[gpaw-users] k-point parallelisation

[Alexander Hupfer]

Hi,
I have same trouble with k-points parallelisation. As I understood from a earlier post there must be at least one k-point per CPU. However I experience "load imbalance" problems with much lower number of CPU nodes than this. I use the standard parallelisation options give by:

parallel = {'domain':              None,
            'band':                1,
            'stridebands':         False,
            'sl_auto':             False,
            'sl_default':          None,
            'sl_diagonalize':      None,
            'sl_inverse_cholesky': None,
            'sl_lcao':             None,
            'buffer_size':         None}

for example a 6x6x6 kpoint calculation works on 27 nodes, but crashes on 54 nodes. What can I do about this?

- Alex
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