[gmx-users] problem linking fftw2 with gromacs 4.5.3

[Mark Abraham]

----- Original Message -----
From: Fabio Affinito <f.affinito at cineca.it>
Date: Wednesday, November 17, 2010 1:58
Subject: [gmx-users] problem linking fftw2 with gromacs 4.5.3
To: gmx-users at gromacs.org

> 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?

I'd be looking for errors higher up in the output, where mdlib/libmd_mpi.la got (not) made.

Mark

> 
> 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)
> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at 
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101117/e4be6777/attachment.html>