ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity
Files
edca6eb4dbf98a7d8853bf04cbce2331bf25d7c2
lammps/doc/html/info.html
Barak Hirshberg edca6eb4db this is a lost cause
2025-01-13 14:55:48 +00:00

404 lines
29 KiB
HTML
Raw Blame History

<!DOCTYPE html>
<html class="writer-html5" lang="en" >
<head>
<meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>info command &mdash; LAMMPS documentation</title>
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
<link rel="stylesheet" href="_static/sphinx-design.min.css" type="text/css" />
<link rel="stylesheet" href="_static/css/lammps.css" type="text/css" />
<link rel="shortcut icon" href="_static/lammps.ico"/>
<link rel="canonical" href="https://docs.lammps.org/info.html" />
<!--[if lt IE 9]>
<script src="_static/js/html5shiv.min.js"></script>
<![endif]-->
<script src="_static/jquery.js?v=5d32c60e"></script>
<script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
<script src="_static/documentation_options.js?v=5929fcd5"></script>
<script src="_static/doctools.js?v=9bcbadda"></script>
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
<script src="_static/design-tabs.js?v=f930bc37"></script>
<script async="async" src="_static/mathjax/es5/tex-mml-chtml.js?v=cadf963e"></script>
<script src="_static/js/theme.js"></script>
<link rel="index" title="Index" href="genindex.html" />
<link rel="search" title="Search" href="search.html" />
<link rel="next" title="jump command" href="jump.html" />
<link rel="prev" title="include command" href="include.html" />
</head>
<body class="wy-body-for-nav">
<div class="wy-grid-for-nav">
<nav data-toggle="wy-nav-shift" class="wy-nav-side">
<div class="wy-side-scroll">
<div class="wy-side-nav-search" >
<a href="Manual.html">
<img src="_static/lammps-logo.png" class="logo" alt="Logo"/>
</a>
<div class="lammps_version">Version: <b>19 Nov 2024</b></div>
<div class="lammps_release">git info: </div>
<div role="search">
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
<input type="text" name="q" placeholder="Search docs" aria-label="Search docs" />
<input type="hidden" name="check_keywords" value="yes" />
<input type="hidden" name="area" value="default" />
</form>
</div>
</div><div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="Navigation menu">
<p class="caption" role="heading"><span class="caption-text">User Guide</span></p>
<ul>
<li class="toctree-l1"><a class="reference internal" href="Intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Install.html">2. Install LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Build.html">3. Build LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Run_head.html">4. Run LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Commands.html">5. Commands</a></li>
<li class="toctree-l1"><a class="reference internal" href="Packages.html">6. Optional packages</a></li>
<li class="toctree-l1"><a class="reference internal" href="Speed.html">7. Accelerate performance</a></li>
<li class="toctree-l1"><a class="reference internal" href="Howto.html">8. Howto discussions</a></li>
<li class="toctree-l1"><a class="reference internal" href="Examples.html">9. Example scripts</a></li>
<li class="toctree-l1"><a class="reference internal" href="Tools.html">10. Auxiliary tools</a></li>
<li class="toctree-l1"><a class="reference internal" href="Errors.html">11. Errors</a></li>
</ul>
<p class="caption" role="heading"><span class="caption-text">Programmer Guide</span></p>
<ul>
<li class="toctree-l1"><a class="reference internal" href="Library.html">1. LAMMPS Library Interfaces</a></li>
<li class="toctree-l1"><a class="reference internal" href="Python_head.html">2. Use Python with LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Modify.html">3. Modifying &amp; extending LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Developer.html">4. Information for Developers</a></li>
</ul>
<p class="caption" role="heading"><span class="caption-text">Command Reference</span></p>
<ul class="current">
<li class="toctree-l1 current"><a class="reference internal" href="commands_list.html">Commands</a><ul class="current">
<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="angle_write.html">angle_write 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="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="dihedral_write.html">dihedral_write 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="dynamical_matrix.html">dynamical_matrix 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="fitpod_command.html">fitpod command</a></li>
<li class="toctree-l2"><a class="reference internal" href="geturl.html">geturl 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="hyper.html">hyper 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 current"><a class="current reference internal" href="#">info 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>
<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="jump.html">jump command</a></li>
<li class="toctree-l2"><a class="reference internal" href="kim_commands.html">kim command</a></li>
