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?
_WFK generation with paral_kgb
Moderator: bguster
Re: _WFK generation with paral_kgb
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)
If not, you should
This is now impose in the new version of the code (v6)
Marc Torrent
CEA - Bruyères-le-Chatel
France
CEA - Bruyères-le-Chatel
France