[Wien] Error when I try to compile wienk at parallel mode

[Laurence Marks]

I did not notice before. You have a format error in your options. "-L"
is used for a directory where there are libraries, "-l" (lower case)
for the libraries. Remove the name of the file from the -L for RP and
add -lfftw_mpi -lfftw

2011/12/10 Nilton <nilton at ufba.br>:
> Dear Dr. Marks,
> thanks for the answer. I have checked the fftw libraries and it seems ok as
> you can see at below,
> _______________________///___________________________________
> [root at bodesking SRC_lapw0]# nm /usr/local/fftw/lib/libfftw_mpi.a | grep -e
> f77
> fftw_f77_mpi.o:
> 0000000000000090 T fftw2d_f77_mpi_create_plan_
> 0000000000000050 T fftw3d_f77_mpi_create_plan_
> 0000000000000160 T fftw_f77_mpi_
> 0000000000000190 T fftw_f77_mpi_create_plan_
> 0000000000000180 T fftw_f77_mpi_destroy_plan_
> 0000000000000150 T fftw_f77_mpi_local_sizes_
> 0000000000000010 T fftwnd_f77_mpi_
> 00000000000000c0 T fftwnd_f77_mpi_create_plan_
> 0000000000000040 T fftwnd_f77_mpi_destroy_plan_
> 0000000000000000 T fftwnd_f77_mpi_local_sizes_
> __________________________//___________________________
>
> they have one underscore. I compiled teh fft-2.1.5 with the parameters:
>  ./configure --prefix=/usr/local/fftw --enable-mpi --enable-thread F77=ifort
>
> and this came from configure comand to fftw:
>
> "checking for Fortran name-mangling scheme... lower case, underscore, no
> extra underscore"
>
> the same fortran compiler I am using to compile wien2k.
> So, I dont now how to fix it. Any clue?
> Nilton
>
>
> 2011/12/10 Laurence Marks <L-marks at northwestern.edu>
>>
>> I think I know what this is, but I may be wrong. Try
>>
>>  nm /usr/local/fftw/lib/libfftw_mpi.a | grep -e f77
>>
>> and the same for the other fftw library. Almost certainly you will
>> find the ones you want but without a "_" at the end. Almost certainly
>> this is because they were compiled with a different compiler than what
>> you are using and/or incorrect flags.
>>
>> 2011/12/10 Nilton <nilton at ufba.br>:
>> > Dear wien2k users,
>> > I tried to compile WIEN2k_11 in parallel mode and I got same error
>> > mensages.
>> > Anyone can help me? Thanks in advance. The error is only for lapw0. the
>> > others is ok.
>> >
>> > ------------------------------
>> > ------------------------------Error mensages--------------------------
>> > fftw_para.o: In function `exec_fftw_para_':
>> > fftw_para.F:(.text+0x7b): undefined reference to `fftwnd_f77_mpi_'
>> > fftw_para.F:(.text+0xb6): undefined reference to `fftwnd_f77_mpi_'
>> > fftw_para.o: In function `init_fftw_para_':
>> > fftw_para.F:(.text+0x101): undefined reference to
>> > `fftw3d_f77_mpi_create_plan_'
>> > fftw_para.F:(.text+0x129): undefined reference to
>> > `fftw3d_f77_mpi_create_plan_'
>> > fftw_para.F:(.text+0x14d): undefined reference to
>> > `fftwnd_f77_mpi_local_sizes_'
>> > make[1]: *** [lapw0_mpi] Error 1
>> > make[1]: Leaving directory `/home/nilton/wien2k/SRC_lapw0'
>> > make: *** [para] Error 2
>> >
>> > -----------------------------------------------------------------------------------------------------------------
>> > Makefile I have used
>> >
>> > FC = ifort
>> > MPF = mpif90
>> > CC = cc
>> > FOPT =  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
>> > FPOPT =  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
>> > DParallel = '-DParallel'
>> > FGEN = $(PARALLEL)
>> > LDFLAGS = $(FOPT) -L$(MKLROOT)/lib/intel64 -pthread
>> > R_LIBS     = -lmkl_blas95_lp64 -lmkl_lapack95_lp64
>> > $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group
>> > $(MKLROOT)/lib/intel64/libmkl_cdft_core.a
>> > $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a
>> > $(MKLROOT)/lib/intel64/libmkl_intel_thread.a
>> > $(MKLROOT)/lib/intel64/libmkl_core.a
>> > $(MKLROOT)/lib/intel64/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group
>> > -openmp
>> > -lpthread
>> > RP_LIBS = -L/usr/local/fftw/lib/libfftw_mpi.a
>> > -L/usr/local/fftw/lib/libfftw.a $(R_LIBS)
>> >
>> > System specifications:
>> > fftw-2.1.5
>> > mpich2
>> > fortran 12 and mkl 10.3
>> > Rocks cluster 5.4
>> >
>> > --
>> > Nilton S. Dantas
>> > Universidade Estadual de Feira de Santana
>> > Departamento de Ciências Exatas
>> > Área de Informática
>> > Av. Transnordestina, S/N, Bairro Novo Horizonte
>> > CEP 44036900 - Feira de Santana, Bahia, Brazil
>> > Tel./Fax +55 75 32248086
>> >
>> > _______________________________________________
>> > 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
>
>
>
>
> --
> Nilton S. Dantas
> Universidade Estadual de Feira de Santana
> Departamento de Ciências Exatas
> Área de Informática
> Av. Transnordestina, S/N, Bairro Novo Horizonte
> CEP 44036900 - Feira de Santana, Bahia, Brazil
> Tel./Fax +55 75 32248086
>
> _______________________________________________
> 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