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

[Laurence Marks]

Correction/expansion: there have been bugs in the inteface routines
provided in Intel mkl for fftw2, both sequential and mpi versions, and they
contain copyright statements so patched versions cannot be distributed.
Have you tested the interface for fftw3 in different mkl versions or only
the latest?

---------------------------
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 3:03 AM, "Laurence Marks" <L-marks at northwestern.edu> wrote:

> 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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>
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