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

[Samuel Poncé]

Hello,

I think any nscf calculation (after a scf to get density) should lead to
this. Any call to read_file() so also post processing etc.

We tested:
1) ifort (IFORT) 17.0.3 20170404 + Intel(R) MPI Library for Linux* OS,
Version 2017 Update 2 Build 20170125

2) ifort (IFORT) 16.0.0 20150815 + Intel(R) MPI Library for Linux* OS,
Version 5.1.1 Build 20150715 (build id: 12269)

3) ifort (IFORT) 16.0.0 20150815+  mvapich2 v 3.1.4

What work:

1) GCC 4.9.2 + openmpi 1.8.4

2) intel 2017 and 2016 + openmpi 2.0.2

Best,

Samuel


On 28 April 2017 at 18:04, Paolo Giannozzi <paolo.giannozzi at uniud.it> wrote:

> For any input? on specific inputs only? any compiler/mpi libraries?
> some specific combination thereof?
>
> Paolo
>
> On Fri, Apr 28, 2017 at 6:39 PM, Martin Schlipf
> <martin.schlipf at gmail.com> wrote:
> > I tracked the issue and it happens somewhere in the subroutine
> > read_file(). The error message that I get is
> >
> > PMPI_Bcast(1635): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> > comm=0xc4000001) failed
> >
> > which looks to me like we try to broadcast an array that is not
> allocated.
> >
> > -Martin
> >
> > On 28/04/17 17:24, Paolo Giannozzi wrote:
> >> 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
> >>> ------------------------------------------------------------
> ------------------------------------
> >>>
> >>>
> >>> _______________________________________________
> >>> Q-e-developers mailing list
> >>> Q-e-developers at qe-forge.org
> >>> http://qe-forge.org/mailman/listinfo/q-e-developers
> >>>
> >>
> >>
> >
> > _______________________________________________
> > Q-e-developers mailing list
> > Q-e-developers at qe-forge.org
> > http://qe-forge.org/mailman/listinfo/q-e-developers
>
>
>
> --
> 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
>
> _______________________________________________
> Q-e-developers mailing list
> Q-e-developers at qe-forge.org
> http://qe-forge.org/mailman/listinfo/q-e-developers
>



-- 

------------------------------------------------------------------------------------------------
    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  <fabio.caruso at materials.ox.ac.uk>
    web: http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9
------------------------------------------------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20170428/7702662f/attachment.html>