gromacs2022

Table of Contents

Itensor 3

Itensor 3

 root@magi3:~# wget https://ftp.gromacs.org/gromacs/gromacs-2022.tar.gz

Dependencies

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

gromacs2022.txt · Last modified: 2022/04/04 19:21 by nico