Benchmarking: Gromacs-4.6

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Revision as of 06:27, 22 February 2013 by Roshan (talk | contribs) (Created page with "Requirements cmake 2.8 Download Make module load cmake/2.8.10.2 module load cuda/5.0 cmake ../gromacs-4.6 -DGMX_GPU=ON -DGMX_BUILD_OWN_FFTW=ON \ -DCUDA_TOOLKIT_ROO...")

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Requirements

cmake 2.8

Download

Make

module load cmake/2.8.10.2 module load cuda/5.0

cmake ../gromacs-4.6 -DGMX_GPU=ON -DGMX_BUILD_OWN_FFTW=ON \

     -DCUDA_TOOLKIT_ROOT_DIR=/shared/apps/cuda/cuda-5.0 \
     -DLIB_INSTALL_DIR=/shared/apps/cuda/gromacs/4.6/lib \
     -DCMAKE_INSTALL_PREFIX=/home/roshan/apps/Gromacs-4.6

make -j 24

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