Difference between revisions of "Benchmarking: Gromacs-4.6"
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(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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Revision as of 06:27, 22 February 2013
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