[gmx-users] Error in make install "no valid ELF RPATH". Cray XE6m

[Szilárd Páll]

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
<dadriano at 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
> --
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