[CP2K-user] [CP2K:14927] Re: Which folders can be deleted after the installation?

Tiziano Müller tiziano... at chem.uzh.ch
Thu Mar 11 08:17:02 UTC 2021

After the build you can definitely remove the complete cmake folder.
I also opened a new issue to reduce the size of the binaries [1].


[1] https://github.com/cp2k/cp2k/issues/1409

On 3/11/21 4:07 AM, Roman Ishchenko wrote:
> I've really built everything except for GCC and cuda. There are maybe 
> some libraries in common directories, but they are too old.
> My build directory now looks like that:
> 2,0G    ./libint-v2.6.0-cp2k-lmax-5
> 8,3G    ./cmake-3.18.5
> 1,5G    ./OpenBLAS-0.3.10
> 596M    ./fftw-3.3.8
> 1017M   ./libxc-4.3.4
> 96M     ./libxsmm-1.16.1
> 846M    ./scalapack-2.1.0
> 38M     ./SpFFT-0.9.13
> 218M    ./cosma-2.2.0
> 2,0G    ./SIRIUS-7.0.0
> 901M    ./elpa-2020.05.001
> 572M    ./gsl-2.6
> 1001M   ./hdf5-1.12.0
> 51M     ./libvdwxc-0.4.0
> 109M    ./spglib-1.16.0
> 133M    ./libvori-201229
> I think cmake is definitely not necessary but I'm really not sure.
> четверг, 11 марта 2021 г. в 03:01:19 UTC+7, n... at berkeley.edu:
>       If you pull cp2k from github right now it will only take about
>     ~2Gb. You can delete things like test files if you really need to
>     clear space but thats not where most of the 30Gb is coming from. I
>     just checked the build folders on my machine and found:
>     libint ~ .25Gb
>     libxc ~ .5Gb
>     libxsmm ~ 70Mb
>     These are the sort of 'standard' libraries to build with cp2k and
>     they are nowhere near 30Gb. The only thing I can surmise is that you
>     installed *absolutely everything* related to cp2k including intel
>     and gnu packages and cuda and what not. Some of this stuff should
>     definitely be stored in the common software by your HPC team and not
>     be needed. If it really is impossible for you to access them, then
>     you should contact the admins.
>     On Wednesday, March 10, 2021 at 10:36:26 AM UTC-8 ic... at gmail.com
>     wrote:
>         Dear cp2k community!
>         I've installed cp2k compiling all the libraries in my directory
>         as I work on HPC cluster and don't have access to system
>         directories.
>         Now it's taking lots of disk space (~30 Gb) and I want to get
>         rid of all the unnecessary files.
>         Which folders can be safely deleted after the installation not
>         to destroy my installation?
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Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

Tel: +41 44 63 54234
tiziano... at chem.uzh.ch

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