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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