[gmx-users] Installing GMX-GPU 4.5.5

[Efrat Exlrod]

Hi,

I'm compiling gromacs 4.5.5 with gcc compiler (v 4.5.3), cmake (2.8.7) and OpenMM 3.1.1 on Linux (Red Hat release 5.7). I have followed the installation instructions.

The configuration seems to work well.

> ~/progs/cmake-2.8.7/bin/cmake -DGMX_OPENMM=ON -DCUDA_TOOLKIT_ROOT_DIR:PATH=/opt/cuda -DCMAKE_C_COMPILER:FILEPATH=/private/gnss/local/bin/gcc -DCMAKE_INSTALL_PREFIX=/private/gnss/Gromacs_455

But, when I run make mdrun I get the following error:

>make mdrun
[  0%] Building NVCC (Device) object src/kernel/gmx_gpu_utils/./gmx_gpu_utils_generated_memtestG80_core.cu.o
cc1plus: error: unrecognized command line option "-fexcess-precision=fast"
CMake Error at CMakeFiles/gmx_gpu_utils_generated_memtestG80_core.cu.o.cmake:198 (message):
  Error generating
  /private/gnss/Gromacs_Install_455/gromacs-4.5.5/src/kernel/gmx_gpu_utils/./gmx_gpu_utils_generated_memtestG80_core.cu.o


make[3]: *** [src/kernel/gmx_gpu_utils/./gmx_gpu_utils_generated_memtestG80_core.cu.o] Error 1
make[2]: *** [src/kernel/gmx_gpu_utils/CMakeFiles/gmx_gpu_utils.dir/all] Error 2
make[1]: *** [src/kernel/CMakeFiles/mdrun.dir/rule] Error 2
make: *** [mdrun] Error 2

When I run make mdrun after deleting the 2 occurences of "-fexcess-precision=fast" from CMakeCache.txt the compilation works.

What could be the problem?

Thanks, Efrat
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