[Pw_forum] problems with pp.x for parallel processing
Natalia Pavlenko
natalia at npavlenko.com
Sat Oct 8 10:54:07 CEST 2011
Dear Paolo,
In attachment I am sending 3 job scripts for a simple SrTiO3 layered structure which can be calculated pretty fast: (1)scf, (2)nscf and
(3) pp.x for evaluation of charge density contours. The scf and nscf calculations are performed without any problem, but pp.x is crashed with the same warning:
from local_dos : error # 1
problems with xk_pool
I would be grateful for your assistance.
With best regards, Natalia
-----------------------------------------
Dr. Natalia Pavlenko
Institute for Condensed Matter Physics,
Lviv, Ukraine
Tel.: +38-0322-707401
Fax: +38-0322-761158
--- On Fri, 10/7/11, Paolo Giannozzi <giannozz at democritos.it> wrote:
> From: Paolo Giannozzi <giannozz at democritos.it>
> Subject: Re: [Pw_forum] problems with pp.x for parallel processing
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Friday, October 7, 2011, 1:32 PM
>
> On Oct 7, 2011, at 22:29 , Natalia Pavlenko wrote:
>
> > It does not work, unfortunately.
>
> please provide an example that can be run in a reasonable
> amount of time
>
> P.
> ---
> Paolo Giannozzi, Dept of
> Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
> _______________________________________________
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> Pw_forum at pwscf.org
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>
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