[gmx-users] Error related to FFTW with enable-mpi option on Mac10.2 dual cpu (gmx3.1.5)

[Erik Lindahl]

Taeho Kim wrote:

>I found that the errors related FFTW with enable-mpi option
>("./configure --enable-thread --enable-float" at gromacs.org) had been
>discussed including FAQ.  I followed through the instructions after
>installing LAM-mpi, but I do not quite understand why I still got the
>same error.
>
>checking for MPI_Init... no
>checking for MPI_Init in -lmpi... no
>configure: error: couldn't find mpi library for --enable-mpi

All the MPI functions are in the library libmpi.a, which is part of LAM.
You'll also need to link with liblam.a.

This should be automatic when you install LAM properly and use the
'mpicc' command. Your problem is that the compiler doesn't find these
libraries. Check your LAM installation instructions and/or www.lam-mpi.org.

Cheers,

Erik