Implementing molecular dynamics on hybrid high performance computers-short range forces
DOI10.1016/J.CPC.2010.12.021zbMATH Open1221.82008OpenAlexW2168363974MaRDI QIDQ634064FDOQ634064
Steven J. Plimpton, W. Michael Brown, Peng Wang, Arnold N. Tharrington
Publication date: 2 August 2011
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2010.12.021
GPUmolecular dynamics\texttt{CUDA}\texttt{OpenCL}hybrid parallel computingmolecular dynamics package \texttt{LAMMPS}
Parallel numerical computation (65Y05) Numerical algorithms for specific classes of architectures (65Y10)
Cites Work
- Fast parallel algorithms for short-range molecular dynamics
- A new version of the fast multipole method for screened Coulomb interactions in three dimensions
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- Cohesion
- Bioinformatics and computational biology. First international conference, BICoB 2009, New Orleans, LA, USA, April 8--10, 2009. Proceedings
Cited In (13)
- Arrested coarsening and large density fluctuations in driven particle mixtures in two dimensions
- On the equivalence of the two foundational formulations for atomistic flux in inhomogeneous transport processes
- GPU-based molecular dynamics of turbulent liquid flows with OpenMM
- Develop a molecular dynamics approach to simulate the single-/multi-layer CsGeX\(_3\) (X = I, Cl, and Br) perovskite stress-strain structure at different temperatures and pressures for solar cell in building energy management
- High performance computing in multiscale problems of gas dynamics
- Fast multipole method for 3-D Poisson-Boltzmann equation in layered electrolyte-dielectric media
- Efficient implementation of the many-body reactive bond order (REBO) potential on GPU
- Massively parallel Monte Carlo for many-particle simulations on GPUs
- A fast mollified impulse method for biomolecular atomistic simulations
- A cross-platform, high-performance SPH toolkit for image-based flow simulations on the pore scale of porous media
- LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
- Effect of initial temperature and pressure on thermal behavior of ethanol/oxygen fuel mixture with shock wave by molecular dynamics simulation
- A GPU-based large-scale Monte Carlo simulation method for systems with long-range interactions
Uses Software
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