rohitfarmer/gromacs.md

Created February 5, 2019 01:30

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Gromacs

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Gromacs 2019 installation on Dell (14 7000)

tar xfz gromacs-2019.tar.gz
cd gromacs-2019
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda -DCMAKE_INSTALL_PREFIX=/home/rohit/bin/gromacs/gromacs-2019
make
make check
make install
source /home/rohit/bin/gromacs/gromacs-2019/bin/GMXRC

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