版塊導航: 正在加載中...

登錄注冊

應《網(wǎng)絡安全法》要求，自2017年10月1日起，未進行實名認證將不得使用互聯(lián)網(wǎng)跟帖服務。為保障您的帳號能夠正常使用，請盡快對帳號進行手機號驗證，感謝您的理解與支持！

24小時熱門版塊排行榜

返回列表

zhouhua0227

新蟲 (小有名氣)

應助: 0 (幼兒園)
金幣: 125.4
散金: 21
帖子: 74
在線: 37.1小時
蟲號: 1097766
注冊: 2010-09-13

[交流] 【求助】表面優(yōu)化錯誤分析

大家好，剛剛計算出現(xiàn)了一個這樣錯誤提示，請大家?guī)兔Ψ治鲆幌�！謝謝了！
The job has failed.
Download any results generated so far?

(Results files will be permanently removed from Server

回復此樓

» 猜你喜歡

323求調劑已經(jīng)有6人回復
一志愿北京化工大學 070300 學碩 336分求調劑已經(jīng)有4人回復
352求調劑已經(jīng)有3人回復
一志愿東華大學化學070300，求調劑已經(jīng)有8人回復
277材料科學與工程080500求調劑已經(jīng)有7人回復
317求調劑已經(jīng)有18人回復
293求調劑已經(jīng)有5人回復
280分求調劑一志愿085802 已經(jīng)有7人回復
0854電子信息求調劑已經(jīng)有3人回復
263求調劑已經(jīng)有4人回復

» 本主題相關價值貼推薦，對您同樣有幫助:

分子在表面優(yōu)化時出錯，請教各位已經(jīng)有7人回復
固相萃取優(yōu)化縱坐標表達的問題已經(jīng)有5人回復
【整理】今天整理硬盤上的資料，偶然發(fā)現(xiàn)的好玩的小東西就直接發(fā)上來吧已經(jīng)有105人回復
【求助】第一性原理，CO吸附TiN（111）已經(jīng)有10人回復
【求助】鎳110表面優(yōu)化失敗的原因在那？已經(jīng)有23人回復

1樓 2010-10-17 11:25:27

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

薛金祥

金蟲 (小有名氣)

應助: 3 (幼兒園)
金幣: 788.6
散金: 151
紅花: 3
帖子: 283
在線: 114.1小時
蟲號: 994267
注冊: 2010-04-11
性別: GG
專業(yè): 金屬材料表面科學與工程

★ ★
zhouhua0227(金幣+1):謝謝參與
aylayl08(金幣+1): 2010-10-17 19:30:06

是遠程的服務器嗎？是不是沒有接通好？

贊一下(2人)

回復此樓

2樓2010-10-17 11:52:27

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

zhouhua0227

新蟲 (小有名氣)

應助: 0 (幼兒園)
金幣: 125.4
散金: 21
帖子: 74
在線: 37.1小時
蟲號: 1097766
注冊: 2010-09-13

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。

贊一下

回復此樓

3樓2010-10-17 16:33:08

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

aylayl08

榮譽版主 (文壇精英)

至尊天蝎

1ST強帖: 1
應助: 3 (幼兒園)
貴賓: 4.825
金幣: 18823.7
散金: 2180
紅花: 34
沙發(fā): 48
帖子: 16357
在線: 824小時
蟲號: 533169
注冊: 2008-03-26
專業(yè): 無機非金屬基復合材料
管轄: 量子化學

★
zhouhua0227(金幣+1):謝謝參與

結果文件出錯信息帖出來才可以分析

贊一下(1人)

回復此樓

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

4樓2010-10-17 19:30:43

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

zhouhua0227

新蟲 (小有名氣)

應助: 0 (幼兒園)
金幣: 125.4
散金: 21
帖子: 74
在線: 37.1小時
蟲號: 1097766
注冊: 2010-09-13

錯誤太多哦，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.

