[Pw_forum] pw.x does not work

Pablo García Risueño garcia.risueno at gmail.com
Mon Sep 17 10:35:49 CEST 2012


Dear Lorenzo

I think I did not express properly in my first email. Actually the problem
is given by the Espresso 4 version, not by the 5.0.1-GPU one...

Thank you very much, and best regards



2012/9/17 Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr>

> On 17 September 2012 10:20, Pablo García Risueño <garcia.risueno at gmail.com
> > wrote:
>
>> Dear Espresso experts
>>
>> I am making my first steps in Espresso. Unfortunately, I am still unable
>> to make it run. After doing $ configure and $ make pw (Espresso 4),
>> everything is all right. Howver, if I do
>>
>> $ /users/sol/risueno/Desktop/espresso-5.0.1-GPU/bin/pw.x < si.scf.in >
>> si.scf.out
>>
>
> Dear Pablo,
>
> I would bet there is some problem with the GPU environment; there is a
> specific mailing list for this version of QE: <q-e-gpgpu at qe-forge.org>.
> The GPU developers read this mailing list regularly, but you may have a
> faster and more pertinent response by writing directly there.
>
> bests
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
>
>
>
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>
>


-- 
--

Dr. Pablo García Risueño

Institut für Physik, Humboldt Universität, Newtonstrasse 15 (Claudia-Draxl
Group), 12489 Berlin, Germany

Tel. +49 030 20937904
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