The ABINIT Users Mailing List ( CLOSED )

[BOTTIN Francois <francois.bottin@cea.fr>]

Manuel Pérez Jigato a écrit :
> and, the last question, what scalapack version do you use?
The Intel MKL8.0 or 9.0 implementations of ScaLAPACK.
> according to the paper, scalapack is used for the triple parallelisation
Yes, but only in subdiago.F90. This routine performs the diagonalization 
of the Hamiltonian within the subspace of wavefunctions.
Effects of this implementation are significant on the scaling for 
calculations using a large number of bands (>1000) and/or processors (>100).
In order to use this feature, you have to specify:
enable_scalapack="yes"
with_scalapack_includes="-I/include"
with_scalapack_libs="-L/lib -lscalapack"
> i guess scalapack is not included with abinit..
Not yet. I think, it's not envisaged (Yann is probably more up to date).
> regards
>
> Manuel
Francois
> Quoting BOTTIN Francois <francois.bottin@cea.fr>:
>
> > Yes, see the t93 and t94 tests in tests_v4 for sequential tests on
> > LOBPCG and also tP, tQ, tR and tS in tests_paral for parallel tests on
> > the triple parallelization with or without MPIO.
> > Bye
> > Francois
> >
> > Manuel Pérez Jigato a écrit :
> > > thaks a lot
> > >
> > > do there exist any examples or tests cases for this parallel  
> > > combination, or at least for the lobpcg method? i would like to try 
> > >  something that has been tested
> > > before, if at all possible
> > >
> > > regards
> > >
> > > Manuel Perez Jigato
> > > KU Leuven
> > --
> > ##############################################################
> > Francois Bottin                    tel: 01 69 26 41 73
> > CEA/DIF                            fax: 01 69 26 70 77
> > BP 12 Bruyeres-le-Chatel         email: Francois.Bottin@cea.fr
> > ##############################################################
>
>
>
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--
##############################################################
Francois Bottin                    tel: 01 69 26 41 73
CEA/DIF                            fax: 01 69 26 70 77
BP 12 Bruyeres-le-Chatel         email: Francois.Bottin@cea.fr
##############################################################