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<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance &amp; scalability</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying &amp; extending LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
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<li class="toctree-l2"><a class="reference internal" href="angle_coeff.html">angle_coeff command</a></li>
<li class="toctree-l2"><a class="reference internal" href="angle_style.html">angle_style command</a></li>
<li class="toctree-l2"><a class="reference internal" href="atom_modify.html">atom_modify command</a></li>
<li class="toctree-l2"><a class="reference internal" href="atom_style.html">atom_style command</a></li>
<li class="toctree-l2"><a class="reference internal" href="balance.html">balance command</a></li>
<li class="toctree-l2"><a class="reference internal" href="bond_coeff.html">bond_coeff command</a></li>
<li class="toctree-l2"><a class="reference internal" href="bond_style.html">bond_style command</a></li>
<li class="toctree-l2"><a class="reference internal" href="bond_write.html">bond_write command</a></li>
<li class="toctree-l2"><a class="reference internal" href="boundary.html">boundary command</a></li>
<li class="toctree-l2"><a class="reference internal" href="box.html">box command</a></li>
<li class="toctree-l2"><a class="reference internal" href="change_box.html">change_box command</a></li>
<li class="toctree-l2"><a class="reference internal" href="clear.html">clear command</a></li>
<li class="toctree-l2"><a class="reference internal" href="comm_modify.html">comm_modify command</a></li>
<li class="toctree-l2"><a class="reference internal" href="comm_style.html">comm_style command</a></li>
<li class="toctree-l2"><a class="reference internal" href="compute.html">compute command</a></li>
<li class="toctree-l2"><a class="reference internal" href="compute_modify.html">compute_modify command</a></li>
<li class="toctree-l2"><a class="reference internal" href="create_atoms.html">create_atoms command</a></li>
<li class="toctree-l2"><a class="reference internal" href="create_bonds.html">create_bonds command</a></li>
<li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
<li class="toctree-l2"><a class="reference internal" href="delete_atoms.html">delete_atoms command</a></li>
<li class="toctree-l2"><a class="reference internal" href="delete_bonds.html">delete_bonds command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dielectric.html">dielectric command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dihedral_coeff.html">dihedral_coeff command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dihedral_style.html">dihedral_style command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dimension.html">dimension command</a></li>
<li class="toctree-l2"><a class="reference internal" href="displace_atoms.html">displace_atoms command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dump.html">dump command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-custom-vtk-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">custom/vtk</span></code> command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-h5md-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">h5md</span></code> command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-image-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">image</span></code> command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-movie-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">movie</span></code> command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dump.html#dump-molfile-command"><code class="docutils literal"><span class="pre">dump</span> <span class="pre">molfile</span></code> command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dump_custom_vtk.html">dump custom/vtk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="dump_image.html#dump-movie-command">dump movie command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dump_modify.html">dump_modify command</a></li>
<li class="toctree-l2"><a class="reference internal" href="dump_molfile.html">dump molfile command</a></li>
<li class="toctree-l2"><a class="reference internal" href="echo.html">echo command</a></li>
<li class="toctree-l2"><a class="reference internal" href="fix.html">fix command</a></li>
<li class="toctree-l2"><a class="reference internal" href="fix_modify.html">fix_modify command</a></li>
<li class="toctree-l2"><a class="reference internal" href="group.html">group command</a></li>
<li class="toctree-l2"><a class="reference internal" href="group2ndx.html">group2ndx command</a></li>
<li class="toctree-l2"><a class="reference internal" href="group2ndx.html#ndx2group-command">ndx2group command</a></li>
<li class="toctree-l2"><a class="reference internal" href="if.html">if command</a></li>
<li class="toctree-l2"><a class="reference internal" href="improper_coeff.html">improper_coeff command</a></li>
<li class="toctree-l2"><a class="reference internal" href="improper_style.html">improper_style command</a></li>
<li class="toctree-l2"><a class="reference internal" href="include.html">include command</a></li>
<li class="toctree-l2"><a class="reference internal" href="info.html">info command</a></li>
<li class="toctree-l2 current"><a class="current reference internal" href="#">jump 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-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
