[Pw_forum] pp.x ILDOS plots with ultrasoft pseudopotentials

[Henning Glawe]

On Wed, Feb 23, 2011 at 02:29:07PM +0100, Paolo Giannozzi wrote:
> On Feb 23, 2011, at 10:25 , Henning Glawe wrote:
> 
> > - my statement 'Affected quantum espresso versions: >=4.2' was  
> > referring to
> >   released versions, so the problem may be fixed in CVS (I saw a  
> > 4.3a version
> >   string in your case)
> 
> it looks like there is a problem with v.4.2.x that has disappeared in  
> the
> soon-to-be-released 4.3 version. The funny thing is that very little has
> changed in the affected part of the code

Another funny thing about the 'wrong' results is: they depend on the number
of MPI tasks; could the error be related to read-access to uninitialized
memory?

in any case, I'll give current CVS a try. Thank you for helping!

-- 
Mit freundlichen Grüßen
Henning Glawe

Max-Planck-Institut für Mikrostrukturphysik
Weinberg 2, 06120 Halle (Saale), Germany http://www.mpi-halle.de/~theory
Phone: +49-345-5582-613 Fax: +49-345-5511223  Email: glawe at mpi-halle.de