I received this answer: Mark Abraham Mon, 03 Jun 2013 08:02:56 -0700
That looks like there's a PGI compiler getting used at some point (perhaps the internal FFTW build is picking up the CC environment var? I forget how that gets its compiler!). If you do find * -name config.log then perhaps you can see in that file what the FFTW build thinks about its compiler. Mark I found the config.log file and checked that the compiler being used to compile the internal FFTW is the same version of gcc that is used to compile the rest of Gromacs. In fact, I set the environment variable CC to gcc. I also tried to clean and compile from scratch the FFTW, but no success. I also tried to specify with the environment variable CMAKE_LIBRARY_PATH where the FFTW library is (in my case in gromacs-4.6/src/contrib/fftw/gmxfftw-prefix/lib), but I obtained the same error. Any other idea? Thanks -- View this message in context: http://gromacs.5086.x6.nabble.com/gmx-4-6-mpi-installation-through-openmpi-tp5006975p5008782.html Sent from the GROMACS Users Forum mailing list archive at Nabble.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