2006-09-22 00:22:34 +08:00
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<CENTER><A HREF = "Section_howto.html">Previous Section</A> - <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> - <A HREF = "Section_perf.html">Next Section</A>
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<HR>
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2011-08-26 00:17:31 +08:00
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<H3>7. Example problems
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</H3>
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<P>The LAMMPS distribution includes an examples sub-directory with
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several sample problems. Each problem is in a sub-directory of its
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own. Most are 2d models so that they run quickly, requiring at most a
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couple of minutes to run on a desktop machine. Each problem has an
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input script (in.*) and produces a log file (log.*) and dump file
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(dump.*) when it runs. Some use a data file (data.*) of initial
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coordinates as additional input. A few sample log file outputs on
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different machines and different numbers of processors are included in
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the directories to compare your answers to. E.g. a log file like
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log.crack.foo.P means it ran on P processors of machine "foo".
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</P>
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<P>The dump files produced by the example runs can be animated using the
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2007-06-23 07:41:35 +08:00
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xmovie tool described in the <A HREF = "Section_tools.html">Additional Tools</A>
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section of the LAMMPS documentation. Animations of many of these
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examples can be viewed on the Movies section of the <A HREF = "http://lammps.sandia.gov">LAMMPS WWW
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Site</A>.
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2006-09-22 00:22:34 +08:00
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</P>
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<P>These are the sample problems in the examples sub-directories:
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</P>
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2010-05-14 23:10:38 +08:00
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<DIV ALIGN=center><TABLE BORDER=1 >
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<TR><TD >body</TD><TD > body particles, 2d system</TD></TR>
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<TR><TD >colloid</TD><TD > big colloid particles in a small particle solvent, 2d system</TD></TR>
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<TR><TD >comb</TD><TD > models using the COMB potential</TD></TR>
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<TR><TD >crack</TD><TD > crack propagation in a 2d solid</TD></TR>
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<TR><TD >dipole</TD><TD > point dipolar particles, 2d system</TD></TR>
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<TR><TD >dreiding</TD><TD > methanol via Dreiding FF</TD></TR>
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<TR><TD >eim</TD><TD > NaCl using the EIM potential</TD></TR>
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<TR><TD >ellipse</TD><TD > ellipsoidal particles in spherical solvent, 2d system</TD></TR>
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2008-03-01 09:13:20 +08:00
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<TR><TD >flow</TD><TD > Couette and Poiseuille flow in a 2d channel</TD></TR>
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<TR><TD >friction</TD><TD > frictional contact of spherical asperities between 2d surfaces</TD></TR>
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<TR><TD >gpu</TD><TD > use of the GPU package for GPU acceleration</TD></TR>
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<TR><TD >hugoniostat</TD><TD > Hugoniostat shock dynamics</TD></TR>
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<TR><TD >indent</TD><TD > spherical indenter into a 2d solid</TD></TR>
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<TR><TD >kim</TD><TD > use of potentials in Knowledge Base for Interatomic Models (KIM)</TD></TR>
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<TR><TD >line</TD><TD > line segment particles in 2d rigid bodies</TD></TR>
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<TR><TD >meam</TD><TD > MEAM test for SiC and shear (same as shear examples)</TD></TR>
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<TR><TD >melt</TD><TD > rapid melt of 3d LJ system</TD></TR>
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<TR><TD >micelle</TD><TD > self-assembly of small lipid-like molecules into 2d bilayers</TD></TR>
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<TR><TD >min</TD><TD > energy minimization of 2d LJ melt</TD></TR>
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<TR><TD >msst</TD><TD > MSST shock dynamics</TD></TR>
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<TR><TD >neb</TD><TD > nudged elastic band (NEB) calculation for barrier finding</TD></TR>
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<TR><TD >nemd</TD><TD > non-equilibrium MD of 2d sheared system</TD></TR>
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<TR><TD >obstacle</TD><TD > flow around two voids in a 2d channel</TD></TR>
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<TR><TD >peptide</TD><TD > dynamics of a small solvated peptide chain (5-mer)</TD></TR>
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<TR><TD >peri</TD><TD > Peridynamic model of cylinder impacted by indenter</TD></TR>
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<TR><TD >pour</TD><TD > pouring of granular particles into a 3d box, then chute flow</TD></TR>
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<TR><TD >prd</TD><TD > parallel replica dynamics of vacancy diffusion in bulk Si</TD></TR>
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<TR><TD >reax</TD><TD > RDX and TATB models using the ReaxFF</TD></TR>
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<TR><TD >rigid</TD><TD > rigid bodies modeled as independent or coupled</TD></TR>
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<TR><TD >shear</TD><TD > sideways shear applied to 2d solid, with and without a void</TD></TR>
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<TR><TD >srd</TD><TD > stochastic rotation dynamics (SRD) particles as solvent</TD></TR>
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<TR><TD >tad</TD><TD > temperature-accelerated dynamics of vacancy diffusion in bulk Si</TD></TR>
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<TR><TD >tri</TD><TD > triangular particles in rigid bodies
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</TD></TR></TABLE></DIV>
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<P>Here is how you might run and visualize one of the sample problems:
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</P>
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<PRE>cd indent
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cp ../../src/lmp_linux . # copy LAMMPS executable to this dir
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lmp_linux < in.indent # run the problem
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</PRE>
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<P>Running the simulation produces the files <I>dump.indent</I> and
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<I>log.lammps</I>. You can visualize the dump file as follows:
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</P>
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<PRE>../../tools/xmovie/xmovie -scale dump.indent
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</PRE>
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2010-09-07 01:21:53 +08:00
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<HR>
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<P>There is also an ELASTIC directory with an example script for
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computing elastic constants, using a zero temperature Si example. See
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the in.elastic file for more info.
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</P>
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2010-09-07 00:56:31 +08:00
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<P>There is also a USER directory which contains subdirectories of
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user-provided examples for user packages. See the README files in
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2010-09-07 01:21:53 +08:00
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those directories for more info. See the doc/Section_start.html file
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for more info about user packages.
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2006-09-22 00:22:34 +08:00
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</P>
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</HTML>
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