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

[Peter Blaha]

composerxe-2011.3.174 and composer_xe_2011_sp1.9.293

Am 26.07.2012 10:17, schrieb 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 <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 3:03 AM, "Laurence Marks" <L-marks at northwestern.edu <mailto: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 <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:
>          > Dep. of Phys.   :+98-0311-793 2435
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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>>
>          >                            :sjalali at mailaps.org <mailto:sjalali at mailaps.org> <mailto:sjalali at mailaps.org <mailto:sjalali at mailaps.org>>
>          >                            :saeid.jalali.asadabadi at gmail.com <mailto:saeid.jalali.asadabadi at gmail.com> <mailto: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> <mailto: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 <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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