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【求助】求助castep动力学模拟出错
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建了个盒子，计算ZnSO4溶液的动力学模拟，用castep，出现如下错误，请大家帮忙看看，谢谢 Time Module Type Message Text 2009/05/12@16:36:05 Diagnostics INFO Log file created 2009/05/12@16:36:18 Message Box WARN An error occurred while opening a view onto the document: Failed to import document from D:\LinMS\znso4h2so4 Files\Documents\3D Atomistic.xsd. - Unable to process XSD content - Empty Document 2009/05/12@16:57:39 [SNOYC] - znso4h2so4 CASTEP Dynamics ERROR CASTEP terminated with unknown error status. 2009/05/12@17:56:38 [SNOYC] - znso4h2so4 CASTEP Dynamics ERROR Error on Job Complete. Failed to import document from D:\LinMS\znso4h2so4 Files\Documents\znso4h2so4 CASTEP Dynamics\znso4h2so4.xsd. - binary file with castep results not present. 2009/05/12@17:56:41 [SNOYC] - znso4h2so4 CASTEP Dynamics ERROR Files not removed from server due to previous errors. 2009/05/12@17:56:41 [SNOYC] - znso4h2so4 CASTEP Dynamics WARN As instructed, files have been left on remote server, these may need to be manually archived. 2009/05/12@18:32:21 [SSCE0] - crystals (1 0 0) CASTEP Dynamics ERROR CASTEP terminated with unknown error status. 2009/05/12@18:32:28 [SSCE0] - crystals (1 0 0) CASTEP Dynamics ERROR Error on Job Complete. Failed to import document from D:\LinMS\znso4h2so4 Files\Documents\crystals (1 0 0) CASTEP Dynamics (2)\crystals (1 0 0).xsd. - binary file with castep results not present. 2009/05/12@18:32:30 [SSCE0] - crystals (1 0 0) CASTEP Dynamics ERROR Files not removed from server due to previous errors. 2009/05/12@18:32:30 [SSCE0] - crystals (1 0 0) CASTEP Dynamics WARN As instructed, files have been left on remote server, these may need to be manually archived. 2009/05/12@18:48:54 [STK4K] - crystals (1 0 0) CASTEP Dynamics ERROR CASTEP terminated with unknown error status. 2009/05/12@18:49:04 [STK4K] - crystals (1 0 0) CASTEP Dynamics ERROR Error on Job Complete. Failed to import document from D:\LinMS\znso4h2so4 Files\Documents\crystals (1 0 0) CASTEP Dynamics\crystals (1 0 0) CASTEP Dynamics\crystals (1 0 0).xsd. - binary file with castep results not present. 2009/05/12@18:49:09 [STK4K] - crystals (1 0 0) CASTEP Dynamics ERROR Files not removed from server due to previous errors. 2009/05/12@18:49:09 [STK4K] - crystals (1 0 0) CASTEP Dynamics WARN As instructed, files have been left on remote server, these may need to be manually archived. 2009/05/12@19:07:01 [SUM0D] - crystals (1 0 0) CASTEP Dynamics ERROR CASTEP terminated with unknown error status. 2009/05/12@19:07:09 [SUM0D] - crystals (1 0 0) CASTEP Dynamics ERROR Error on Job Complete. Failed to import document from D:\LinMS\znso4h2so4 Files\Documents\crystals (1 0 0) CASTEP Dynamics (3)\crystals (1 0 0).xsd. - binary file with castep results not present. 2009/05/12@19:07:11 [SUM0D] - crystals (1 0 0) CASTEP Dynamics WARN As instructed, files have been left on remote server, these may need to be manually archived. |
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