how to compile CP2K in ubuntu
alfio.... at gmail.com
Mon Apr 9 09:54:32 CEST 2018
First of all, make sure you have the proper library installed on your
system (e.g. BLAS, SCALAPACK, FFTW).
Then, you can follow the instructions here:
As Tianshu Jiang, you can take an existing arch file (in the arch
directory) and modify for your need.
A second option, which can be easier for installing CP2K, is to use the
Finally, you might also consider that CP2K is part of the Ubuntu packages:
Il giorno lunedì 9 aprile 2018 05:57:51 UTC+2, Tianshu Jiang in Beijing ha
> * make -j 8 ARCH=Linux-x86-64-intel-host VERSION=popt *Choose a
> version you need, there exists 4 different versions. sopt ssmp popt psmp.
> And choose a compiler ,GNU or Intel.
> 在 2018年4月9日星期一 UTC+8上午6:24:55，celio angel写道：
>> Dear all user of CP2K, how can i compile a file of cp2k in ubuntu in
>> parralel mode.what is the commod line.
>> Thank you
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