The Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a classical molecular dynamics code designed for high-performance simulation of large atomistic systems. LAMMPS generally scales well on OSC platforms, provides a variety of modeling techniques, and offers GPU accelerated computation.
Availability and Restrictions
Versions
LAMMPS is available on all clusters. The following versions are currently installed at OSC:
| Version | Pitzer | Ascend | Cardinal |
|---|---|---|---|
| 22Aug18 | PC | ||
| 5Jun19 | PC | ||
| 3Mar20 | PC* | ||
| 29Oct20 | PC | ||
| 29Sep2021.3 | PC | PC* | |
| 20220623.1 | PC | ||
| 20230802.3 | PC |
* Current default version; S = serial executables; P = parallel; C = CUDA
* IMPORTANT NOTE: You must load the correct compiler and MPI modules before you can load LAMMPS. To determine which modules you need, use
module spider lammps/{version}. Some LAMMPS versions are available with multiple compiler versions and MPI versions; in general, we recommend using the latest versions. (In particular, mvapich2/2.3.2 is recommended over 2.3.1 and 2.3; see the known issue.You can use module spider lammps to view available modules for a given machine. Feel free to contact OSC Help if you need other versions for your work.
Access
LAMMPS is available to all OSC users. If you have any questions, please contact OSC Help.
Publisher/Vendor/Repository and License Type
Sandia National Lab., Open source
Usage
Usage on Pitzer
Further Reading
Service:
Fields of Science:
