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

Saeid Jalali s_jalali_a at yahoo.com
Wed Jul 25 17:19:41 CEST 2012


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
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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
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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: 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
>

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                                       P.Blaha
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