lammps
This is a docker container that runs a standard install of [LAMMPS] with MPI support.
Packages
The install is compiled with the following packages
- standard
- no-compress
- no-gpu
- no-kim
- no-kokkos
- no-voronoi
The excluded packages are excluded due to the more complicated install of the extra libraries required to install them.
Running
Opening a shell to the container can be done using the command
docker run -ti -v $(pwd):/srv/input -v $HOME/scratch:/srv/scratch malramsay/lammps