贊一下

回復此樓

5樓2010-10-17 19:34:36

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

bingmou

金蟲 (著名寫手)

1ST強帖: 5
應助: 2 (幼兒園)
貴賓: 0.446
金幣: 431.9
散金: 171
紅花: 17
帖子: 1207
在線: 114.8小時
蟲號: 487243
注冊: 2007-12-28
專業(yè): 材料科學/半導體
管轄: 第一性原理

★
zhouhua0227(金幣+1):謝謝參與

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，是吧？

贊一下(1人)

回復此樓

6樓2010-10-18 09:41:56

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

zhouhua0227

新蟲 (小有名氣)

應助: 0 (幼兒園)
金幣: 125.4
散金: 21
帖子: 74
在線: 37.1小時
蟲號: 1097766
注冊: 2010-09-13

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。不知道是為什么。MS算表面的話，一般最多可以算幾個原子啊？哪位大俠知道？謝謝了！

贊一下

回復此樓

7樓2010-10-18 09:53:33

已閱回復此樓關注TA 給TA發(fā)消息送TA紅花 TA的回帖

相關版塊跳轉我要訂閱樓主 zhouhua0227 的主題更新

返回列表

最具人氣熱帖推薦 [查看全部]		作者	回/看	最后發(fā)表

[考研] 一志愿北京化工大學 070300 學碩 336分求調劑 +4	vv迷 2026-03-22	4/200	2026-03-22 23:29 by king123！
[考研] 石河子大學（211、雙一流）碩博研究生長期招生公告 +3	李子目 2026-03-22	3/150	2026-03-22 21:01 by 怎么釋懷
[考研] 北科281學碩材料求調劑 +6	tcxiaoxx 2026-03-20	6/300	2026-03-22 20:23 by edmund7
[考研] 尋找調劑 +4	倔強芒? 2026-03-21	4/200	2026-03-22 16:14 by 木托莫露露
[考研] 求調劑 +5	Zhangbod 2026-03-21	7/350	2026-03-22 13:13 by Zhangbod
[考研] 求調劑 +7	Auroracx 2026-03-22	7/350	2026-03-22 12:38 by 素顏傾城1988
[考研] 考研調劑 +3	呼呼？~+123456 2026-03-21	3/150	2026-03-21 20:04 by 無際的草原
[考研] 一志愿南大，0703化學，分數(shù)336，求調劑 +3	收到VS 2026-03-21	3/150	2026-03-21 18:42 by 學員8dgXkO
[考研] 0703化學調劑 +4	妮妮ninicgb 2026-03-21	4/200	2026-03-21 18:39 by 學員8dgXkO
[考研] 材料 271求調劑 +5	展信悅_ 2026-03-21	5/250	2026-03-21 17:29 by 學員8dgXkO
[考研] 南昌大學材料專碩311分求調劑 +6	77chaselx 2026-03-20	6/300	2026-03-21 07:24 by JourneyLucky
[考研] 一志愿天津大學化學工藝專業(yè)（081702）315分求調劑 +12	yangfz 2026-03-17	12/600	2026-03-21 03:30 by JourneyLucky
[考研] 材料專業(yè)求調劑 +6	hanamiko 2026-03-18	6/300	2026-03-21 00:24 by JourneyLucky
[考研] 材料學碩297已過四六級求調劑推薦 +11	adaie 2026-03-19	11/550	2026-03-20 21:30 by laoshidan
[考研] 一志愿西安交通大學學碩 354求調劑211或者雙一流 +3	我想要讀研究生 2026-03-20	3/150	2026-03-20 20:13 by JourneyLucky
[考研] 工科材料085601 279求調劑 +7	困于星晨 2026-03-17	9/450	2026-03-20 17:38 by 無懈可擊111
[考研] 085410人工智能專碩317求調劑（0854都可以） +4	xbxudjdn 2026-03-18	4/200	2026-03-20 09:07 by 不168
[考研] 材料考研調劑 +3	xwt。 2026-03-19	3/150	2026-03-19 11:22 by w沐陽w
[考研] 301求調劑 +4	A_JiXing 2026-03-16	4/200	2026-03-17 17:32 by ruiyingmiao
[考研] [導師推薦]西南科技大學國防/材料導師推薦 +3	尖角小荷 2026-03-16	6/300	2026-03-16 23:21 by 尖角小荷

24小時熱門版塊排行榜

[交流] 【求助】表面優(yōu)化錯誤分析

» 猜你喜歡

» 本主題相關價值貼推薦，對您同樣有幫助:

» 本主題相關價值貼推薦，對您同樣有幫助: