[gpaw-users] AssertionError in transformers.py

[Falco Hüser]

Hi,
can anyone tell me why I get this error in a regular groundstate 
calculation:

GPAW CLEANUP (node 13): exceptions.AssertionError occurred.  Calling 
MPI_Abort!
  File "/home/niflheim/falh/mygpaw/gpaw/transformers.py", line 48, in 
__init__
    assert ((gdin.n_c[0] + 2 * nn - 1) * (gdin.n_c[1] + 2 * nn - 1) <=
AssertionError

the script is:

import numpy as np
from ase import Atom, Atoms
from ase.structure import bulk
from ase.units import Hartree, Bohr
from gpaw import GPAW, FermiDirac

a = 3.567

atoms = bulk('C', 'diamond', a=a)
calc = GPAW(
            h=0.20,
            kpts=(9,9,9),
            xc='LDA',
            basis='dzp',
            txt='groundstate.txt',
            nbands=300,
            eigensolver='cg',
            occupations=FermiDirac(0.001),
            convergence={'bands':250}
           )

atoms.set_calculator(calc)
atoms.get_potential_energy()
calc.write('C_kpt9.gpw','all')

I used exactly the same script with 7x7x7 kpoints and had no problems.
The same happens also for other structures.

Thanks,
Falco