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标题: 关于Castep第一性原理计算开始一分钟后报错 [打印本页]

作者
Author: 魂牵梦绕 时间: 2020-12-11 22:01
标题: 关于Castep第一性原理计算开始一分钟后报错
(, 下载次数 Times of downloads: 33) (, 下载次数 Times of downloads: 36)
在工作站跑关于表面吸附的第一性原理计算，在进行差分电荷密度计算时未能将DensityDifference按要求设置，在随后的计算，无论是几何优化还是能量计算、电荷密度计算，都会在运行一分钟之类结束
但是在自己的电脑可以进行运行，可以计算。暂时不能重启，有么有别的方法可以解决？
Job failed during launch process..
Open Log file now?

[size=-1]2020/12/11@21:41:18	[size=-1]Diagnostics	[size=-1]INFO	[size=-1]Log file created
[size=-1]2020/12/11@21:44:06	[size=-1][J3MOE] - Si (1 1 1) Holea CASTEP GeomOpt	[size=-1]ERROR	[size=-1]Incomplete CASTEP output file
[size=-1]2020/12/11@21:51:45	[size=-1][J3MOE] - Si (1 1 1) Holea CASTEP GeomOpt	[size=-1]ERROR	[size=-1]Error on Job Complete. Failed to import document from G:\15572065409\1_Files\Documents\Si (1 1 1) Holea CASTEP GeomOpt\Si (1 1 1) Holea.xsd. - Binary file with CASTEP results not present.
[size=-1]2020/12/11@21:51:45	[size=-1][J3MOE] - Si (1 1 1) Holea CASTEP GeomOpt	[size=-1]ERROR	[size=-1]Files not removed from server due to previous errors.
[size=-1]2020/12/11@21:51:45	[size=-1][J3MOE] - Si (1 1 1) Holea CASTEP GeomOpt	[size=-1]WARN	[size=-1]As instructed, files have been left on remote server, these may need to be manually archived.
[size=-1]2020/12/11@22:01:28	[size=-1][J4KHJ] - Si (1 1 1) Holea CASTEP GeomOpt	[size=-1]ERROR	[size=-1]Job failed during launch process, no results generated, no results downloaded, and project results folder has been removed.

作者
Author: sobereva 时间: 2020-12-12 03:24
看清楚板块再发贴，求助帖不得发到“公社大厅”板块。这次给你移动了，以后发错直接删帖

作者
Author: 魂牵梦绕 时间: 2020-12-12 10:24
okok

作者
Author: Q-DFT 时间: 2024-7-24 13:58
请问问题解决了吗

作者
Author: orchid 时间: 2024-10-8 17:42
你好，我这出现和你一样的问题，想请问你怎么解决的

作者
Author: wastefulll 时间: 2024-12-24 11:20
有解决办法吗，一样的问题

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