12/25@16:05:01 [H4XD3] - 10MoSi2CHUN CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. |
6楼2009-12-25 16:06:30
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+---------------- MEMORY AND SCRATCH DISK ESTIMATES PER NODE -----------------+ | Memory Disk | | Model and support data 857.3 MB 363.5 MB | | Electronic energy minimisation requirements 898.6 MB 561.6 MB | | ----------------------------- | | Approx. total storage required per node 1755.9 MB 925.1 MB | | | | Requirements will fluctuate during execution and may exceed these estimates | +-----------------------------------------------------------------------------+ Out of RAM for coeffs in wave_allocate_wv Current trace stack: wave_allocate_wv electronic_initialise electronic_minimisation check_elec_ground_state castep |
8楼2009-12-29 10:47:32
11楼2009-12-29 16:25:46
12楼2009-12-29 16:34:36
14楼2009-12-29 21:44:19
16楼2009-12-30 00:29:58
18楼2009-12-30 11:28:23
23楼2010-01-03 10:53:37
