[Q-e-developers] Not enough spin components found

[Samuel Poncé]

Hello Paolo,

Oh I see. No problem.

May I suggest the EPW tests from the test-suite for IO tests.

EPW rely on a lot of IO from PW and PH and is indeed currently broken with

     Error in routine read_rhog (1):
     some G-vectors are missing

For example:
http://129.67.86.21:8010/builders/EPW-farmer_intel15/builds/282/steps/EPW_base/logs/stdio

Best wishes,

Samuel

On 23 May 2017 at 18:32, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:

> Funny: such error was replaced by a non-stopping message 23 h ago,
> rev. 13524. There are legitimate cases in which one might read less
> spin components from file than available. This being said, such
> message should never appear in 'normal' cases. I am still working on
> the I/O and it will take some more days (or weeks, depending upon the
> availability of my time and other people's help) before things start
> to stabilize. The main difficulty, by the way, is the lack of
> systematic tests for I/O.
>
> Paolo
>
>
>
> On Tue, May 23, 2017 at 7:07 PM, Samuel Poncé <samuel.pon at gmail.com>
> wrote:
> > Dear QE developers,
> >
> > I'm here reporting a possible recent issue with today's version of the
> svn
> > trunk.
> >
> > When doing an scf calculation with SOC with
> >     noncolin        =.true.
> >     lspinorb        =.true.
> >
> > followed by an nscf calculation using the same flag and I get:
> >  Error in routine read_rhog (1):
> >  not enough spin components found
> >
> > To double checked, I have recompiled the code at revision r13504 (2 weeks
> > ago).
> > Everything is fine with that earlier version.
> >
> > Best wishes,
> > 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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> > 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
>
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>



-- 

------------------------------------------------------------------------------------------------
    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
------------------------------------------------------------------------------------------------
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