[Wien] Intel mkl dft+fftw3

Laurence Marks L-marks at northwestern.edu
Tue Feb 19 14:05:42 CET 2013


Dear Luis,

Thanks for the options, but they do not quite do what I want - which is to
replace -lfftw3_mpi by the mkl cdft eqivalents. The documentation claims
that the mpi version is integrated. It might be better (or worse). I think
I managed to do it once before with fftw2 then ran into bugs in cdft so
gave up.

---------------------------
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
 On Feb 19, 2013 6:50 AM, "Luis Ogando" <lcodacal at gmail.com> wrote:

>  Dear Prof. Marks,
>
>     Just to check if I have what you are interested in, I am sending you
> my compilation options and compiler version below.
>    I am using openmpi 1.6 and the "version" file is attached.
>    Any other information you need/want, please, contact me.
>    All the best,
>                     Luis Ogando
>
>
> -----------------------------------------------------------------------------------------------------------
>
>  SEQUENTIAL VERSION:
>
>  Current settings:
>  O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
> -DINTEL_VML -DFFTW3 -traceback
>  L   Linker Flags:            $(FOPT)
> -L/opt/intel/composerxe-2011.3.174/mkl/lib/intel64
> -L/opt/intel/composerxe-2011.3.174/mkl/interfaces/fftw3xf -pthread
>  P   Preprocessor flags       '-DParallel'
>  R   R_LIB (LAPACK+BLAS):     -lmkl_lapack95_lp64 -lmkl_intel_lp64
> -lmkl_intel_thread -lmkl_core -lfftw3xf_intel -openmp -lpthread
>
>
> -----------------------------------------------------------------------------------------------------------
>
>  PARALLEL VERSION:
>
>    Current settings:
>      RP  RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64 -lmkl_solver_lp64
> -lmkl_blacs_openmpi_lp64 -L/usr/local/lib/ -lfftw3_mpi -lfftw3 $(R_LIBS)
>      FP  FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip
> -DINTEL_VML -DFFTW3 -traceback
>      MP  MPIRUN commando        : mpirun -np _NP_ -machinefile _HOSTS_
> _EXEC_
>
>
> ------------------------------------------------------------------------------------------------------------
>
>  [ogando at bahia:~]$ ifort -V
> Intel(R) Fortran Intel(R) 64 Compiler XE for applications running on
> Intel(R) 64, Version 12.0.3.174 Build 20110309
>
>
>
>
>
>
>
>
> 2013/2/18 Laurence Marks <L-marks at northwestern.edu>
>
>> Has anyone managed to compile the mkl fftw3 versions? I am getting
>>
>> ipo: warning #11021: unresolved fftw_mpi_execute_dft
>> ipo: warning #11021: unresolved fftw_mpi_plan_dft_3d_f03
>> ipo: warning #11021: unresolved fftw_alloc_complex
>> ipo: warning #11021: unresolved fftw_mpi_local_size_3d_f03
>> ipo: warning #11021: unresolved fftw_mpi_init
>>
>> Can't find them in any reasonable library
>>
>> Related, any one with fftw2+mkl?
>>
>> (I have my own compiled fftw3, I just wanted to compare.)
>>
>> --
>> 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
>>
>
>
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