"Previous Section"_Section_howto.html - "LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc - "Next Section"_Section_perf.html :c :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :line 7. Example problems :h3 The LAMMPS distribution includes an examples sub-directory with many sample problems. Many are 2d models that run quickly are are straightforward to visualize, requiring at most a couple of minutes to run on a desktop machine. Each problem has an input script (in.*) and produces a log file (log.*) when it runs. Some use a data file (data.*) of initial coordinates as additional input. A few sample log file run on different machines and different numbers of processors are included in the directories to compare your answers to. E.g. a log file like log.date.crack.foo.P means the "crack" example was run on P processors of machine "foo" on that date (i.e. with that version of LAMMPS). Many of the input files have commented-out lines for creating dump files and image files. If you uncomment the "dump"_dump.html command in the input script, a text dump file will be produced, which can be animated by various "visualization programs"_http://lammps.sandia.gov/viz.html. It can also be animated using the xmovie tool described in the "Additional Tools"_Section_tools.html section of the LAMMPS documentation. If you uncomment the "dump image"_dump.html command in the input script, and assuming you have built LAMMPS with a JPG library, JPG snapshot images will be produced when the simulation runs. They can be quickly post-processed into a movie using commands described on the "dump image"_dump_image.html doc page. Animations of many of the examples can be viewed on the Movies section of the "LAMMPS web site"_lws. There are two kinds of sub-directories in the examples dir. Lowercase dirs contain one or a few simple, quick-to-run problems. Uppercase dirs contain up to several complex scripts that illustrate a particular kind of simulation method or model. Some of these run for longer times, e.g. to measure a particular quantity. Lists of both kinds of directories are given below. :line Lowercase directories :h4 accelerate: run with various acceleration options (OpenMP, GPU, Phi) balance: dynamic load balancing, 2d system body: body particles, 2d system colloid: big colloid particles in a small particle solvent, 2d system comb: models using the COMB potential coreshell: core/shell model using CORESHELL package crack: crack propagation in a 2d solid cuda: use of the USER-CUDA package for GPU acceleration deposit: deposit atoms and molecules on a surface dipole: point dipolar particles, 2d system dreiding: methanol via Dreiding FF eim: NaCl using the EIM potential ellipse: ellipsoidal particles in spherical solvent, 2d system flow: Couette and Poiseuille flow in a 2d channel friction: frictional contact of spherical asperities between 2d surfaces hugoniostat: Hugoniostat shock dynamics indent: spherical indenter into a 2d solid kim: use of potentials in Knowledge Base for Interatomic Models (KIM) meam: MEAM test for SiC and shear (same as shear examples) melt: rapid melt of 3d LJ system micelle: self-assembly of small lipid-like molecules into 2d bilayers min: energy minimization of 2d LJ melt msst: MSST shock dynamics nb3b: use of nonbonded 3-body harmonic pair style neb: nudged elastic band (NEB) calculation for barrier finding nemd: non-equilibrium MD of 2d sheared system obstacle: flow around two voids in a 2d channel peptide: dynamics of a small solvated peptide chain (5-mer) peri: Peridynamic model of cylinder impacted by indenter pour: pouring of granular particles into a 3d box, then chute flow prd: parallel replica dynamics of vacancy diffusion in bulk Si python: using embedded Python in a LAMMPS input script qeq: use of the QEQ package for charge equilibration reax: RDX and TATB models using the ReaxFF rigid: rigid bodies modeled as independent or coupled shear: sideways shear applied to 2d solid, with and without a void snap: NVE dynamics for BCC tantalum crystal using SNAP potential srd: stochastic rotation dynamics (SRD) particles as solvent streitz: use of Streitz/Mintmire potential with charge equilibration tad: temperature-accelerated dynamics of vacancy diffusion in bulk Si vashishta: use of the Vashishta potential :tb(s=:) Here is how you can run and visualize one of the sample problems: cd indent cp ../../src/lmp_linux . # copy LAMMPS executable to this dir lmp_linux -in in.indent # run the problem :pre Running the simulation produces the files {dump.indent} and {log.lammps}. You can visualize the dump file of snapshots with a variety of 3rd-party tools highlighted on the "Visualization"_http://lammps.sandia.gov/viz.html page of the LAMMPS web site. If you uncomment the "dump image"_dump_image.html line(s) in the input script a series of JPG images will be produced by the run (assuming you built LAMMPS with JPG support; see "Section start 2.2"_Section_start.html for details). These can be viewed individually or turned into a movie or animated by tools like ImageMagick or QuickTime or various Windows-based tools. See the "dump image"_dump_image.html doc page for more details. E.g. this Imagemagick command would create a GIF file suitable for viewing in a browser. % convert -loop 1 *.jpg foo.gif :pre :line Uppercase directories :h4 ASPHERE: various aspherical particle models, using ellipsoids, rigid bodies, line/triangle particles, etc COUPLE: examples of how to use LAMMPS as a library DIFFUSE: compute diffusion coefficients via several methods ELASTIC: compute elastic constants at zero temperature ELASTIC_T: compute elastic constants at finite temperature KAPPA: compute thermal conductivity via several methods MC: using LAMMPS in a Monte Carlo mode to relax the energy of a system USER: examples for USER packages and USER-contributed commands VISCOSITY: compute viscosity via several methods :tb(s=:) Nearly all of these directories have README files which give more details on how to understand and use their contents. The USER directory has a large number of sub-directories which correspond by name to a USER package. They contain scripts that illustrate how to use the command(s) provided in that package. Many of the sub-directories have their own README files which give further instructions. See the "Section packages"_Section_packages.html doc page for more info on specific USER packages.