[gpaw-users] Scalapack problem

[Jussi Enkovaara]

On 2011-12-21 10:28, Jens Jørgen Mortensen wrote:
> Hi!
>
> The attached GPAW text output files show the results of two
> calculations.  One with a BLACS 4x2 grid and 16x16 blocksize and another
> one with 2x4 grid and 32x32 blocksize.  The first one converges nicely,
> but the second one does not.  Is this a bug or am I doing something wrong?

Hi,
you seem to have different number of bands in the two calculations (700 vs. 651), 
could this explain the difference?

Best regards,
Jussi