[gpaw-users] Test failures

[Janne Blomqvist]

On Mon, 15 Nov 2010 12:32:46 +0100, Marcin Dulak <Marcin.Dulak at fysik.dtu.dk> wrote:
> Hi,
> 
> Ondrej Marsalek wrote:
> > Hi,
> >
> > On Mon, Nov 15, 2010 at 10:17, Marcin Dulak <Marcin.Dulak at fysik.dtu.dk> wrote:
> >   
> >> Hi,
> >>
> >> first thing - avoid icc, i usually  have problems with it.
> >>     
> >
> > Thanks for the warning. I've had trouble with Intel compilers with
> > other software, but thought that with GPAW it was OK. Is anyone using
> > icc with GPAW? If so, what version?

I've tried with 9.1, 10.something and 11.0, never got it to work
properly. 

> >> With gcc: the failure of numpy_zdotc_graphite.py is usually a sign
> >> that there is a problem of gpaw-python/numpy linked blas:
> >> if your numpy built also with mkl - try to build it with default blas (and
> >> lapack) coming from numpy source.
> >> It will less inefficient, but probably work correctly.
> >>     
> >
> > Interesting. I am using the distribution-provided numpy that comes
> > with Ubuntu 10.10:
> > Python 2.6.6
> > numpy 1.3.0
> >   
> i would still build numpy with it's internal blas/lapack.
> The one from ubuntu uses probably atlas.

Yes, the ubuntu numpy uses atlas. However, at least with Ubuntu 10.04
AMD64 it seems to work for me with the packaged gcc, atlas and
openmpi. My customize.py is empty so everything is picked up
automatically when building.


-- 
Janne Blomqvist