[gmx-users] trouble with -DGMX_BUILD_OWN_FFTW, crashing in m4?

Jacob Pessin Jacob.Pessin at einstein.yu.edu
Mon Jul 29 23:59:21 CEST 2013

Hi all,

I'm trying to compile 4.6.3 on my desktop, but have running into some issues with FFTW.
Specifically with "-DGMX_BUILD_OWN_FFTW=ON" make seems to crash with M4 (if I'm reading it right)

This is not dpkg install-info anymore, but GNU install-info
See the man page for ginstall-info for command line arguments
Making install in tools
 /usr/bin/install -c fftw-wisdom-to-conf '/home/jacob/Desktop/gromacs-4.6.3/build-cmake/src/contrib/fftw/gmxfftw-prefix/bin'
  /bin/bash ../libtool   --mode=install /usr/bin/install -c fftwf-wisdom '/home/jacob/Desktop/gromacs-4.6.3/build-cmake/src/contrib/fftw/gmxfftw-prefix/bin'
 /usr/bin/install -c -m 644 /home/jacob/Desktop/gromacs-4.6.3/build-cmake/src/contrib/fftw/gmxfftw-prefix/src/gmxfftw/tools/fftw-wisdom-to-conf.1 fftwf-wisdom.1 '/home/jacob/Desktop/gromacs-4.6.3/build-cmake/src/contrib/fftw/gmxfftw-prefix/share/man/man1'
libtool: install: /usr/bin/install -c fftwf-wisdom /home/jacob/Desktop/gromacs-4.6.3/build-cmake/src/contrib/fftw/gmxfftw-prefix/bin/fftwf-wisdom
Making install in m4
[ 57%] Completed 'gmxfftw'
[ 57%] Built target gmxfftw
make: *** [all] Error 2

I've already have an AVX-compiled installed for other uses, building GMX of of that went fine aside from recommendations against using it in both the doc's and the build itself (upto 20% speed reduction, rather not thanks)

Any suggestions, help or pointers, would be greatly appreciated.

the only thing I can think of is create a separate build of FFTW and then direct cmake to use that one.
I was able to build a new FFTW (--enable-sse2),  but couldn't figure out how to get cmake to prefer it over the others.

I hope this is clear,

machine in question
Dell T3600 e5-1650 32gb ram (ECC) with nvidia quadro-600
Xubuntu 13.04 (ubuntu, xfce spin)
M4 ubuntu packaged 1.4.16-5

command variations attempted:
cmake ..-DGMX_GPU=OFF -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_INSTALL_PREFIX=/opt/gromacs4.6.3 2>&1|tee cmakeinitall.txt
 cmake .. -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_INSTALL_PREFIX=/opt/gromacs4.6.3 2>&1|tee cmakeinitall.txt
 cmake .. -DGMX_GPU=ON -DCMAKE_INSTALL_PREFIX=/opt/gromacs4.6.3 -DGMX_BUILD_OWN_FFTW=ON 2>&1|tee cmakeInitall.txt

    All die as above after:
make -j 12
cmake .. -DGMX_GPU=OFF -DCMAKE_INSTALL_PREFIX=/opt/gromacs4.6.3avx
make -j 12
sudo make install

     Runs fine, a full copy of the terminal text for gpu=off fftw=on can be found at:


More information about the gromacs.org_gmx-users mailing list