Hi, Your problem will likely be solved by not writing the rpath to the binaries which can be accomplished by setting -DCMAKE_SKIP_RPATH=OFF. This will mean that you will have to make sure that the library path is set for mdrun to work.
If that does not fully solve the problem, you might have to build static binaries. Cheers, -- Szilárd On Sat, Apr 20, 2013 at 3:04 AM, Daniel Adriano Silva M <dadri...@gmail.com> wrote: > Dear Gromacs users&devs, > > I just installed gromacs-4.5.7 in a Cray XE6m, the serial installation > went fine, however the mpi installation presents a problem. It > compiles fine, but the "make install" (or make install-mdrun) seems to > have problems copying the executable files to the installation > directory. > > If I run the executable from the compilation directory (for instance: > gromacs-4.5.7/build_mpi/src/kernel/mdrun_mpi), everything seems fine. > > My command(s): > > cmake ../ -DCMAKE_INSTALL_PREFIX=$HOME/PROGRAMS/gromacs-4.5.7-icc-fftw-mpi > -DBUILD_SHARED_LIBS=OFF > -DFFTW3F_INCLUDE_DIR=$HOME/PROGRAMS/fftw-3.3.3-icc/include > -DFFTW3F_LIBRARIES=$HOME/PROGRAMS/fftw-3.3.3-icc/lib/libfftw3f.a > -DGMX_MPI=ON > -DMPI_INCLUDE_PATH="/opt/cray/mpt/5.5.4/gni/mpich2-intel/120/include/" > -DMPI_LIBRARY="/opt/cray/mpt/5.5.4/gni/mpich2-intel/120/lib/libmpich.a;/opt/cray/mpt/5.5.4/gni/mpich2-intel/120/lib/libmpich_intel.a;/opt/cray/mpt/5.5.4/gni/mpich2-intel/120/lib/libmpl.a;/opt/cray/pmi/3.0.1-1.0000.8917.33.1.gem/lib64/libpmi.a" > > > The ERROR: > > CMake Error at src/kernel/cmake_install.cmake:65 (FILE): > file RPATH_CHANGE could not write new RPATH: > > /u/dadriano/PROGRAMS/gromacs-4.5.7-icc-fftw-mpi/lib > > to the file: > > /u/dadriano/PROGRAMS/gromacs-4.5.7-icc-fftw-mpi/bin/mdrun_mpi > > No valid ELF RPATH or RUNPATH entry exists in the file; > Call Stack (most recent call first): > src/cmake_install.cmake:39 (INCLUDE) > cmake_install.cmake:40 (INCLUDE) > > > make: *** [install] Error 1 > > > Any help will be appreciated, > Daniel > -- > 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 -- 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
