What is LAMMPS?
LAMMPS is a classical molecular dynamics (MD) code that models ensembles of particles in a liquid, solid, or gaseous state. It can model atomic, polymeric, biological, solid-state (metals, ceramics, oxides), granular, coarse-grained, or macroscopic systems using a variety of interatomic potentials (force fields) and boundary conditions. It can model 2d or 3d systems with only a few particles up to millions or billions.
LAMMPS can be built and run on a laptop or desktop machine, but is designed for parallel computers. It will run on any parallel machine that supports the MPI message-passing library. This includes shared-memory boxes and distributed-memory clusters and supercomputers.
Atomic-Fluid Lennard-Jones 5.0 Cutoff on V100s SMX2. (All nodes contain Dual Intel Xeon E5-2698 v4 2.2GHz CPUs. Untuned on Volta, running LAMMPS v2017.)
Exxact LAMMPS GPU Systems for Molecular Dynamics
- NVIDIA ELITE PARTNER Exxact Corporation works closely with the NVIDIA team to ensure seamless factory development and support.
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- PRECONFIGURED With example job submission scripts, benchmarks, a fully validated test suite, and the latest software patches for quick implementation
- DO MORE SCIENCE!: Have peace of mind, and focus on what matters most, knowing your system is backed by a 3 year warranty and support
LAMMPS is a highly flexible, highly scalable software suite for molecular dyamics developed by Sandia National Laboratories and according to their website: “LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. It’s a classical molecular dynamics (MD) code. As the name implies, it’s designed to run well on parallel machines, but it also runs fine on single-processor desktop machines.”
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