[Wien] SRC_lapw0/compile.msg in WIEN2k_12.1

Laurence Marks L-marks at northwestern.edu
Thu Jul 26 10:03:41 CEST 2012


The mkl interface/routines for mpi are fixed? There have been problems with
earlier mkl versions.

---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
 On Jul 26, 2012 2:57 AM, "Peter Blaha" <pblaha at theochem.tuwien.ac.at>
wrote:

> Or by putting the correct path and library-names into the R_LIBS field:
>
>         -L/opt/local/fftw/lib/           -lfftw_mpi  -lfftw
>
> --->   -L/path-where-fftw3-is-installed -lfftw3_mpi -lfftw3
>
> PS: For best performance on Intel-systems in sequential mode, see the
> comment in
> the UG  Chapter 11.1.1 about the mkl interface to fftw2xf  (or fftw3xf)
>
> Am 25.07.2012 17:42, schrieb Saeid Jalali:
> > Hi Laurence,
> > Thank you for your prompt reply.
> > The problem is fixed by changing the -DFFTW3 to -DFFTW2!
> > How did you find that?
> >
> > Sincerely yours,
> > S. Jalali
> > /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
> > Saeid Jalali Asadabadi,
> > Department of Physics, Faculty of Science,
> > University of Isfahan (UI), Hezar Gerib Avenue,
> > 81744 Isfahan, Iran.
> > Phones:
> > Dep. of Phys.   :+98-0311-793 2435
> > Office               :+98-0311-793 4776
> > Fax No.            :+98-0311-793 4800
> > E-mail              :sjalali at phys.ui.ac.ir <mailto:sjalali at phys.ui.ac.ir
> >
> >                            :sjalali at sci.ui.ac.ir <mailto:
> sjalali at sci.ui.ac.ir>
> >                            :sjalali at mailaps.org <mailto:
> sjalali at mailaps.org>
> >                            :saeid.jalali.asadabadi at gmail.com <mailto:
> saeid.jalali.asadabadi at gmail.com>
> >                    :s_jalali_a at yahoo.com <mailto:s_jalali_a at yahoo.com>
> > Homepage        :http://sci.ui.ac.ir/~sjalali <
> http://sci.ui.ac.ir/%7Esjalali>
> > www                  :http://www.ui.ac.ir <http://www.ui.ac.ir/>
> > /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
>
> --
>
>                                        P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WWW:
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
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