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15617151267新虫 (初入文坛)
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[求助]
计算时出现这种问题，应该如何解决？求助各位大神
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2021/03/31@08:18:53 Diagnostics INFO Log file created 2021/03/31@08:18:55 CIF Importer WARN Data block 3D\Atomistic contains unbonded hydrogens. 2021/03/31@08:18:57 CIF Importer WARN No crystal system (cell setting) present in data block global. 2021/03/31@08:18:57 CIF Importer WARN Data block global does not contain any connectivity information. 2021/03/31@08:18:58 CIF Importer WARN Data block FEPHCY does not contain any connectivity information. 2021/03/31@08:19:32 [0JBD6] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from D:\documents\MS4.2\TiO2+NPci_Files\Documents\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt (2)\TiO2_anatase (0 1 0) +NPci.xsd. - Binary file with CASTEP results not present. 2021/03/31@08:19:33 [0JBD6] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2021/03/31@08:19:33 [0JBD6] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. 2021/03/31@08:19:50 [2NXXW] - NiPc+CO2 CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from D:\documents\MS4.2\TiO2+NPci_Files\Documents\NiPc+CO2 CASTEP GeomOpt\NiPc+CO2 CASTEP GeomOpt (2)\NiPc+CO2.xsd. - Binary file with CASTEP results not present. 2021/03/31@08:19:51 [2NXXW] - NiPc+CO2 CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2021/03/31@08:19:51 [2NXXW] - NiPc+CO2 CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. 2021/03/31@08:20:28 [2NXXW] - NiPc+CO2 CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from D:\documents\MS4.2\TiO2+NPci_Files\Documents\NiPc+CO2 CASTEP GeomOpt\NiPc+CO2 CASTEP GeomOpt (2)\NiPc+CO2.xsd. - Binary file with CASTEP results not present. 2021/03/31@08:20:29 [2NXXW] - NiPc+CO2 CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2021/03/31@08:20:29 [2NXXW] - NiPc+CO2 CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. 2021/03/31@08:20:39 [0JBD6] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from D:\documents\MS4.2\TiO2+NPci_Files\Documents\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt (2)\TiO2_anatase (0 1 0) +NPci.xsd. - Binary file with CASTEP results not present. 2021/03/31@08:20:40 [0JBD6] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2021/03/31@08:20:40 [0JBD6] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. 2021/03/31@08:27:44 [5UFWG] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR /public/home/msi2018/BIOVIA/MaterialsStudio18.1/bin/intel64/etc/tmi.conf: No such file or directory 2021/03/31@08:27:50 [5UFWG] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from D:\documents\MS4.2\TiO2+NPci_Files\Documents\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt (2)\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt\TiO2_anatase (0 1 0) +NPci.xsd. - Binary file with CASTEP results not present. 2021/03/31@08:27:51 [5UFWG] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2021/03/31@08:27:51 [5UFWG] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. 2021/03/31@08:30:29 [5VX21] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Trapped SIGINT or SIGTERM. Exiting... 2021/03/31@08:31:06 [5VX21] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from D:\documents\MS4.2\TiO2+NPci_Files\Documents\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt (2)\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt\TiO2_anatase (0 1 0) +NPci.xsd. - Binary file with CASTEP results not present. 2021/03/31@08:31:06 [5VX21] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2021/03/31@08:31:06 [5VX21] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. 2021/03/31@08:42:14 [5VCL7] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR /public/home/msi2018/BIOVIA/MaterialsStudio18.1/bin/intel64/etc/tmi.conf: No such file or directory 2021/03/31@08:42:17 [5VCL7] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from D:\documents\MS4.2\TiO2+NPci_Files\Documents\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt\TiO2_anatase (0 1 0) +NPci.xsd. - Binary file with CASTEP results not present. 2021/03/31@08:42:18 [5VCL7] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2021/03/31@08:42:18 [5VCL7] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. 2021/03/31@14:51:41 [5YS38] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from D:\documents\MS4.2\TiO2+NPci_Files\Documents\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt\TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt\TiO2_anatase (0 1 0) +NPci.xsd. - Binary file with CASTEP results not present. 2021/03/31@14:51:43 [5YS38] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2021/03/31@14:51:43 [5YS38] - TiO2_anatase (0 1 0) +NPci CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. |
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2楼2021-06-08 16:26:11