Hi Mark, thanks for the explanation. Anyway, I had this kind of problem only when configuring for the frontend, whilst everything was ok with fftw3 when I configured and compiled for the computation nodes.
Fabio On 09/23/2010 03:20 PM, Mark Abraham wrote: > > > ----- Original Message ----- > From: Fabio Affinito <f.affin...@cineca.it> > Date: Thursday, September 23, 2010 20:54 > Subject: Re: [gmx-users] ffyw3f library not found.. > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > >> On 09/23/2010 12:27 PM, Kamalesh Roy wrote: >> > Dear users >> > >> > I am trying to install Gromacs-4.5 with fftw-3.2.2 in >> Fedora version 9, >> > when I am trying to install the Groamcs >> > after installing fftw it is giving me an error that ftwf >> library not found. >> > >> > Please hep me..... >> > >> > -- >> > Regards >> > Kamalesh Roy >> > >> >> Same problem here. >> Using: >> ./configure --prefix=/bgp/userinternal/cin0644a/gromacs \ >> --enable-ppc-sqrt \ >> --disable-ppc-altivec \ >> --with-fft=fftw3 \ >> --without-x \ >> CFLAGS="-O3 -qarch=auto -qtune=auto" \ >> CC="xlc_r -q64" \ >> CXX="xlC_r -q64" \ >> CXXFLAGS="-O3 -qarch=auto -qtune=auto" \ >> CPPFLAGS="-I/bgp/userinternal/cin0644a/fftwlibs/include" \ >> F77="xlf_r -q64" \ >> FFLAGS="-O3 -qnoprefetch -qarch=auto -qtune=auto" \ >> LDFLAGS="-L/bgp/userinternal/cin0644a/fftwlibs/lib" >> is fine with 4.0.7 but it generates >> checking for main in -lfftw3f... no >> configure: error: Cannot find fftw3f library >> in 4.5.1 >> >> I successfully installed 4.5.1 only using the --with-fft=fftpack > > Don't use that, it will be diabolically slow for PME simulations! > > Unfortunately, the BlueGene-specific GROMACS installation instructions > didn't have the clue that the precision of GROMACS and FFTW has to > match. It does now. > > Presumably both you and the original poster need to install a > single-precision copy of FFTW, or configure a double-precision version > of GROMACS (if you know you need double precision, or don't mind your > simulation being much slower). > > Mark > -- ********************************************* Fabio Affinito, PhD CINECA InterUniversity Computer Center Via Magnanelli, 6/3 Casalecchio di Reno (Bologna) ITALY +39/051/6171794 (Phone) e-mail: f.affin...@cineca.it -- gmx-users mailing list gmx-users@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-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
