[gpaw-users] Scalapack problem

[Jens Jørgen Mortensen]

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?

Jens Jørgen

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