Problem solved issue with double and single precision versions of gromacs and fftw.
Ramon On Tue, Jan 24, 2012 at 2:16 PM, Jose Tusell <[email protected]> wrote: > Hi All, > > I've installed fftw-3.3 on my computer when I try to install GROMACS I run > into problems. > > A little information: > > Here are the values for LDFLAGS and CPPFLAGS > > echo $LDFLAGS > -L/home/ramone/mygromacs/lib > > The content of this directory is the following: > > libfftw3f.a libfftw3f.la* pkgconfig/ > > echo $CPPFLAGS > -I/home/ramone/mygromacs/include > > The content of this directory is the following: > > fftw3.f fftw3.f03 fftw3.h > > here is the command I use inside the gromacs-4.5.5 directory > > ./configure --prefix=$SOFT --with-gsl --disable-float --with-qmmm-orca > --without-qmmm-gaussian --disable-shared > > I get the following error > > checking for sqrt in -lm... yes > checking for fftw3.h... yes > checking for main in -lfftw3... no > configure: error: Cannot find fftw3 library > > > Any help would be greatly appreciated. > > Ramon >
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