forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: Mohua Bhattacharya <mohua.simoom@gmail.com>
- To: forum@abinit.org
- Subject: [abinit-forum] problem with parallelization variables
- Date: Tue, 16 Feb 2010 12:13:28 -0500
- Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=mime-version:date:message-id:subject:from:to:content-type; b=oRi7XkpiAM4AT3c3skXhosCRzY4EX0FkeCo0hk2WtVr5jd+dtPyaOaEq2Dv4HbsQhj Ao/BWqfyI0IC2OqWDFC2EObrkDB+7nmvB1XhGKHefTz37hLLdQVx4tfDy+9aO8uZjPZo sWsKlClKlcRYhRoIY7zB2sbgp+08Wuw3ttfMA=
Hello,
I am trying to optimize bulk Nb structure with abinip. I have 14 k points and 10 bands and 8 processors. I want to use both k pt and band FFT parallelization. (This is just a test that I am running before going into larger systems). So I set my parallelization variables as
paral_kgb 1
npband 4
npfft 4
npkpt 1
wfoptalg 4
fft_opt_lob 2
fftalg 401
iprcch 0
istwfk 14*1
The output file shows
P newkpt: treating 10 bands with npw= 1190 for ikpt= 1 by node 0
P newkpt: treating 10 bands with npw= 1191 for ikpt= 2 by node 0
P newkpt: treating 10 bands with npw= 1192 for ikpt= 3 by node 1
P newkpt: treating 10 bands with npw= 1205 for ikpt= 4 by node 1
P newkpt: treating 10 bands with npw= 1190 for ikpt= 5 by node 2
P newkpt: treating 10 bands with npw= 1191 for ikpt= 6 by node 2
P newkpt: treating 10 bands with npw= 1196 for ikpt= 7 by node 3
P newkpt: treating 10 bands with npw= 1194 for ikpt= 8 by node 3
P newkpt: treating 10 bands with npw= 1195 for ikpt= 9 by node 4
P newkpt: treating 10 bands with npw= 1220 for ikpt= 10 by node 4
P newkpt: treating 10 bands with npw= 1196 for ikpt= 11 by node 5
P newkpt: treating 10 bands with npw= 1192 for ikpt= 12 by node 5
P newkpt: treating 10 bands with npw= 1204 for ikpt= 13 by node 6
P newkpt: treating 10 bands with npw= 1212 for ikpt= 14 by node 6
and the log file has
mkrho: loop on k-points and spins done in parallel
It looks like band parallelization is not even invoked. Could someone please help me with this.
I am confused about how I should instruct abinip to use certain number of processors for band parallelization and some others for k pt parallelization.
Thank you very much for your time,
Regards
Mohua
- [abinit-forum] problem with parallelization variables, Mohua Bhattacharya, 02/16/2010
- Re: [abinit-forum] problem with parallelization variables, BOTTIN Francois, 02/17/2010
- Re: [abinit-forum] problem with parallelization variables, Mohua Bhattacharya, 02/17/2010
- Re: [abinit-forum] problem with parallelization variables, Mohua Bhattacharya, 02/17/2010
- Re: [abinit-forum] problem with parallelization variables, BOTTIN Francois, 02/18/2010
- Re: [abinit-forum] problem with parallelization variables, Mohua Bhattacharya, 02/19/2010
- Re: [abinit-forum] problem with parallelization variables, BOTTIN Francois, 02/18/2010
- Re: [abinit-forum] problem with parallelization variables, Mohua Bhattacharya, 02/17/2010
- Re: [abinit-forum] problem with parallelization variables, Mohua Bhattacharya, 02/17/2010
- Re: [abinit-forum] problem with parallelization variables, BOTTIN Francois, 02/17/2010
Archive powered by MHonArc 2.6.16.