[CP2K-user] [CP2K:13623] Cubecruncher installation at cluster

shixun sun suns... at gmail.com
Sat Jul 11 15:39:11 UTC 2020


dear Siqi Tang
 图一看起来是安装目录的问题,他给的目录和你安装的不一致,要根据实际情况来弄,比如cp(copy)  -r(复制目录)
你应该调整一下目录结构。顺便说下,我编译这个tool的时候根本没用到后两个图片的内容,第一个就足够了。我在超算上编译的
Best,
Sun

siqi tang <tung... at gmail.com> 于2020年7月11日周六 下午2:54写道:

> Dear All,
>
> The tool of Cubecruncher is needed to analyze my resulting calculation,
> but the installation at the cluster has always failed. Three instructions I
> found by searching the website of cp2k.org have been shown below as well
> as the resulting outputs.
>
> 1) The first instruction referred to the snapshot from the website (
> https://www.cp2k.org/exercises:2016_summer_school:gga) (upper) as well as
> the output (lower).
>
> [image: 1-1.PNG]
>
> [image: 1.PNG]
>
>
>
>
>
> 2) The second instruction referred to the snapshot from the website (
> https://www.cp2k.org/exercises:2015_ethz_mmm:dye_tio?s[]=cubecruncher)
> (upper) as well as the output (lower).
>
> [image: 2-2.PNG]
>
> [image: 2.PNG]
>
>
>
> 3) The last one referred to the snapshot from the website (
> https://www.cp2k.org/tools:cubecruncher?s[]=cubecruncher) (upper) as well
> as the output (below).
>
> [image: 3-3.PNG]
>
> [image: 3.PNG]
>
>
> I just started to learn the CP2K. Successful experience on similar
> installation at cluster is highly welcome, and a honest appreciation is
> rendered for reply.
>
>
> Thanks and Regards,
>
> Siqi Tang
>
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