forked from lijiext/lammps
70 lines
2.5 KiB
HTML
70 lines
2.5 KiB
HTML
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<HTML>
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<CENTER><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>
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</CENTER>
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<HR>
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<H3>write_restart command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>write_restart file
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</PRE>
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<UL><LI>file = name of file to write restart information to
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>write_restart restart.equil
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write_restart poly.%.*
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Write a binary restart file of the current state of the simulation.
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See the <A HREF = "read_restart.html">read_restart</A> command for information about
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what is stored in a restart file.
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</P>
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<P>During a long simulation, the <A HREF = "restart.html">restart</A> command is
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typically used to dump restart files periodically. The write_restart
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command is useful after a minimization or whenever you wish to write
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out a single current restart file.
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</P>
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<P>Similar to <A HREF = "dump.html">dump</A> files, the restart filename can contain
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two wild-card characters. If a "*" appears in the filename, it is
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replaced with the current timestep value. If a "%" character appears
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in the filename, then one file is written by each processor and the
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"%" character is replaced with the processor ID from 0 to P-1. An
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additional file with the "%" replaced by "base" is also written, which
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contains global information. For example, the files written for
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filename restart.% would be restart.base, restart.0, restart.1, ...
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restart.P-1. This creates smaller files and can be a fast mode of
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output on parallel machines that support parallel I/O for output.
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</P>
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<P>Restart files can be read by a <A HREF = "read_restart.html">read_restart</A>
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command to restart a simulation from a particular state. Because the
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file is binary (to enable exact restarts), it may not be readable on
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another machine. In this case, the restart2data program in the tools
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directory can be used to convert a restart file to an ASCII data file.
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Both the read_restart commmand and restart2data tool can read in a
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restart file that was written with the "%" character so that multiple
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files were created.
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</P>
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<P><B>Restrictions:</B>
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</P>
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<P>This command requires inter-processor communication to migrate atoms
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before the restart file is written. This means that your system must
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be ready to perform a simulation before using this command (force
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fields setup, atom masses set, etc).
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</P>
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<P><B>Related commands:</B>
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</P>
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<P><A HREF = "restart.html">restart</A>, <A HREF = "read_restart.html">read_restart</A>
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</P>
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<P><B>Default:</B> none
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</P>
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</HTML>
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