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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| − | Requirements | + | ==Requirements== |
| − | cmake 2.8 | + | # cmake 2.8 |
| − | Download | + | ==Download== |
| + | wget ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.tar.gz | ||
| − | Make | + | ==Make== |
| − | module load cmake/2.8.10.2 | + | module load cmake/2.8.10.2 |
| − | module load cuda/5.0 | + | module load cuda/5.0 |
| − | cmake ../gromacs-4.6 -DGMX_GPU=ON -DGMX_BUILD_OWN_FFTW=ON \ | + | cmake ../gromacs-4.6 -DGMX_GPU=ON -DGMX_BUILD_OWN_FFTW=ON \ |
-DCUDA_TOOLKIT_ROOT_DIR=/shared/apps/cuda/cuda-5.0 \ | -DCUDA_TOOLKIT_ROOT_DIR=/shared/apps/cuda/cuda-5.0 \ | ||
-DLIB_INSTALL_DIR=/shared/apps/cuda/gromacs/4.6/lib \ | -DLIB_INSTALL_DIR=/shared/apps/cuda/gromacs/4.6/lib \ | ||
| − | -DCMAKE_INSTALL_PREFIX=/ | + | -DCMAKE_INSTALL_PREFIX=/shared/apps/cuda/gromacs/4.6 |
| − | make -j 24 | + | make -j 24 |
Revision as of 06:43, 22 February 2013
Requirements
- cmake 2.8
Download
wget ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.tar.gz
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=/shared/apps/cuda/gromacs/4.6
make -j 24