[gmx-users] Installing GMX-GPU 4.5.5

[Андрей Гончар]

You should try this:
http://verahill.blogspot.com/2012/01/debian-testing-64-wheezy-compiling_20.html

2012/1/31 Efrat Exlrod <Efrat.Exlrod at biu.ac.il>:
> 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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-- 

Андрей Гончар