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

[Paolo Giannozzi]

I see. It happens only with k-point parallelization, that I haven't
yet tested. Must be something simple

Paolo

On Wed, May 24, 2017 at 11:52 AM, Samuel Poncé <samuel.pon at gmail.com> wrote:
> 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
>>
>> _______________________________________________
>> 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
>     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
>



-- 
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