Tuesday, September 20, 2011

/.../libfftw3f.a: could not read symbols: Bad value when compiling Gromacs

If you encounter this error like " /.../libfftw3f.a: could not read symbols: Bad value when compiling Gromacs ", it is likely due to that the compilation of FFTW did not enable shared libraries "--enable-shared" . GROMACS seems to require shared libraries extension from FFTW. So do follow the steps listed in
  1. Installing FFTW
  2. Installing Gromacs 4.0.x on CentOS 5.x
you should have a clean compilation

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