[gmx-users] installing Gromacs with non-standard location of LAM/MPI

[Mark Abraham]

Ivica Res wrote:
> Dear all,
> 
> 

> checking for fftw3.h... yes
> checking for main in -lfftw3f... no
> configure: error: Cannot find fftw3f library.
> 
> Notably, if the --enable-mpi option is skipped, ./configure
> completes successfully.  However, I do need the mpi version.
> 
> Any suggestions how to explain to configure where
> is main in fftw3f ?

You don't have the float version of fftw3 installed. A few months back I 
posted a HOWTO to this mailing list for install GROMACS under cygwin 
that described how to fix this. Please search the archives.

Mark