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exercises:2014_ethz_mmm:dye_tio

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exercise:dye_tio [2014/04/04 12:50] oschuettexercise:dye_tio [2014/04/04 14:21] – [2. Task: Bond induced density differences] oschuett
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 To process the cube files we are going to use the cubecruncher tool. It is part of CP2K, but not installed on brutus. To process the cube files we are going to use the cubecruncher tool. It is part of CP2K, but not installed on brutus.
-Therefore, a compiled binary of the tool is provided at ''/cluster/home03/matl/schuetto/cubecruncher.x''. To simplify the following steps you should create a symbolic link to it in your working directory:+Therefore, a compiled binary of the tool is provided at ''/cluster/home03/matl/schuetto/cubecruncher.x''. Before invoking the cubecruncher, you have to load the cp2k module. To simplify the following steps you should create a symbolic link to it in your working directory:
 <code> <code>
 you@brutusX ~$ ln -s /cluster/home03/matl/schuetto/cubecruncher.x . you@brutusX ~$ ln -s /cluster/home03/matl/schuetto/cubecruncher.x .
exercises/2014_ethz_mmm/dye_tio.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1