<li class="toctree-l2"><a class="reference internal" href="kspace_style.html">kspace_style command</a></li>
<li class="toctree-l2"><a class="reference internal" href="label.html">label command</a></li>
<li class="toctree-l2"><a class="reference internal" href="lattice.html">lattice command</a></li>
<li class="toctree-l2"><a class="reference internal" href="log.html">log command</a></li>
<li class="toctree-l2"><a class="reference internal" href="mass.html">mass command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_modify.html">min_modify command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style command</a></li>
<li class="toctree-l2"><a class="reference internal" href="minimize.html">minimize command</a></li>
<li class="toctree-l2"><a class="reference internal" href="molecule.html">molecule command</a></li>
<li class="toctree-l2"><a class="reference internal" href="neb.html">neb command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="newton.html">newton command</a></li>
<li class="toctree-l2"><a class="reference internal" href="next.html">next command</a></li>
<li class="toctree-l2"><a class="reference internal" href="package.html">package command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_style.html">pair_style command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_write.html">pair_write command</a></li>
<li class="toctree-l2"><a class="reference internal" href="partition.html">partition command</a></li>
<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="read_restart.html">read_restart command</a></li>
<li class="toctree-l2"><a class="reference internal" href="region.html">region command</a></li>
<li class="toctree-l2"><a class="reference internal" href="replicate.html">replicate command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="set.html">set command</a></li>
<li class="toctree-l2"><a class="reference internal" href="shell.html">shell command</a></li>
<li class="toctree-l2"><a class="reference internal" href="special_bonds.html">special_bonds command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="timer.html">timer command</a></li>
<li class="toctree-l2"><a class="reference internal" href="timestep.html">timestep command</a></li>
<li class="toctree-l2"><a class="reference internal" href="uncompute.html">uncompute command</a></li>
<li class="toctree-l2"><a class="reference internal" href="undump.html">undump command</a></li>
<li class="toctree-l2"><a class="reference internal" href="unfix.html">unfix command</a></li>
<li class="toctree-l2"><a class="reference internal" href="units.html">units command</a></li>
<li class="toctree-l2"><a class="reference internal" href="variable.html">variable command</a></li>
<li class="toctree-l2"><a class="reference internal" href="velocity.html">velocity command</a></li>
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<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"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
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<div class="section" id="jump-command">
<span id="index-0"></span><h1>jump command</h1>
<div class="section" id="syntax">
<h2>Syntax</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">jump</span> <span class="n">file</span> <span class="n">label</span>
</pre></div>
</div>
<ul class="simple">
<li>file = filename of new input script to switch to</li>
<li>label = optional label within file to jump to</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">jump</span> <span class="n">newfile</span>
<span class="n">jump</span> <span class="ow">in</span><span class="o">.</span><span class="n">run2</span> <span class="n">runloop</span>
<span class="n">jump</span> <span class="n">SELF</span> <span class="n">runloop</span>
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description</h2>
<p>This command closes the current input script file, opens the file with
the specified name, and begins reading LAMMPS commands from that file.
Unlike the <a class="reference internal" href="include.html"><span class="doc">include</span></a> command, the original file is not
returned to, although by using multiple jump commands it is possible
to chain from file to file or back to the original file.</p>
<p>If the word &#8220;SELF&#8221; is used for the filename, then the current input
script is re-opened and read again.</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">The SELF option is not guaranteed to work when the current input
script is being read through stdin (standard input), e.g.</p>
</div>
<pre class="literal-block">
lmp_g++ &lt; in.script
</pre>
<p>since the SELF option invokes the C-library rewind() call, which may
not be supported for stdin on some systems or by some MPI
implementations. This can be worked around by using the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-in command-line argument</span></a>, e.g.</p>
<pre class="literal-block">
lmp_g++ -in in.script
</pre>
<p>or by using the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-var command-line argument</span></a> to pass the script name as a
variable to the input script. In the latter case, a
<a class="reference internal" href="variable.html"><span class="doc">variable</span></a> called &#8220;fname&#8221; could be used in place of
SELF, e.g.</p>
