[Wien] parallel compilation

[Laurence Marks]

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
>
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>



-- 
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.