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

[Peter Blaha]

No, I'm not able to use them im parallel mode, but they work without problems in sequential mode.

Am 26.07.2012 10:03, schrieb Laurence Marks:
> 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 <http://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 <mailto: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:
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>      >                            :sjalali at sci.ui.ac.ir <mailto:sjalali at sci.ui.ac.ir> <mailto:sjalali at sci.ui.ac.ir <mailto:sjalali at sci.ui.ac.ir>>
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>     <mailto:saeid.jalali.asadabadi at gmail.com>>
>      >                    :s_jalali_a at yahoo.com <mailto:s_jalali_a at yahoo.com> <mailto:s_jalali_a at yahoo.com <mailto:s_jalali_a at yahoo.com>>
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>     --
>
>                                             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 <mailto:blaha at theochem.tuwien.ac.at>    WWW: http://info.tuwien.ac.at/theochem/
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-- 

                                       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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