====== Itensor 3 ====== root@magi3:~# wget https://ftp.gromacs.org/gromacs/gromacs-2022.tar.gz ===== Dependencies ===== * [[openmpi|OpenMPI]] ===== Configure ===== root@magi3:/softs/sources/gromacs-2022# mkdir build && cd build root@magi3:/softs/sources/gromacs-2022/build# cmake .. -DCMAKE_INSTALL_PREFIX=/softs/gromacs-2022 -DGMX_MPI=on -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON ===== Make ===== root@magi3:/softs/sources/gromacs-2022/build# make && make install