I dont know exactly, but yesterday I've installed gromacs with this guide and now everything works fine.
2012/2/1 Efrat Exlrod <efrat.exl...@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: ?????? ?????? <gontc...@gmail.com> >>Subject: Re: [gmx-users] Installing GMX-GPU 4.5.5 >>To: Discussion list for GROMACS users <gmx-users@gromacs.org> >>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 <efrat.exl...@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 > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Андрей Гончар -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
