[gmx-users] Installing GMX-GPU 4.5.5

[Андрей Гончар]

I dont know exactly, but yesterday I've installed gromacs with this
guide and now everything works fine.

2012/2/1 Efrat Exlrod <Efrat.Exlrod at biu.ac.il>:
> 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: ?????? ?????? <gontchar at gmail.com>
>>Subject: Re: [gmx-users] Installing GMX-GPU 4.5.5
>>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>>Message-ID:
>         <CACFSCubBZRh8rWVs10CMWXicp0yhenB9T3K3y3BMnXFgqVN=eg at 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 <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