Transcription of LAMMPS Features and Capabilities
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LAMMPS Features and Capabilities
LAMMPS Features and CapabilitiesSteve PlimptonSandia National Users and Developers WorkshopInternational Centre for Theoretical Physics (ICTP)March 2014 - Trieste, ItalyPresentation: SAND2014-2239 CClassical MD in a nutshellLAMMPS from 10,000 metersLarge-scale Atomic/Molecular Massively Parallel MD codeOpen source, portable C++3-legged stool: soft matter, solids, mesoscaleParticle simulator at varying length and time scaleselectrons atomistic coarse-grained continuumSpatial-decomposition of simulation domain for parallelismMD, non-equilibrium MD, energy minimizationGPU and OpenMP enhancedCan be coupled to other scales: QM, kMC, FE, CFD, .. LAMMPS from 10,000 metersLarge-scale Atomic/Molecular Massively Parallel MD codeOpen source, portable C++3-legged stool: soft matter, solids, mesoscaleParticle simulator at varying length and time scaleselectrons atomistic coarse-grained continuumSpatial-decomposition of simulation domain for parallelismMD, non-equilibrium MD, energy
1000 1 -0.32494012 0 0.36166587 1.2240503 1282.5239 2000 1 -0.37815616 0 0.30844982 1.0642877 1312.5691..... 25000 1 -0.36649381 0 0.32011217 0.98366691 1451.5444 25000 1 -0.38890426 0 0.29770172 0.95284427 1455.9361 Loop time of 1.76555 on 4 procs for 25000 steps with 769 atoms
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