Any GROMACS installation with GPU скачать в хорошем качестве

Any GROMACS installation with GPU

GROMACS is a open source molecular dynamic simulation tool. GPU is a Graphical Processing Unit. It helps in vector calculation and enhances the GROMACS performance by calculating the non-bonding interactions. GPU is a hardware not a software, so it is bought by spending hard earned money. Its driver can be downloaded and installed. CUDA helps GROMACS by computing the calculation on GPU. CMake is a compilation tool, it compiles all the required files before the actual installation. https://developer.nvidia.com/cuda-dow... sudo apt-get install cmake tar xfz gromacs-2019.6.tar.gz cd gromacs-2019.6 mkdir build cd build cmake .. -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_BUILD_TYPE=Release -DGMX_BUILD_UNITTESTS=ON -DGMX_PREFER_STATIC_LIBS=ON -DGMX_BUILD_SHARED_EXE=OFF -DGMX_X11=OFF -DGMX_EXTERNAL_BLAS=OFF -DGMX_EXTERNAL_LAPACK=OFF -DGMX_SIMD=NONE -DGMX_GPU=CUDA make -j4 make check sudo make install -j4 source /usr/local/gromacs/bin/GMXRC