[gmx-users] gromacs installation error

[aiswarya pawar]

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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