Homec4science
Diffusion lammps (lammm-master) Browse

lammps/examples/README
6dfa0857880clammm-master

Last Change
Raw File

README
View Options

LAMMPS example problems
Each of these sub-directories contains a sample problem you can run
with LAMMPS. Most are 2d models so that they run quickly, requiring a
few seconds to a few minutes to run on a desktop machine. Each
problem has an input script (in.*) and produces a log file (log.*) and
dump file (dump.*) when it runs. Some use a data file (data.*) of
initial coordinates as additional input.
A few sample log file outputs 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.crack.date.foo.P means it ran on
P processors of machine "foo" with the dated version of LAMMPS. Note
that these problems should get statistically similar answers when run
on different machines or different numbers of processors, but not
identical answers to those in the log of dump files included here.
See the Errors section of the LAMMPS documentation for more
discussion.
The dump files produced by the example runs can be animated using the
xmovie tool described in the Examples section of the LAMMPS
documentation. MPEG versions of most of the xmovie animations are
also viewable from the Examples section of the LAMMPS WWW Site.
These are the sample problems in the various sub-directories:
couple: illustration of how to link to LAMMPS as a library
crack: crack propagation in a 2d solid
flow: Couette and Poisseuille flow in a 2d channel
friction: frictional contact of spherical asperities between 2d surfaces
indent: spherical indenter into a 2d solid
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
obstacle: flow around two voids in a 2d channel
peptide: dynamics of a small solvated peptide chain (5-mer)
pour: pouring of granular particles into a 3d box, then chute flow
rigid: rigid bodies modeled as independent or coupled
shear: sideways shear applied to 2d solid, with and without a void
Here is how you might run and visualize one of the sample problems:
cd indent
cp ../../src/lmp_linux . # copy LAMMPS executable to this dir
lmp_linux < in.indent # run the problem
Running the simulation produces the files dump.indent and log.lammps.
You can visualize the dump file as follows:
../../tools/xmovie/xmovie -scale dump.indent
c4science · Help