[Pw_forum] patch to allow compilation with MKL FFTW3

David Strubbe dstrubbe at berkeley.edu
Thu Apr 21 05:48:10 CEST 2016


Yes I used this flag. However it was not clear from the documentation that
is to be used instead of, rather than in addition to, -D__FFTW3. I guess
that solves the problem, although it is still a surprising choice to have
an apparently unused variable with a name clash.

On Wed, Apr 20, 2016 at 10:37 PM, Yi Wang <wangwy13 at gmail.com> wrote:

> Hi, Dear  David Strubbe,
>
>
> If you use the DFLAG "-D__DFTI" for mkl-fftw, there will be no such
> problem. I encountered this too, because the flag D__FFTW3 worked in QE
> 5.0.3, but then I realized that was just luck. Since the fftw interface
> seems to be systematically improved, it is better to use the more suitable
> flag.
>
> --
> Yi Wang
> Ph.D candidate at Nanjing University of Science and Technology
>
> On Thu, 21 Apr 2016 07:25:15 +0800, David Strubbe <dstrubbe at berkeley.edu>
> wrote:
>
> In trying to compile version 5.3.0 with Intel compilers (version 16.0.0
> 20150815) and Intel MPI, using MKL version 2016.0.109 for FFTW3, I got the
> following error for linking pw.x:
>
> mpiifort  -o pw.x \
>            pwscf.o  libpw.a ../../Modules/libqemod.a
> ../../FFTXlib/libqefft.a ../../flib/ptools.a ../../flib/flib.a
> ../../clib/clib.a ../../iotk/src/libiotk.a -lmkl_scalapack_lp64
> -Wl,--start-group
> /opt/intel/compilers_and_libraries_2016.0.109/linux/mkl/lib/intel64/libmkl_intel_lp64.a
> /opt/intel/compilers_and_libraries_2016.0.109/linux/mkl/lib/intel64/libmkl_sequential.a
> /opt/intel/compilers_and_libraries_2016.0.109/linux/mkl/lib/intel64/libmkl_core.a
> /opt/intel/compilers_and_libraries_2016.0.109/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a
> -Wl,--end-group
> /opt/intel/compilers_and_libraries_2016.0.109/linux/mkl/lib/intel64/libmkl_intel_lp64.a(fftw_version.o):(.rodata+0x0):
> multiple definition of `fftw_version'
> ../../FFTXlib/libqefft.a(fft_stick.o):(.data+0x430): first defined here
> ld: Warning: size of symbol `fftw_version' changed from 8 in
> ../../FFTXlib/libqefft.a(fft_stick.o) to 27 in
> /opt/intel/compilers_and_libraries_2016.0.109/linux/mkl/lib/intel64/libmkl_intel_lp64.a(fftw_version.o)
>
>
> I solved this problem by removing the following three offending lines:
>
> clib/fftw.h:129:extern char *fftw_version;
> FFTXlib/fftw.h:136:extern char *fftw_version;
> FFTXlib/fftw.c:348:char *fftw_version = "FFTW V1.1 ($Id: fftw.c,v 1.3
> 2010-01-26 14:06:59 giannozz Exp $)";
>
> Then compilation and running of pw.x are successful. As far as I can tell,
> those fftw_version lines do not serve any purpose at least for pw, pp, or
> ph, since I do not find this variable being used anywhere else in those
> parts of the code. I recommend the removal of these lines, or if in some
> plugin I have not downloaded the fftw_version is actually used, I suggest
> you rename it to avoid this name clash.
>
> Cheers,
> David Strubbe
> MIT
>
>
>
>
>
>
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