Thanks for your reply.
I looked at this guide but I still wonder - can't the deletion of instances of "-fexcess-precision=fast" affect performance? And why is this flag unrecognized? Thanks, Efrat >Date: Tue, 31 Jan 2012 21:50:53 +0300 >From: ?????? ?????? <[email protected]> >Subject: Re: [gmx-users] Installing GMX-GPU 4.5.5 >To: Discussion list for GROMACS users <[email protected]> >Message-ID: <CACFSCubBZRh8rWVs10CMWXicp0yhenB9T3K3y3BMnXFgqVN=e...@mail.gmail.com> >Content-Type: text/plain; charset=UTF-8 >You should try this: >http://verahill.blogspot.com/2012/01/debian-testing-64-wheezy-compiling_20.html >2012/1/31 Efrat Exlrod <[email protected]>: >> 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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