[Q-e-developers] [Fwd: Re: Quantum espresso, a chilean question :)]
Paolo Giannozzi
giannozz at democritos.it
Thu Jun 17 08:53:31 CEST 2010
FYI - P.
-------- Original Message --------
Subject: Re: Quantum espresso, a chilean question :)
Date: Wed, 16 Jun 2010 13:36:02 -0500
From: joaquin peralta <jperaltac at gmail.com>
To: Paolo Giannozzi <giannozz at democritos.it>
References:
<AANLkTingMa54bW-pVVJOBo-o7-56YmOonC8G7WwDpIdr at mail.gmail.com>
<CFBACB2A-1D04-4DF4-895D-FAB9157B0AED at democritos.it>
Dear Professor,
Thank you very much for your answer, today I compile espresso 4.2 (the
previously run was 4.1 ) using the same previously optimized libraries
and compilers that use Eduardo in version 4.1. And now, i don't get the
error message. Maybe a improvement in MPI parallelization in the new
version is the reason.
Regards
Joaquin Peralta
On Wed, Jun 16, 2010 at 6:04 AM, Paolo Giannozzi <giannozz at democritos.it
<mailto:giannozz at democritos.it>> wrote:
Hi Joaquin
If the problem is not easily reproducible on other machines,
it may easily be due to some weirdness of mathematical
or MPI libraries. If so, it will be very hard to find a solution.
Meanwhile, I forwarded your message to the developers
mailing list. Best regards
Paolo
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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Group of NanoMaterials
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http://www.gnm.cl
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Joaquín Andrés Peralta Camposano
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http://zeth.ciencias.uchile.cl/~jperalta
In a world without frontiers,
who needs Gates and Win.
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Paolo Giannozzi, Democritos and University of Udine, Italy
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