How to install CP2k in UBUNTU 12.04 LTS

[Irtaza Hassan]

Hi

I am graduate student, just started wroking on materials modeling and simulations.

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 will be very grateful.

Regards
IRTAZA

[Dominik 'Rathann' Mierzejewski]

Hello Irtaza,

On Tuesday, 07 January 2014 at 08:44, Irtaza Hassan wrote:
> Hi
>
> I am graduate student, just started wroking on materials modeling and
> simulations.
>
> 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.

Regards,
Dominik

--
The Fremen were supreme in that quality the ancients called "spannungsbogen"
-- which is the self-imposed delay between desire for a thing and the act of
reaching out to grasp that thing.
-- from "The Wisdom of Muad'Dib" by the Princess Irulan

[Michael Banck]

Hi,

On Tue, Jan 07, 2014 at 11:29:02AM +0100, Dominik 'Rathann' Mierzejewski wrote:
> 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]

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

Jörg

--
*************************************************************
Jörg Saßmannshausen
University College London
Department of Chemistry
Gordon Street
London
WC1H 0AJ

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

Please avoid sending me Word or PowerPoint attachments.
See http://www.gnu.org/philosophy/no-word-attachments.html

[Surya prakash singh]

Hi IRTAZA,

Finally are u able to install CP2K?