_WFK generation with paral_kgb

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_WFK generation with paral_kgb

Post by jtv » Wed Feb 03, 2010 7:28 pm

I'm trying to generate WFK files while using the kgb_paral option with ABINIT 5.8.4 (mpi-io enabled). The files generated seem to be much smaller than those made using simple k-point parallelization and the format seems to be different as if only a small slice of the wave-function is being printed out to disk.

Is there some set of options for controlling output or known limitation of paral_kgb that I am missing?

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Re: _WFK generation with paral_kgb

Post by torrent » Mon Feb 08, 2010 10:42 am

Did you put accesswff=1 to enforce MPI-IO access to the files ?
If not, you should
This is now impose in the new version of the code (v6)
Marc Torrent
CEA - Bruyères-le-Chatel

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