how to compile CP2K in ubuntu

Alfio Lazzaro 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:

https://www.cp2k.org/howto:compile

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 
toolchain:

https://www.cp2k.org/_media/events:2016_summer_school:building_cp2k.pdf

Finally, you might also consider that CP2K is part of the Ubuntu packages:

https://packages.ubuntu.com/search?keywords=cp2k

Alfio




Il giorno lunedì 9 aprile 2018 05:57:51 UTC+2, Tianshu Jiang in Beijing ha 
scritto:
>
>
> * 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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