Sorry, Mark, the problem was in fact in the compilation of fftw. I solved everything by compiling them in the most simple way: ./configure --prefix=whatelse and now everything works fine.
Thank you On 11/16/2010 04:18 PM, Mark Abraham wrote: > > > ----- Original Message ----- > From: Fabio Affinito <[email protected]> > Date: Wednesday, November 17, 2010 1:58 > Subject: [gmx-users] problem linking fftw2 with gromacs 4.5.3 > To: [email protected] > >> 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 [email protected] >> 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 [email protected]. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- ********************************************* 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 [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
