[Pw_forum] cluster

raha khalili khadije.khalili at gmail.com
Sat Jan 10 11:45:44 CET 2015


Dear Dr. Paulatto

Thank's a lot for you helping.

Sorry for another question.

I want to use 4 systems (4 separate cases) simultaneously.
I've connected them to a server by a hub switch. After installing fedora 18
and configuring NFS and password-less SSH, then I've installed
(mpich2-1.4.1p1) and (espresso-5.1.1) on all of them (1server and 3
clinets) by this commands:

# ./configure --enable-parallel --with-internal-lapack --with-internal-blas
# make all

Could you please tell me if I am in right way or not?
And which version of QE and MPICH is appropriate for me?

Best regards,
Raha


On Sat, Jan 10, 2015 at 1:35 PM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> wrote:

>
> On 10/01/15 10:30, raha khalili wrote:
> >      This program is part of the open-source Quantum ESPRESSO suite
> >      for quantum simulation of materials; please cite
> >          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
> >           URL http://www.quantum-espresso.org",
> >      in publications or presentations arising from this work. More
> > details at
> > http://www.quantum-espresso.org/quote
> >
> >      Serial version
>
> Dear Raha,
> you are using the serial version of the code, please compile the
> parallel version in order to run it in parallel. If you are using the
> pre-packed version of mpich that comes with some linux distributions you
> have to install the development version of the package.
>
> In any case, I *strongly* recommend that you seek the help of some local
> linux expert (i.e. anybody with some exprience will do).
>
> kind regards
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> +33 (0)1 44 275 084 / skype: paulatz
> http://www-int.impmc.upmc.fr/~paulatto/
> 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
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>



-- 
Khadije Khalili
Ph.D Student of Solid-State Physics
Department of Physics
University of Mazandaran
Babolsar, Iran
kh.khalili at stu.umz.ac.ir
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