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Software · Scientific Computing and Simulation

LAMMPS

Molecular simulation package for materials modeling and particle-based simulations.

Application overview

LAMMPS offers pre-built packages and source builds. Available features differ by platform and build configuration; MPI and accelerator capabilities must be confirmed for the chosen package or cluster build.

Typical use cases

Molecular dynamics and materials simulation.

DeveloperLAMMPS Developers

HPC compatibility

Compatibility details shown here reflect administrator-maintained project information. Review the upstream release documentation against your exact operating system, drivers, accelerator, MPI stack, and cluster policy before deployment.

GPU compatibility is not specified in this directory record.

Installation instructions

Commands are project-specific notes. Confirm prerequisites and linked upstream instructions for your own release and system. Do not run administrative commands without review.

Linux / macOS; conda environment

Install using Conda

Prerequisites: Conda or Mamba configured with conda-forge access

conda install -c conda-forge lammps

Installs the conda-forge LAMMPS package; exact optional features depend on the built package.

Verify: lmp -help

Review: For MPI, GPU, or specialized packages, inspect the selected build and follow the official versioned installation guide.

Documentation for these steps ↗

Upstream references

Link details last reviewed 2026-10-12 by MCR Tech. Project versions, licenses, hardware behavior, and hosted model access can change; follow current upstream terms.

Report a broken link or incorrect guide

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