band parallelization

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
mohua
Posts: 16
Joined: Mon Feb 22, 2010 3:40 pm

band parallelization

Post by mohua » Thu Feb 25, 2010 12:55 am

Hello all,

I was wondering if I should expect something in the log file that tells me how the bands are divided between the assigned processors for band parallelization (just like in k point parallelization where it is explicitly written how many k points are treated by each processor). Or in other words, if I am parallelizing 648 bands over 8 processors does the log/output file say that 81 bands treated on node 0, 81 bands treated on node 1 ......

Thanks for your time,
Mohua

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: band parallelization

Post by mverstra » Fri Feb 26, 2010 12:25 am

look for npkpt npband npfft in the log file: these are the number of procs over which the kpt, band, and fft are spread over.

Matthieu
Matthieu Verstraete
University of Liege, Belgium

mohua
Posts: 16
Joined: Mon Feb 22, 2010 3:40 pm

Re: band parallelization

Post by mohua » Fri Feb 26, 2010 4:23 pm

Thanks a lot.

Locked