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 <[email protected]>
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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