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

[Saeid Jalali]

Hi Peter,
Thank you for your comments.
Yes, I installed the latest version of the fftw, fftw-3.3.2, and compiled successfully the WINE2k_12.1 using the -DFFTW3 too by giving the right path:
RP  RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 -L/opt/local/fftw3/lib -lfftw3_mpi -lfftw3 $(R_LIBS)
  
 
Sincerely yours,
S. Jalali
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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
                          :sjalali at sci.ui.ac.ir
                          :sjalali at mailaps.org
                          :saeid.jalali.asadabadi at gmail.com
                          :s_jalali_a at yahoo.com
Homepage        :http://sci.ui.ac.ir/~sjalali
www                  :http://www.ui.ac.ir
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________________________________
 From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
Sent: Thursday, July 26, 2012 12:26 PM
Subject: Re: [Wien] SRC_lapw0/compile.msg in WIEN2k_12.1
 
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
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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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