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

[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
                          :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
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/



________________________________
 From: Laurence Marks <L-marks at northwestern.edu>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
Sent: Wednesday, July 25, 2012 7:52 PM
Subject: Re: [Wien] SRC_lapw0/compile.msg in WIEN2k_12.1
 
Did you use -DFFTW2 in the parallel compile options? The first time
around I forgot, but when I added this there were no problems.

On Wed, Jul 25, 2012 at 10:19 AM, Saeid Jalali <s_jalali_a at yahoo.com> wrote:
> Hi Peter,
> I compiled the new version of the code, WIEN2k_12.1, using mpich-1.2.7p1,
> fftw-2.1.5, intel composerxe-2011.2.137.
> I got the following error, as can be seen at the end of the
> SRC_lapw0/compile.msg file which is attached to this email, ONLY in the
> lapw0:
> fft_modules.o: In function `fftw_parallel_mp_prepare_parallel_ffts_':
> fft_modules.F:(.text+0x43): undefined reference to `fftw_mpi_init'
> fft_modules.F:(.text+0xfe): undefined reference to
> `fftw_mpi_local_size_3d_f03'
> fft_modules.F:(.text+0x10f): undefined reference to `fftw_alloc_complex'
> fft_modules.o: In function `fftw_parallel_mp_c3fft_':
> fft_modules.F:(.text+0xcf0): undefined reference to `fftw_mpi_execute_dft'
> fft_modules.F:(.text+0x198b): undefined reference to `fftw_mpi_execute_dft'
> fft_modules.F:(.text+0x3639): undefined reference to
> `fftw_mpi_plan_dft_3d_f03'
> fft_modules.F:(.text+0x42e9): undefined reference to
> `fftw_mpi_plan_dft_3d_f03'
> make[1]: *** [lapw0_mpi] Error 1
> make[1]: Leaving directory `/usr/local/codes/wien2k/v12.1/SRC_lapw0'
> make: *** [para] Error 2
>
> The SRC_x/compile.msg files are free of any errors apart from x=lapw0.
> There are no such errors in the WIEN2k_11.1. The lapw0 of the WIEN2k_11.1 is
> compiled and the whole of the code works smoothly.
> Is something changed in the lapw0 of the new version so that we must
> consider additional tasks for compiling the mpi version of the code?
>
> 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
>                           :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
> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
>
> ________________________________
> From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> Sent: Wednesday, July 25, 2012 6:14 PM
> Subject: Re: [Wien] Wien2k 12
>
> It has an  expand_lapw.gz
>
> which is unzipped by  gunzip *.gz
>
>
> Am 25.07.2012 11:16, schrieb Jameson Maibam:
>> Dear Prof Blaha,
>> the new upgraded WIEN2k 12 does not have the executable file
>> (expand_lapw). Is it replaced by another name.
>> Yours sincerely
>> Jameson Maibam
>> Assam University
>>
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>
> --
>
>                                       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/
> --------------------------------------------------------------------------
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>



-- 
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
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120725/60803ca3/attachment.htm>