[CP2K:4874] How to install CP2k in UBUNTU 12.04 LTS

Jörg Saßmannshausen j.sassma... at ucl.ac.uk
Thu Jan 16 23:20:00 UTC 2014

Hi all,

if you are using the Ubuntu repository make sure you get the latest version of 
cp2k here.

I done a bit of quick research on Debian. On Wheezy, the current stable 
version, they provide cp2k version 2.2.426-8. The testing version of Debian 
(Jessie) got version 2.4.0-2 which is, correct me if I am wrong, the latest 
stable version of cp2k.

Whereas I am quite happy to install these packages on a Desktop or so for some 
testing, I am not sure whether I want to install it on a cluster for 
production. These codes depend on highly optimised libraries like BLAS/LAPACK 
etc. and if you want to have the best performance I am still in favour of 
compiling it yourself, including these libraries. 

So my suggestion is: if you only want to have a dabble here and want to get to 
know cp2k, install it from a repository. 
If you, however, want to do full production runs I would suggest to install it 
yourself. There is actually a good instruction of how to install it on the 
download page.

My 2 pennies here from a wet London


On Dienstag 07 Januar 2014 Michael Banck wrote:
> Hi,
> On Tue, Jan 07, 2014 at 11:29:02AM +0100, Dominik 'Rathann' Mierzejewski 
> > On Tuesday, 07 January 2014 at 08:44, Irtaza Hassan wrote:
> > > I want to use CP2K, but i don't know how to install it,,,,,I am also
> > > new on LINUX.
> > > 
> > > Please someone provide step by step installation procedure of CP2 in
> > > ubuntu 12.04 LTS.
> > 
> > I don't want to discourage you from using Ubuntu if that's what your
> > colleagues or friends use, but on Fedora it's available in the
> > distribution repositories, so you don't have to compile it yourself.
> > 
> > On Fedora can install it using "yum install cp2k" command from a
> > terminal window (as root) or using any of the available software
> > installers.
> > 
> > I know it's also available for Debian, for example.
> It's available in Ubuntu (as they sync packages from Debian), but only
> from 12.10 on.
> Michael

Jörg Saßmannshausen
University College London
Department of Chemistry
Gordon Street

email: j.sassma... at ucl.ac.uk
web: http://sassy.formativ.net

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