Search found 4 matches
- Mon Feb 01, 2016 9:43 pm
- Forum: Ground state
- Topic: How is mpw computed - paral_kgb = 1
- Replies: 1
- Views: 2122
Re: How is mpw computed - paral_kgb = 1
This warning is meaningless when paral_kgb == 1, per gmatteo. See viewtopic.php?f=9&t=3177
- Sat Apr 28, 2012 1:27 am
- Forum: Improving ABINIT
- Topic: processor grid layout
- Replies: 1
- Views: 3158
processor grid layout
In the routine 51_manage_mpi/initmpi_grid.F90 the array telling mpi how to arrange the processes (mpi_energ%sizecart) is written in Fortran ordering, but I believe the mpi routine (mpi_cart_create) is assuming C ordering. The effect of this is that when using KGB parallelization the FFT processors a...
- Fri Feb 25, 2011 10:21 pm
- Forum: Ground state
- Topic: KGB paral processor assignment
- Replies: 0
- Views: 2236
KGB paral processor assignment
This may be in the wrong forum, but I wasn't sure where to put it. When running in parallel beyond just k-points I assume there is some degree of communication between different processors dealing with different bands or fft grids of the same k-point. As it stands it appears that ABINIT uses a round...
- Wed Feb 03, 2010 7:28 pm
- Forum: Ground state
- Topic: _WFK generation with paral_kgb
- Replies: 1
- Views: 2987
_WFK generation with paral_kgb
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 o...