Blog

News
Model Particles in Liquid, Solid, or Gaseous States Using LAMMPS Certified GPU Systems
October 16, 2018
10 min read
flippase_membrane_tube_R30_L201.6_2site_t865frames_occ.png

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.

LAMMPS Benchmarks

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.
  • FULLY CUSTOMIZABLE Offering a wide range of customizable options from workstations to clusters to meet your budget, starting at $4,999.
  • PLUG AND PLAY Exxact systems are fully turnkey, built to perform right out of the box so you avoid the drudgery of configuration and setup.
  • HIGH PERFORMANCE NVIDIA hardware, featuring Tesla V100, GTX 1080ti, or Quadro GV100's to overcome your most demanding MD challenges
  • 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

In Summary

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."

Interested in GPU accelerated systems for LAMMPS? Check out our latest Exxact LAMMPS GPU Systems here!

Or have any questions? Contact us directly here.

Free Resources

Browse our whitepapers, e-books, case studies, and reference architecture.

Explore

Topics

flippase_membrane_tube_R30_L201.6_2site_t865frames_occ.png
News
Model Particles in Liquid, Solid, or Gaseous States Using LAMMPS Certified GPU Systems
October 16, 2018 10 min read

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.

LAMMPS Benchmarks

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.
  • FULLY CUSTOMIZABLE Offering a wide range of customizable options from workstations to clusters to meet your budget, starting at $4,999.
  • PLUG AND PLAY Exxact systems are fully turnkey, built to perform right out of the box so you avoid the drudgery of configuration and setup.
  • HIGH PERFORMANCE NVIDIA hardware, featuring Tesla V100, GTX 1080ti, or Quadro GV100's to overcome your most demanding MD challenges
  • 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

In Summary

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."

Interested in GPU accelerated systems for LAMMPS? Check out our latest Exxact LAMMPS GPU Systems here!

Or have any questions? Contact us directly here.

Free Resources

Browse our whitepapers, e-books, case studies, and reference architecture.

Explore

Topics