[Wien] parallel installation problem in LAPW0

[Reza Mahani]

Thanks for your reply.
I installed Wien2k 12.1 which has fftw3 support, all previous errors are
gone now, but instead I have just one following error in LAPW0:

fft_modules.o: In function `fftw_parallel_mp_prepare_parallel_ffts_':
fft_modules.F:(.text+0xcf): undefined reference to `fftw_alloc_complex'

I should mention that there is no error in LAPW1 and 2 and I also tried
-DFFTW3 switch which is written in the mailing list but it didn't help.
Could you please tell me how to fix that?

Regards
Reza








On Mon, Sep 24, 2012 at 1:50 PM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:

> Version 11.1 does not have fftw3 support, but you have to link with fftw2
>
> only WIEN2k_12.1 has both, fftw2 and 3 support.
>
> Am 24.09.2012 13:45, schrieb Reza Mahani:
>
>>
>> Hi Prof Blaha and Wien2k users,
>>
>> I am trying to install Wien2k 11.1 with the following OPTIONS:
>>
>> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML
>> -traceback
>> current:FPOPT:$(FOPT)
>> current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_**ARCH) -pthread
>> current:DPARALLEL:'-DParallel'
>> current:R_LIBS:-lmkl_lapack95_**lp64 -lmkl_intel_lp64 -lmkl_intel_thread
>> -lmkl_core -openmp -lpthread
>> current:RP_LIBS:-lmkl_**scalapack_lp64 -lmkl_solver_lp64
>> -lmkl_blacs_lp64 -L/PATH-TO-FFTW3/lib/ -lfftw3_mpi -lfftw3 $(R_LIBS)
>> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>>
>> LAPW1 and 2 has been installed without any error but I have got the
>> following errors in LAPW0 for parallel installation:
>>
>> fftw_para.o: In function `exec_fftw_para_':
>> fftw_para.F:(.text+0x77): undefined reference to `fftwnd_f77_mpi_'
>> fftw_para.F:(.text+0xb2): undefined reference to `fftwnd_f77_mpi_'
>> fftw_para.o: In function `init_fftw_para_':
>> fftw_para.F:(.text+0x105): undefined reference to
>> `fftw3d_f77_mpi_create_plan_'
>> fftw_para.F:(.text+0x12f): undefined reference to
>> `fftw3d_f77_mpi_create_plan_'
>> fftw_para.F:(.text+0x157): undefined reference to
>> `fftwnd_f77_mpi_local_sizes_'
>> make[1]: *** [lapw0_mpi] Error 1
>> make[1]: Leaving directory `/PATH-TO-WIEN2K11/Wien2k_11.**1/SRC_lapw0'
>> make: *** [para] Error 2
>>
>> I have used "./configure CC=icc FC=ifort F77=ifort
>> --prefix=/PATH-TO-FFTW3/FFTW3 --enable-mpi" in order to configure the
>> fftw-3.3.2 and then "make" and "make install".
>> Does anyone know what are these errors and how to solve them?
>>
>> Regards
>> Reza
>>
>>
>> ______________________________**_________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.**at <Wien at zeus.theochem.tuwien.ac.at>
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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/**
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