The ABINIT Users Mailing List ( CLOSED )

[Davide Sangalli <davide.sangalli@gmail.com>]

Hi Feffe, thank you a lot! 
Yes I'm running in parallel and I guess this is the problem.

Davide

On Fri, Aug 21, 2009 at 1:07 PM, <iori@theory.polytechnique.fr> wrote:

Hi Davide!

Are you using a parallel calculation to do the kss?
because if i'm not wrong, in the 5.7.3 you can't  do a parallel
calculation for a spin polarized calculation  to calculate the KSS. it
doesn work..i think a bug or a feature not implemented in the old
versioone.
you should do a serial one or use the irwf flag.

feffe

> Dear forum,
>    I'm running abinit un to produce a KSS file for later calculations.
>
> I did two time the same calculation, once with nsppol=1 and everything was
> fine (I got my KSS), then with nsppol=2 but the KSS file is not produced
> and
> in the .out file I got the following message:
> **************************************
>  outkss: BUG -
>   The set of g vectors is inconsistent ! Check source.
>   Program does not stop but _KSS file will not be created...
>   Action : contact ABINIT group.
> **************************************
> I'm running:
> Version 5.7.3  of ABINIT
> (MPI version, prepared for a x86_64_linux_intel10.1 computer)
>
> Any hint?
> Attached my input file with nsppol=2 (the other run is the same but with
> nsppol=1)
>
> Best regards,
> Davide
>