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

Sat Dec 10 20:47:45 CET 2011

Ok, I just figure out it. Now it is ok. Thanks a lot for your help.
Have a nice weekend.
Nilton

2011/12/10 Laurence Marks <L-marks at northwestern.edu>

> 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
> _______________________________________________
> 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
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