Cubecruncher installation at cluster

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siqi tang

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Jul 11, 2020, 2:54:27 AM7/11/20
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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).

1-1.PNG

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).

2-2.PNG

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).

3-3.PNG

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

shixun sun

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Jul 11, 2020, 11:39:25 AM7/11/20
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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...@gmail.com> 于2020年7月11日周六 下午2:54写道:
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