The most basic question is: did you install FFTW as root or superuser ? sudo make install
If so, try to provide fftw /lib and /include locations (using CPPFLAGS and LDFLAGS) while configuring GMX. (from the Installation Instructions) setenv CPPFLAGS -I/home/joe/fftw/include setenv LDFLAGS -L/home/joe/fftw/lib If your shell is bash: export CPPFLAGS="-I/home/joe/fftw/include" export LDFLAGS="-L/home/joe/fftw/lib" *If that does not work. Follow cmake instructions. http://www.gromacs.org/Developer_Zone/Cmake ** I have this problem with ubuntu 10.04, even though FFTW is ok I can only Cmake finds fftw. (even providing CPPFLAGS and LDFLAGS) On Mon, Mar 14, 2011 at 1:05 PM, Thomas Koller <koller-tho...@gmx.de> wrote: > Hello, > > I want to install Gromacs 4.5.3 in my computer. Therefore I downloaded fftw > 3.2.2 and did as in the instructions: > > ./configure --enable-float > make > make install > > After that I ran: > > ./configure > > with Gromacs, but I always get: > > checking for fftw3.h... configure: error: Cannot find the default external > FFT library (fftw3). > Other alternatives are 'fftw2', or 'mkl' for Intel MKL. > You are STRONGLY recommended to use one of these - fftw is free. > > make is not working after this: > > make: *** No targets specified and no makefile found. Stop. > > What is going wrong? > > Thomas > -- > Empfehlen Sie GMX DSL Ihren Freunden und Bekannten und wir > belohnen Sie mit bis zu 50,- Euro! https://freundschaftswerbung.gmx.de > -- > 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 > -- Diego Enry B. Gomes Laboratório de Modelagem e Dinamica Molecular Universidade Federal do Rio de Janeiro - Brasil. -- 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
