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

[Daniel Adriano Silva M]

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