[gmx-users] Installing GMX-GPU 4.5.5

[Efrat Exlrod]

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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