Difference between revisions of "Benchmarking: Gromacs-4.6"
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wget ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.tar.gz | wget ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.tar.gz | ||
| − | == | + | ==Build== |
module load cmake/2.8.10.2 | module load cmake/2.8.10.2 | ||
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
Build
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