Dear all,
We are using the start_q/last_q and start_irr/last_irr keywords to execute
phonon dispersion jobs within a HPC grid service. The scheme works really
nicely and we are able to run fairly large phonon dispersion calculations very
efficiently. However it would be great to know if we cou
Interesting: good to know that somebody is actually using
"grid" parallelization. The problem you mention is known
(together with other of similar kind, e.g. the time taken
during a restart by the initialization). The solution is
however not straightforward: the phonon code is very
complex and mus
On 11 February 2013 19:30, Karttunen Antti wrote:
> We would really appreciate any comments or ideas on how to avoid the
> overhead from the band structure calculations in the above scenario.
>
>
The old phonon code (until 4.1 from a very superficial search I just did)
used to, or at least could,
] On
Behalf Of Lorenzo Paulatto
Sent: Tuesday, February 12, 2013 8:01 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] ph.x: Avoiding the recalculation of the band structure
in distributed phonon dispersion jobs
The old phonon code (until 4.1 from a very superficial search I just did) used
to, or at le
On Mon, 2013-02-11 at 18:30 +, Karttunen Antti wrote:
> Dear all,
>
> We are using the start_q/last_q and start_irr/last_irr keywords to execute
> phonon dispersion jobs within a HPC grid service. The scheme works really
> nicely and we are able to run fairly large phonon dispersion calcul
l: +358-50-3473475
WWW: http://www.iki.fi/ankarttu
-Original Message-
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-boun...@pwscf.org] On
Behalf Of Andrea Dal Corso
Sent: Monday, February 25, 2013 7:36 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] ph.x: Avoiding the recalculation o
ersity of Jyv?skyl?, Finland
Tel: +358-50-3473475
WWW: http://www.iki.fi/ankarttu
-Original Message-
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-boun...@pwscf.org] On
Behalf Of Andrea Dal Corso
Sent: Monday, February 25, 2013 7:36 PM
To: PWSCF Forum
Subject: Re: [Pw_forum]
>
> -----Original Message-----
> From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
> Behalf Of Andrea Dal Corso
> Sent: Monday, February 25, 2013 7:36 PM
> To: PWSCF Forum
> Subject: Re: [Pw_forum] ph.x: Avoiding the recalculation of the band
> s
Message-
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-boun...@pwscf.org] On
Behalf Of Andrea Dal Corso
Sent: Tuesday, February 26, 2013 4:19 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] ph.x: Avoiding the recalculation of the band structure
in distributed phonon dispersion jobs
> Th
ssage-
> From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
> Behalf Of Andrea Dal Corso
> Sent: Tuesday, February 26, 2013 4:19 PM
> To: PWSCF Forum
> Subject: Re: [Pw_forum] ph.x: Avoiding the recalculat
Behalf Of Andrea Dal Corso
Sent: Wednesday, February 27, 2013 12:13 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] ph.x: Avoiding the recalculation of the band structure
in distributed phonon dispersion jobs
On Wed, 2013-02-27 at 06:55 +, Karttunen Antti wrote:
> Dear Andrea,
>
> Thank you v
riginal Message-
> From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
> Behalf Of Andrea Dal Corso
> Sent: Wednesday, February 27, 2013 12:13 PM
> To: PWSCF Forum
> Subject: Re: [Pw_forum] ph.x: Avoiding the recalculation of the band
> structu
: pw_forum-bounces at pwscf.org [mailto:pw_forum-boun...@pwscf.org] On
Behalf Of Andrea Dal Corso
Sent: Wednesday, February 27, 2013 3:30 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] ph.x: Avoiding the recalculation of the band structure
in distributed phonon dispersion jobs
I am not going to
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