Dear Gromacs user, my intel compiler issue got solved with a combination off autoconfiger and cmake. In a first step, I used autoconfigure for FFTW-3.2.2 and solved my compilation/segfault problems for gromacs-4.5.4 with cmake:
##For FFTW compilation ## ./configure --enable-threads --enable-float --enable-shared --prefix=/usr/fftw-3.2.2/fftw_fertig/ CC=icc F77=ifort CXX=icpc make -j4 make install ##For Gromacs compilation ## export CXX=icpc export CC=icc cmake -D CMAKE_INSTALL_PREFIX=/usr/gromacs_cmake -D FFTW3F_INCLUDE_DIR=/usr/fftw-3.2.2/fftw_fertig/include -D FFTW3F_LIBRARIES=/usr/fftw-3.2.2/fftw_fertig/lib/libfftw3f.a ../gromacs-4.5.4 make -j4 make install ########################## This worked fine for me and might be a solution for some people with similar problems. Thanks for your kind support. M.Kalavera -- 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
