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<div class="lammps_version">Version: <b>19 Nov 2024</b></div>
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<li class="toctree-l2"><a class="reference internal" href="write_coeff.html">write_coeff command</a></li>
<li class="toctree-l2"><a class="reference internal" href="write_data.html">write_data command</a></li>
<li class="toctree-l2"><a class="reference internal" href="write_dump.html">write_dump command</a></li>
<li class="toctree-l2 current"><a class="current reference internal" href="#">write_restart command</a><ul>
<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
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<li class="toctree-l1"><a class="reference internal" href="fix_modify_atc_commands.html">fix_modify AtC commands</a></li>
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<p><span class="math notranslate nohighlight">\(\renewcommand{\AA}{\text{Å}}\)</span></p>
<section id="write-restart-command">
<span id="index-0"></span><h1>write_restart command<a class="headerlink" href="#write-restart-command" title="Link to this heading"></a></h1>
<section id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Link to this heading"></a></h2>
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">write_restart </span><span class="nv nv-Identifier">file</span><span class="w"> </span><span class="n">keyword</span><span class="w"> </span><span class="n">value</span><span class="w"> </span><span class="n">...</span>
</pre></div>
</div>
<ul>
<li><p>file = name of file to write restart information to</p></li>
<li><p>zero or more keyword/value pairs may be appended</p></li>
<li><p>keyword = <em>fileper</em> or <em>nfile</em></p>
<pre class="literal-block"><em>fileper</em> arg = Np
Np = write one file for every this many processors
<em>nfile</em> arg = Nf
Nf = write this many files, one from each of Nf processors</pre>
</li>
</ul>
</section>
<section id="examples">
<h2>Examples<a class="headerlink" href="#examples" title="Link to this heading"></a></h2>
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">write_restart </span><span class="nv nv-Identifier">restart.equil</span>
<span class="k">write_restart </span><span class="nv nv-Identifier">poly.</span><span class="o">%</span><span class="n">.</span><span class="o">*</span><span class="w"> </span><span class="n">nfile</span><span class="w"> </span><span class="m">10</span>
</pre></div>
</div>
</section>
<section id="description">
<h2>Description<a class="headerlink" href="#description" title="Link to this heading"></a></h2>
<p>Write a binary restart file of the current state of the simulation.</p>
<p>During a long simulation, the <a class="reference internal" href="restart.html"><span class="doc">restart</span></a> command is
typically used to output restart files periodically. The
write_restart command is useful after a minimization or whenever you
wish to write out a single current restart file.</p>
<p>Similar to <a class="reference internal" href="dump.html"><span class="doc">dump</span></a> files, the restart filename can contain
two wild-card characters. If a “*” appears in the filename, it is
replaced with the current timestep value. If a “%” character appears
in the filename, then one file is written by each processor and the
“%” character is replaced with the processor ID from 0 to P-1. An
additional file with the “%” replaced by “base” is also written, which
contains global information. For example, the files written for
filename restart.% would be restart.base, restart.0, restart.1, …
restart.P-1. This creates smaller files and can be a fast mode of
output and subsequent input on parallel machines that support parallel
I/O. The optional <em>fileper</em> and <em>nfile</em> keywords discussed below can
alter the number of files written.</p>
<p>Restart files can be read by a <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a>
command to restart a simulation from a particular state. Because the
file is binary (to enable exact restarts), it may not be readable on
another machine. In this case, you can use the <a class="reference internal" href="Run_options.html"><span class="doc">-r command-line
switch</span></a> to convert a restart file to a data file.</p>
<div class="admonition note">
<p class="admonition-title">Note</p>
<p>Although the purpose of restart files is to enable restarting a
simulation from where it left off, not all information about a
simulation is stored in the file. For example, the list of fixes
that were specified during the initial run is not stored, which
means the new input script must specify any fixes you want to use.
Even when restart information is stored in the file, as it is for
some fixes, commands may need to be re-specified in the new input
script, in order to re-use that information. Details are usually
given in the documentation of the respective command. Also, see the
<a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a> command for general information
about what is stored in a restart file.</p>
</div>
<hr class="docutils" />
<p>The optional <em>nfile</em> or <em>fileper</em> keywords can be used in conjunction
with the “%” wildcard character in the specified restart file name.
As explained above, the “%” character causes the restart file to be
written in pieces, one piece for each of P processors. By default P =
the number of processors the simulation is running on. The <em>nfile</em> or
<em>fileper</em> keyword can be used to set P to a smaller value, which can
be more efficient when running on a large number of processors.</p>
<p>The <em>nfile</em> keyword sets P to the specified Nf value. For example, if
Nf = 4, and the simulation is running on 100 processors, 4 files will
be written, by processors 0,25,50,75. Each will collect information
from itself and the next 24 processors and write it to a restart file.</p>
<p>For the <em>fileper</em> keyword, the specified value of Np means write one
file for every Np processors. For example, if Np = 4, every fourth
processor (0,4,8,12,etc) will collect information from itself and the
next 3 processors and write it to a restart file.</p>
</section>
<hr class="docutils" />
<section id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Link to this heading"></a></h2>
<p>This command requires inter-processor communication to migrate atoms
before the restart file is written. This means that your system must
be ready to perform a simulation before using this command (force
fields setup, atom masses initialized, etc).</p>
</section>
<section id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Link to this heading"></a></h2>
<p><a class="reference internal" href="restart.html"><span class="doc">restart</span></a>, <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a>,
<a class="reference internal" href="write_data.html"><span class="doc">write_data</span></a></p>
</section>
<section id="default">
<h2>Default<a class="headerlink" href="#default" title="Link to this heading"></a></h2>
<p>none</p>
</section>
</section>
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