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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