[Q-e-developers] Problem with trunk and intel-MPI

Paolo Giannozzi paolo.giannozzi at uniud.it
Fri Apr 28 18:24:32 CEST 2017


I haven't noticed any such problem, but I haven't done extensive tests
recently. Without more information on what exactly fails how under
which circumstances, it is hard to say more

Paolo

On Fri, Apr 28, 2017 at 3:57 PM, Samuel Poncé <samuel.pon at gmail.com> wrote:
> Dear developers,
>
> Martin and I are currently performing scaling tests with different compilers
> and libraries.
>
> We noticed that the current svn trunk work for scf calculation but not when
> restart (like nscf calculations) when using intel-MPI (we tested both 2016
> and 2017).
>
> The problem seems to also appear with mvapich2.
>
> This seems correlated with the recent introduction of default xml ?
>
> Note that the r13459 and before are fine with all of those.
>
>
> Best,
> Samuel
>
> --
>
> ------------------------------------------------------------------------------------------------
>     Dr. Samuel Poncé
>     Department of Materials
>     University of Oxford
>     Parks Road
>     Oxford OX1 3PH, UK
>
>     Phone: +44 1865 612789
>     email: samuel.ponce at materials.ox.ac.uk
>     web: http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9
> ------------------------------------------------------------------------------------------------
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222




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