Hi Gromacs users,
Am trying to install gromacs-4.5.5 version on IBM cluster with Linux platform and am getting an error such as configure: error: Cannot find fftw3f library. The steps i followed- Installed fftw-3.3 version ./configure --enable-threads --enable-float make make install setenv CPPFLAGS -I/home/fftw/include setenv LDFLAGS -L/home/fftw/lib In gromacs-4.5.5 directory ./configure --enable-mpi --program-suffix=_mpi --with-fft=fftw3 in this i got the error. please help. Thanks, Aiswarya
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