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zhouhua0227

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[交流] 【求助】表面優(yōu)化錯(cuò)誤分析

大家好，剛剛計(jì)算出現(xiàn)了一個(gè)這樣錯(cuò)誤提示，請(qǐng)大家?guī)兔Ψ治鲆幌拢≈x謝了！
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1樓 2010-10-17 11:25:27

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薛金祥

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aylayl08(金幣+1): 2010-10-17 19:30:06

是遠(yuǎn)程的服務(wù)器嗎？是不是沒(méi)有接通好？

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2樓2010-10-17 11:52:27

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zhouhua0227

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不是，我是在網(wǎng)上下載的MS軟件包，安裝在自己電腦上的，算了好幾遍都是這樣，也不知道為什么。

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3樓2010-10-17 16:33:08

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aylayl08

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zhouhua0227(金幣+1):謝謝參與

結(jié)果文件出錯(cuò)信息帖出來(lái)才可以分析

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珍惜擁有，快樂(lè)人生!歡迎光臨計(jì)算模擬區(qū)(*^__^*)。。。。。。。。。。。。。。

4樓2010-10-17 19:30:43

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錯(cuò)誤太多哦，呵呵，那麻煩你看一下，非常感謝！
Time Module Type Message Text
2008/08/25@10:24:36  Diagnostics INFO Log file created
2008/08/25@10:40:50  [EJ621] - MgO CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from d:\My Documents\Materials Studio Projects\2010-10-17 Files\Documents\New Folder1\MgO CASTEP GeomOpt\MgO.xsd. - Model has been modified and cannot be used for analysis: wrong number of atoms.
2008/08/25@10:40:51  [EJ621] - MgO CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
2008/08/25@10:40:51  [EJ621] - MgO CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived.
2008/08/25@11:16:26  [EK0TZ] - MgO3 (1 0 0) CASTEP GeomOpt ERROR CASTEP terminated with unknown error status.
2008/08/25@11:16:44  [EK0TZ] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from d:\My Documents\Materials Studio Projects\2010-10-17 Files\Documents\New Folder4\MgO3 (1 0 0) CASTEP GeomOpt\MgO3 (1 0 0).xsd. - .check file not present.
2008/08/25@11:16:44  [EK0TZ] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
2008/08/25@11:16:44  [EK0TZ] - MgO3 (1 0 0) CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived.
2008/08/25@11:19:02  [EK0YA] - MgO3 (1 0 0) CASTEP GeomOpt ERROR CASTEP terminated with unknown error status.
2008/08/25@11:19:11  [EK0YA] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from d:\My Documents\Materials Studio Projects\2010-10-17 Files\Documents\New Folder4\MgO3 (1 0 0) CASTEP GeomOpt\MgO3 (1 0 0).xsd. - .check file not present.
2008/08/25@11:19:11  [EK0YA] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
2008/08/25@11:19:11  [EK0YA] - MgO3 (1 0 0) CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived.
2008/08/25@11:19:40  [EK0ZC] - MgO3 (1 0 0) CASTEP GeomOpt ERROR CASTEP terminated with unknown error status.
2008/08/25@11:19:41  [EK0ZC] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from d:\My Documents\Materials Studio Projects\2010-10-17 Files\Documents\New Folder4\MgO3 (1 0 0) CASTEP GeomOpt\MgO3 (1 0 0).xsd. - .check file not present.
2008/08/25@11:19:42  [EK0ZC] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
2008/08/25@11:19:42  [EK0ZC] - MgO3 (1 0 0) CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived.
2008/08/25@11:24:47  [EL07U] - MgO3 (1 0 0) CASTEP GeomOpt ERROR CASTEP terminated with unknown error status.
2008/08/25@11:26:12  [EL07U] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from d:\My Documents\Materials Studio Projects\2010-10-17 Files\Documents\New Folder4\MgO3 (1 0 0) CASTEP GeomOpt (2)\MgO3 (1 0 0).xsd. - .check file not present.
2008/08/25@11:26:12  [EL07U] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
2008/08/25@11:26:12  [EL07U] - MgO3 (1 0 0) CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived.
2008/08/25@11:29:36  [EL0FX] - MgO3 (1 0 0) CASTEP GeomOpt ERROR CASTEP terminated with unknown error status.
2008/08/25@11:29:44  [EL0FX] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from d:\My Documents\Materials Studio Projects\2010-10-17 Files\Documents\New Folder4\MgO3 (1 0 0) CASTEP GeomOpt\MgO3 (1 0 0).xsd. - .check file not present.
2008/08/25@11:29:44  [EL0FX] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
2008/08/25@11:29:44  [EL0FX] - MgO3 (1 0 0) CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived.
2008/08/25@11:43:06  [EM02E] - MgO3 (1 0 0) CASTEP GeomOpt ERROR CASTEP terminated with unknown error status.
2008/08/25@11:43:10  [EM02E] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from d:\My Documents\Materials Studio Projects\2010-10-17 Files\Documents\New Folder4\MgO3 (1 0 0) CASTEP GeomOpt\MgO3 (1 0 0).xsd. - .check file not present.
2008/08/25@11:43:10  [EM02E] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
2008/08/25@11:43:10  [EM02E] - MgO3 (1 0 0) CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived.
2008/08/25@19:32:14  [F70SA] - MgO3 (1 0 0) CASTEP GeomOpt ERROR CASTEP terminated with unknown error status.
2008/08/25@19:33:22  [F70SA] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from d:\My Documents\Materials Studio Projects\2010-10-17 Files\Documents\New Folder4\MgO3 (1 0 0) CASTEP GeomOpt\MgO3 (1 0 0).xsd. - .check file not present.
2008/08/25@19:33:22  [F70SA] - MgO3 (1 0 0) CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
2008/08/25@19:33:22  [F70SA] - MgO3 (1 0 0) CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived.

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5樓2010-10-17 19:34:36

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bingmou

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2008/08/25@10:40:50 [EJ621] - MgO CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from d:\My Documents\Materials Studio Projects\2010-10-17 Files\Documents\New Folder1\MgO CASTEP GeomOpt\MgO.xsd. - Model has been modified and cannot be used for analysis: wrong number of atoms.
文件有錯(cuò)，是吧？

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6樓2010-10-18 09:41:56

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我也不知道，我算的是氧化鎂的表面，用是4層原子，16挨的真空層，但一投就算不了，顯示有錯(cuò)。不知道是為什么。MS算表面的話，一般最多可以算幾個(gè)原子�。磕奈淮髠b知道？謝謝了！

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7樓2010-10-18 09:53:33

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