<pre class="literal-block">
lmp_g++ -var fname in.script &lt; in.script
</pre>
<p>The 2nd argument to the jump command is optional. If specified, it is
treated as a label and the new file is scanned (without executing
commands) until the label is found, and commands are executed from
that point forward. This can be used to loop over a portion of the
input script, as in this example. These commands perform 10 runs,
each of 10000 steps, and create 10 dump files named file.1, file.2,
etc. The <a class="reference internal" href="next.html"><span class="doc">next</span></a> command is used to exit the loop after 10
iterations. When the &#8220;a&#8221; variable has been incremented for the tenth
time, it will cause the next jump command to be skipped.</p>
<div class="highlight-default"><div class="highlight"><pre><span></span>variable a loop 10
label loop
dump 1 all atom 100 file.$a
run 10000
undump 1
next a
jump in.lj loop
</pre></div>
</div>
<p>If the jump <em>file</em> argument is a variable, the jump command can be
used to cause different processor partitions to run different input
scripts. In this example, LAMMPS is run on 40 processors, with 4
partitions of 10 procs each. An in.file containing the example
variable and jump command will cause each partition to run a different
simulation.</p>
<pre class="literal-block">
mpirun -np 40 lmp_ibm -partition 4x10 -in in.file
</pre>
<div class="highlight-default"><div class="highlight"><pre><span></span>variable f world script.1 script.2 script.3 script.4
jump $f
</pre></div>
</div>
<p>Here is an example of a loop which checks every 1000 steps if the
system temperature has reached a certain value, and if so, breaks out
of the loop to finish the run. Note that any variable could be
checked, so long as it is current on the timestep when the run
completes. As explained on the <a class="reference internal" href="variable.html"><span class="doc">variable</span></a> doc page,
this can be insured by includig the variable in thermodynamic output.</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">variable</span> <span class="n">myTemp</span> <span class="n">equal</span> <span class="n">temp</span>
<span class="n">label</span> <span class="n">loop</span>
<span class="n">variable</span> <span class="n">a</span> <span class="n">loop</span> <span class="mi">1000</span>
<span class="n">run</span> <span class="mi">1000</span>
<span class="k">if</span> <span class="s2">&quot;$</span><span class="si">{myTemp}</span><span class="s2"> &lt; 300.0&quot;</span> <span class="n">then</span> <span class="s2">&quot;jump SELF break&quot;</span>
<span class="nb">next</span> <span class="n">a</span>
<span class="n">jump</span> <span class="n">SELF</span> <span class="n">loop</span>
<span class="n">label</span> <span class="k">break</span>
<span class="nb">print</span> <span class="s2">&quot;ALL DONE&quot;</span>
</pre></div>
</div>
<p>Here is an example of a double loop which uses the if and
<a class="reference internal" href="#"><span class="doc">jump</span></a> commands to break out of the inner loop when a
condition is met, then continues iterating thru the outer loop.</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">label</span> <span class="n">loopa</span>
<span class="n">variable</span> <span class="n">a</span> <span class="n">loop</span> <span class="mi">5</span>
<span class="n">label</span> <span class="n">loopb</span>
<span class="n">variable</span> <span class="n">b</span> <span class="n">loop</span> <span class="mi">5</span>
<span class="nb">print</span> <span class="s2">&quot;A,B = $a,$b&quot;</span>
<span class="n">run</span> <span class="mi">10000</span>
<span class="k">if</span> <span class="s2">&quot;$b &gt; 2&quot;</span> <span class="n">then</span> <span class="s2">&quot;jump SELF break&quot;</span>
<span class="nb">next</span> <span class="n">b</span>
<span class="n">jump</span> <span class="ow">in</span><span class="o">.</span><span class="n">script</span> <span class="n">loopb</span>
<span class="n">label</span> <span class="k">break</span>
<span class="n">variable</span> <span class="n">b</span> <span class="n">delete</span>
<span class="nb">next</span> <span class="n">a</span>
<span class="n">jump</span> <span class="n">SELF</span> <span class="n">loopa</span>
</pre></div>
</div>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<p>If you jump to a file and it does not contain the specified label,
LAMMPS will come to the end of the file and exit.</p>
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
<p><a class="reference internal" href="variable.html"><span class="doc">variable</span></a>, <a class="reference internal" href="include.html"><span class="doc">include</span></a>, <a class="reference internal" href="label.html"><span class="doc">label</span></a>,
<a class="reference internal" href="next.html"><span class="doc">next</span></a></p>
<p><strong>Default:</strong> none</p>
</div>
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<footer>
<div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
<a href="kspace_modify.html" class="btn btn-neutral float-right" title="kspace_modify command" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
<a href="info.html" class="btn btn-neutral" title="info command" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
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