[gpaw-users] Scalapack problem

[Jens Jørgen Mortensen]

On 21-12-2011 11:46, Jussi Enkovaara wrote:
> 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?

No, 4x2+16x16 works for both 700 and 651 bands and 2x4+64x64 fails for 
both 700 and 651 bands.

Jens Jørgen

> Best regards,
> Jussi
>