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<p>Thanks for your reply. </p>
<p> </p>
<p>I looked at this guide but I still wonder - can't the deletion of instances of "-fexcess<a></a><a></a>-precision=fast" affect performance? And why is this flag unrecognized? </p>
<p> </p>
<p>Thanks, Efrat<a></a></p>
<p> </p>
<p>>Date: Tue, 31 Jan 2012 21:50:53 +0300<br>
>From: ?????? ?????? <gontchar@gmail.com<a></a><a></a>><br>
>Subject: Re: [gmx<a></a><a></a>-users] Installing GMX-GPU<a></a><a></a> 4.5.5<br>
>To: Discussion list for GROMACS<a></a><a></a> users <gmx-users@gromacs.org<a></a><a></a>><br>
>Message-ID:<br>
<CACFSCubBZRh8rWVs10CMWXicp0yhenB9T3K3y3BMnXFgqVN<a></a><a></a>=eg@mail.gmail.com<a></a><a></a>><br>
>Content-Type: text/plain; charset<a></a><a></a>=UTF<a></a><a></a>-8<br>
<br>
>You should try this:<br>
><a href="http://verahill.blogspot.com/2012/01/debian-testing-64-wheezy-compiling_20.html" target="_blank">http://verahill.blogspot.com/2012/01/debian-testing-64-wheezy-compiling_20.html</a><br>
<br>
>2012/1/31 Efrat<a></a><a></a> Exlrod<a></a><a></a> <Efrat.Exlrod@biu.ac.il<a></a><a></a>>:<br>
>> Hi,<br>
>><br>
>> I'm compiling gromacs<a></a><a></a> 4.5.5 with gcc<a></a><a></a> compiler (v 4.5.3), cmake<a></a><a></a> (2.8.7) and<br>
>> OpenMM<a></a><a></a> 3.1.1 on Linux (Red Hat release 5.7). I have followed the<br>
>> installation instructions.<br>
>><br>
>> The configuration seems to work well.<br>
>><br>
>>> ~/progs<a></a><a></a>/cmake<a></a><a></a>-2.8.7/bin/cmake<a></a><a></a> -DGMX_OPENMM<a></a><a></a>=ON<br>
>>> -DCUDA_TOOLKIT_ROOT_DIR:PATH<a></a><a></a>=/opt/cuda<a></a><a></a><br>
>>> -DCMAKE_C_COMPILER:FILEPATH<a></a><a></a>=/private/gnss<a></a><a></a>/local/bin/gcc<a></a><a></a><br>
>>> -DCMAKE_INSTALL_PREFIX<a></a><a></a>=/private/gnss<a></a><a></a>/Gromacs_455<a></a><a></a><br>
>><br>
>> But, when I run make mdrun<a></a><a></a> I get the following error:<br>
>><br>
>>>make mdrun<a></a><a></a><br>
>> [?? 0%] Building NVCC<a></a><a></a> (Device) object<br>
>> src<a></a><a></a>/kernel/gmx_gpu_utils<a></a><a></a>/./gmx_gpu_utils_generated_memtestG80_core.cu.o<a></a><a></a><br>
>> cc1plus<a></a><a></a>: error: unrecognized command line option "-fexcess<a></a><a></a>-precision=fast"<br>
>> CMake<a></a><a></a> Error at<br>
>> CMakeFiles<a></a><a></a>/gmx_gpu_utils_generated_memtestG80_core.cu.o.cmake:198<a></a><a></a> (message):<br>
>> ?? Error generating<br>
>><br>
>> /private/gnss<a></a><a></a>/Gromacs_Install_455<a></a><a></a>/gromacs<a></a><a></a>-4.5.5/src<a></a><a></a>/kernel/gmx_gpu_utils<a></a><a></a>/./gmx_gpu_utils_generated_memtestG80_core.cu.o<a></a><a></a><br>
>><br>
>><br>
>> make[3]: ***<br>
>> [src<a></a><a></a>/kernel/gmx_gpu_utils<a></a><a></a>/./gmx_gpu_utils_generated_memtestG80_core.cu.o<a></a><a></a>]<br>
>> Error 1<br>
>> make[2]: *** [src<a></a><a></a>/kernel/gmx_gpu_utils<a></a><a></a>/CMakeFiles<a></a><a></a>/gmx_gpu_utils.dir<a></a><a></a>/all]<br>
>> Error 2<br>
>> make[1]: *** [src<a></a><a></a>/kernel/CMakeFiles<a></a><a></a>/mdrun.dir<a></a><a></a>/rule] Error 2<br>
>> make: *** [mdrun<a></a><a></a>] Error 2<br>
>><br>
>> When I run make mdrun<a></a><a></a> after deleting the 2 occurences<a></a><a></a> of<br>
>> "-fexcess<a></a><a></a>-precision=fast" from CMakeCache.txt<a></a><a></a> the compilation works.<br>
>><br>
>> What could be the problem?<br>
>><br>
>> Thanks, Efrat<a></a><a></a><br>
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