[gmx-users] problem linking fftw2 with gromacs 4.5.3

[Fabio Affinito]

Hi folks,
I'm experiencing some problem when I try to compile gromacs 4.5.3
linking fftw.
This is the configure:
> ./configure --prefix=/bgp/userinternal/cin0644a/gromacs.453 \
>               --host=ppc --build=ppc64 --enable-ppc-sqrt=1 \
>               --disable-ppc-altivec \
>               --enable-bluegene --enable-mpi --with-fft=fftw2 \
>               --program-suffix=_mpi_bg_dp \
>               --without-x \
>              CC=mpixlc_r \
>              CFLAGS="-O3 -qarch=450d -qtune=450" \
>              MPICC=mpixlc_r CXX=mpixlC_r \
>              CXXFLAGS="-O3 -qarch=450d -qtune=450" \
>              CPPFLAGS="-I/bgp/userinternal/cin0644a/fftw2/include" \
>              F77=mpixlf77_r FFLAGS="-O3 -qarch=auto -qtune=auto" \
>              LDFLAGS="-L/bgp/userinternal/cin0644a/fftw2/lib" 

This is the error during the make
> mkdir .libs
> libtool: link: cannot find the library `../mdlib/libmd_mpi.la' or unhandled argument `../mdlib/libmd_mpi.la'
> make[1]: *** [libgmxpreprocess_mpi.la] Error 1
> make[1]: Leaving directory `/bgp/userinternal/cin0644a/gromacs-4.5.3/src/kernel'

The directory /lib:

> libfftw.a   libfftw_threads.a   librfftw.a   librfftw_threads.a
> libfftw.la  libfftw_threads.la  librfftw.la  librfftw_threads.la

The directory /include:

> fftw.h  fftw_threads.h  rfftw.h  rfftw_threads.h

Do you have any hint?

Thanks in advance,

Fabio



-- 
*********************************************
Fabio Affinito, PhD
CINECA
SuperComputing Applications and Innovation Department - SCAI
Via Magnanelli, 6/3
40033 Casalecchio di Reno (Bologna) ITALY
+39/051/6171794 (Phone)