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

[Laurence Marks]

It is in the userguide/release notes

On Wed, Jul 25, 2012 at 10:42 AM, Saeid Jalali <s_jalali_a at yahoo.com> wrote:
> 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
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>>
>>
>
>
>
> --
> 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
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>



-- 
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