Attention
GPU users: GPU nodes run EL9, while this documentation still reflects the EL7 software stack.
Run module avail on an EL9 login node, or within an interactive session on the relevant GPU type, to see the software available.
The documentation will be updated once all nodes have migrated to EL9.
LAMMPS
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality.
Note
This is an autogenerated page, more detail including examples may be available for this package. Please see the first section of Software on Stanage
After connecting to Stanage (see Establishing a SSH connection), start an interactive session with the following command:
srun --pty bash -i
A version of LAMMPS can then be made available with one of the following:
module load LAMMPS/3Mar2020-foss-2020a-Python-3.8.2-kokkos
module load LAMMPS/3Mar2020-intel-2020a-Python-3.8.2-kokkos
Notes
LAMMPS was installed using Easybuild, build details can be found in $EBROOTLAMMPS/easybuild with a given module loaded.