[Wien] parallel compilation

[Jeff DeReus]

fftw was compiled into /opt/fftw-2.1.5 with flags

  $ ./configure --prefix=/opt/fftw-2.1.5/ --enable-mpi --enable-threads

Thank you,
JD

On Mon, Sep 14, 2009 at 10:27 AM, Laurence Marks
<L-marks at northwestern.edu>wrote:

> It looks like you did not compile fftw (or it is somewhere else).
>
> 2009/9/14 Jeff DeReus <jdereus at gmail.com>:
> > Hello again.  i am having some issues compiling lapw0/1/2 modules in
> > wein2k_09.  i am running on a CentOS 5.3 box.  intel non-commercial
> > compilers and mkl.
> >
> >
> >
> > here are my current parallel settings from siteconfig.
> >
> >    Current settings:
> >      RP  RP_LIB(SCALAPACK+PBLAS): -L/opt/intel/mkl/10.2.1.017/lib/em64t
> > -lmkl_lapack -lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64
> > -lmkl_sequential -L/opt/fftw-2.1.5/lib/ -lfftw_mpi -lfftw
> -L/opt/mpich2/lib
> > -lmpich
> >      FP  FPOPT(par.comp.options): $(FOPT) -FR -mp1 -w -prec_div -pc80
> -pad
> > -align -DINTEL_VML -traceback -I/opt/mpich2/include
> > -I/opt/fftw-2.1.5/fortran
> >      MP  MPIRUN commando        : mpiexec _EXEC_
> >
> > all other modules compile correctly.  if i do not enable parallel
> > functionality, the compilation completes with no errors.
> >
> > when compiling /opt/wien2k/SRC_lapw0 it ends with these errors which i
> have
> > not been able to track down.
> >
> > 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+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 `/opt/wien2k/SRC_lapw0'
> > make: *** [para] Error 2
> >
> > however, /opt/wien2k/SRC_lapw1/2 end with these errors.
> >
> > <snip>
> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
> > reference to `mkl_pdett__d_forward_trig_transform'
> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
> > reference to `mkl_trans_mkl_comatcopy'
> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
> > reference to `mkl_pdett_s_init_trig_transform'
> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
> > reference to `mkl_pdepl_s_commit_helmholtz_3d'
> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
> > reference to `mkl_pdepl_d_commit_helmholtz_2d'
> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
> > reference to `mkl_pdett__d_commit_trig_transform'
> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
> > reference to `mkl_trans_mkl_comatadd'
> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
> > reference to `mkl_serv_getversionstring_c'
> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
> > reference to `mkl_spblas_lp64_mkl_dcsrsky'
> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
> > reference to `mkl_pdett__d_init_trig_transform'
> > make[1]: *** [lapw2c_mpi] Error 1
> > make[1]: Leaving directory `/opt/wien2k/SRC_lapw2'
> > make: *** [cp] Error 2
> >
> >
> > i can find no mention of the fftw3d errors anywhere.
> >
> > my complete appropriate section of siteconfig
> >
> > # Linux PC system with IFC 10 compiler + mkl 10 (-ip is broken; -static
> does
> > not give traceback-lines)
> > linuxif9:FC:ifort
> > linuxif9:MPF:ifort
> > linuxif9:CC:cc
> > linuxif9:FOPT:-FR -mp1 -w -prec_div  -pc80 -pad -align -DINTEL_VML
> > -traceback -O3 -xW
> > linuxif9:FPOPT:$(FOPT) -FR -mp1 -w -prec_div -pc80 -pad -align
> -DINTEL_VML
> > -traceback -I/opt/mpich2/include
> > linuxif9:LDFLAGS:  $(FOPT) -L/opt/intel/mkl/10.2.1.017/lib/em64t-pthread
> > -i-static
> > linuxif9:R_LIBS:-L/opt/intel/mkl/10.2.1.017/lib/em64t -lmkl_lapack -lmkl
> > -liomp5 -lguide -lmkl_core
> > linuxif9:DPARALLEL:'-DParallel'
> > linuxif9:RP_LIBS: -L/opt/intel/mkl/10.2.1.017/lib/em64t -lmkl_lapack
> > -lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential
> > -L/opt/fftw-2.1.5/lib/ -lfftw_mpi -lfftw
> > linuxif9:MPIRUN:mpiexec _EXEC_
> >
> >
> > any assistance in this matter would be appreciated.
> >
> > Thank you,
> > JD
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> >
>
>
>
> --
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> Chair, Commission on Electron Crystallography of IUCR
> www.numis.northwestern.edu/
> Electron crystallography is the branch of science that uses electron
> scattering and imaging to study the structure of matter.
> _______________________________________________
> Wien mailing list
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>
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