this is what I do to install gromacs 4.5.5 on fedora 18 fftw libraries
cd fftw-3.3.3_folder ./configure --enable-threads --enable-shared --enable-float --prefix=/usr/local/fftw make make install make clean in this way I install single precision (--enable-float) fftw libraries in /usr/local/fftw (you can put it where you want) be sure to enable shared because gromacs seems need it if you want double precision remove --enable-float gromacs 4.5.5 cd to folder ./configure CPPFLAGS="-I/usr/local/fftw/include" LDFLAGS="-L/usr/localfftw/lib" --with-fft=fftw3 make make install make clean --disable-float for double precision and --enable-mpi if you need mpi remember that fftw and gromacs must have the same precision. hope this helps you cheers Francesco On Fri, 3 May 2013, at 09:39 AM, Souilem Safa wrote: > Dear Gromacs users, > I m aiming to install gromacs 4.5.5 package in in linux Fedora 18. I have > updated the needed compilers and downloaded the fftw-3.3.2.tar.gz and > gromacs4.5.5.tar.gz > > I have followed these commands to install: > $ tar -zxvf fftw-3.3.2/ > $ cd fftw-3.3.2/ > $ ./configure --prefix /home/safa/programs/fftw-3.3.2 --enable-threads > --enable-sse2 --enable-shared > $ make > $ make install > $ cd > $ tar zxvf gromacs-4.5.5.tar.gz > $ cd gromac-4.5.5/ > $../configure --prefix /home/safa/programs/gromacs-4.5.5 > LDFLAGS="-L/home/safa/fftw-3.3.2/lib" > CPPFLAGS="-I/home/safa/programs/fftw-3.3.2/include" --disable-float > When I wrote the last command I got this error. > checking build system type... x86_64-unknown-linux-gnu > checking host system type... x86_64-unknown-linux-gnu > checking for a BSD-compatible install... /usr/bin/install -c > checking whether build environment is sane... yes > checking for a thread-safe mkdir -p... /usr/bin/mkdir -p > checking for gawk... gawk > checking whether make sets $(MAKE)... yes > checking how to create a ustar tar archive... gnutar > checking for cc... cc > checking for C compiler default output file name... a.out > checking whether the C compiler works... yes > checking whether we are cross compiling... no > checking for suffix of executables... > checking for suffix of object files... o > checking whether we are using the GNU C compiler... yes > checking whether cc accepts -g... yes > checking for cc option to accept ISO C89... none needed > checking for style of include used by make... GNU > checking dependency style of cc... gcc3 > checking dependency style of cc... gcc3 > checking how to run the C preprocessor... cc -E > checking for grep that handles long lines and -e... /usr/bin/grep > checking for egrep... /usr/bin/grep -E > checking whether ln -s works... yes > checking whether cc accepts -O3... yes > checking whether cc accepts -msse2... yes > checking whether cc accepts -funroll-all-loops... yes > checking whether cc accepts -std=gnu99... yes > checking whether cc accepts -fexcess-precision=fast... yes > checking whether cc accepts -O3 -fomit-frame-pointer -finline-functions > -Wall -Wno-unused -msse2 -funroll-all-loops -std=gnu99 > -fexcess-precision=fast... yes > checking for ANSI C header files... yes > checking for sys/types.h... yes > checking for sys/stat.h... yes > checking for stdlib.h... yes > checking for string.h... yes > checking for memory.h... yes > checking for strings.h... yes > checking for inttypes.h... yes > checking for stdint.h... yes > checking for unistd.h... yes > checking for unistd.h... (cached) yes > checking sys/time.h usability... yes > checking sys/time.h presence... yes > checking for sys/time.h... yes > checking sched.h usability... yes > checking sched.h presence... yes > checking for sched.h... yes > checking for sysconf... yes > checking for the pthreads library -lpthreads... no > checking whether pthreads work without any flags... no > checking whether pthreads work with -Kthread... no > checking whether pthreads work with -kthread... no > checking for the pthreads library -llthread... no > checking whether pthreads work with -pthread... yes > checking for joinable pthread attribute... PTHREAD_CREATE_JOINABLE > checking if more special flags are required for pthreads... no > checking for cc_r... cc > checking if atomic operations are supported... yes > checking if pthread_setaffinity_np is available... yes > checking whether byte ordering is bigendian... no > checking that size_t can hold pointers... yes > checking for SIGUSR1... yes > checking for pipes... yes > checking floating-point format... IEEE754 (little-endian byte and word > order) > checking whether ln -s works... yes > checking whether make sets $(MAKE)... (cached) yes > checking for a sed that does not truncate output... /usr/bin/sed > checking for ld used by cc ... /usr/bin/ld > checking if the linker (/usr/bin/ld) is GNU ld... yes > checking for /usr/bin/ld option to reload object files... -r > checking for BSD-compatible nm... /usr/bin/nm -B > checking how to recognise dependent libraries... pass_all > checking dlfcn.h usability... yes > checking dlfcn.h presence... yes > checking for dlfcn.h... yes > checking for g++... g++ > checking whether we are using the GNU C++ compiler... yes > checking whether g++ accepts -g... yes > checking dependency style of g++... gcc3 > checking how to run the C++ preprocessor... g++ -E > checking the maximum length of command line arguments... 32768 > checking command to parse /usr/bin/nm -B output from cc object... ok > checking for objdir... .libs > checking for ar... ar > checking for ranlib... ranlib > checking for strip... strip > checking if cc supports -fno-rtti -fno-exceptions... no > checking for cc option to produce PIC... -fPIC > checking if cc PIC flag -fPIC works... yes > checking if cc static flag -static works... no > checking if cc supports -c -o file.o... yes > checking whether the cc linker (/usr/bin/ld -m elf_x86_64) supports > shared > libraries... yes > checking whether -lc should be explicitly linked in... no > checking dynamic linker characteristics... GNU/Linux ld.so > checking how to hardcode library paths into programs... immediate > checking whether stripping libraries is possible... yes > checking for shl_load... no > checking for shl_load in -ldld... no > checking for dlopen... no > checking for dlopen in -ldl... yes > checking whether a program can dlopen itself... yes > checking whether a statically linked program can dlopen itself... yes > checking if libtool supports shared libraries... yes > checking whether to build shared libraries... yes > checking whether to build static libraries... yes > configure: creating libtool > appending configuration tag "CXX" to libtool > checking for ld used by g++... /usr/bin/ld -m elf_x86_64 > checking if the linker (/usr/bin/ld -m elf_x86_64) is GNU ld... yes > checking whether the g++ linker (/usr/bin/ld -m elf_x86_64) supports > shared > libraries... yes > checking for g++ option to produce PIC... -fPIC > checking if g++ PIC flag -fPIC works... yes > checking if g++ static flag -static works... no > checking if g++ supports -c -o file.o... yes > checking whether the g++ linker (/usr/bin/ld -m elf_x86_64) supports > shared > libraries... yes > checking dynamic linker characteristics... GNU/Linux ld.so > checking how to hardcode library paths into programs... immediate > appending configuration tag "F77" to libtool > checking for special C compiler options needed for large files... no > checking for _FILE_OFFSET_BITS value needed for large files... no > checking for _LARGEFILE_SOURCE value needed for large files... no > checking for sqrt in -lm... yes > checking for fftw3.h... yes > checking for main in -lfftw3... no > configure: error: Cannot find fftw3 library > Please can you advise me what should I do to solve this error > thanks > -- > 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 -- Francesco frac...@myopera.com -- 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