<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="labelmap.html">labelmap 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="mdi.html">mdi 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_spin.html">min_style spin command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_spin.html#min-style-spin-cg-command">min_style spin/cg command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_spin.html#min-style-spin-lbfgs-command">min_style spin/lbfgs command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_style.html">min_style cg command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_style.html#min-style-hftn-command">min_style hftn command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_style.html#min-style-sd-command">min_style sd command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_style.html#min-style-quickmin-command">min_style quickmin command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_style.html#min-style-fire-command">min_style fire command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_style.html#min-style-spin-command"><span class="xref std std-doc">min_style spin</span> command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_style.html#min-style-spin-cg-command"><span class="xref std std-doc">min_style spin/cg</span> command</a></li>
<li class="toctree-l2"><a class="reference internal" href="min_style.html#min-style-spin-lbfgs-command"><span class="xref std std-doc">min_style spin/lbfgs</span> 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>
<li class="toctree-l2"><a class="reference internal" href="neb_spin.html">neb/spin command</a></li>
<li class="toctree-l2"><a class="reference internal" href="neigh_modify.html">neigh_modify command</a></li>
<li class="toctree-l2"><a class="reference internal" href="neighbor.html">neighbor command</a></li>
<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>
<li class="toctree-l2"><a class="reference internal" href="pair_coeff.html">pair_coeff command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_modify.html">pair_modify command</a></li>
<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="plugin.html">plugin command</a></li>
<li class="toctree-l2"><a class="reference internal" href="prd.html">prd command</a></li>
<li class="toctree-l2"><a class="reference internal" href="print.html">print command</a></li>
<li class="toctree-l2"><a class="reference internal" href="processors.html">processors command</a></li>
<li class="toctree-l2"><a class="reference internal" href="python.html">python command</a></li>
<li class="toctree-l2"><a class="reference internal" href="quit.html">quit command</a></li>
<li class="toctree-l2"><a class="reference internal" href="read_data.html">read_data command</a></li>
<li class="toctree-l2"><a class="reference internal" href="read_dump.html">read_dump command</a></li>
<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>
<li class="toctree-l2"><a class="reference internal" href="rerun.html">rerun command</a></li>
<li class="toctree-l2"><a class="reference internal" href="reset_atoms.html">reset_atoms command</a></li>
<li class="toctree-l2"><a class="reference internal" href="reset_timestep.html">reset_timestep command</a></li>
<li class="toctree-l2"><a class="reference internal" href="restart.html">restart command</a></li>
<li class="toctree-l2"><a class="reference internal" href="run.html">run command</a></li>
<li class="toctree-l2"><a class="reference internal" href="run_style.html">run_style command</a></li>
<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>
<li class="toctree-l2"><a class="reference internal" href="suffix.html">suffix command</a></li>
<li class="toctree-l2"><a class="reference internal" href="tad.html">tad command</a></li>
<li class="toctree-l2"><a class="reference internal" href="temper.html">temper command</a></li>
<li class="toctree-l2"><a class="reference internal" href="temper_grem.html">temper/grem command</a></li>
<li class="toctree-l2"><a class="reference internal" href="temper_npt.html">temper/npt command</a></li>
<li class="toctree-l2"><a class="reference internal" href="thermo.html">thermo command</a></li>
<li class="toctree-l2"><a class="reference internal" href="thermo_modify.html">thermo_modify command</a></li>
<li class="toctree-l2"><a class="reference internal" href="thermo_style.html">thermo_style command</a></li>
<li class="toctree-l2"><a class="reference internal" href="third_order.html">third_order command</a></li>
<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>
<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"><a class="reference internal" href="write_restart.html">write_restart command</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fix Styles</a></li>
<li class="toctree-l1"><a class="reference internal" href="computes.html">Compute Styles</a></li>
<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
<li class="toctree-l1"><a class="reference internal" href="dumps.html">Dump Styles</a></li>
<li class="toctree-l1"><a class="reference internal" href="fix_modify_atc_commands.html">fix_modify AtC commands</a></li>
<li class="toctree-l1"><a class="reference internal" href="Bibliography.html">Bibliography</a></li>
</ul>
</div>
</div>
</nav>
<section data-toggle="wy-nav-shift" class="wy-nav-content-wrap"><nav class="wy-nav-top" aria-label="Mobile navigation menu" >
<i data-toggle="wy-nav-top" class="fa fa-bars"></i>
<a href="Manual.html">LAMMPS</a>
</nav>
<div class="wy-nav-content">
<div class="rst-content style-external-links">
<div role="navigation" aria-label="Page navigation">
<ul class="wy-breadcrumbs">
<li><a href="Manual.html" class="icon icon-home" aria-label="Home"></a></li>
<li class="breadcrumb-item"><a href="commands_list.html">Commands</a></li>
<li class="breadcrumb-item active">info command</li>
<li class="wy-breadcrumbs-aside">
<a href="https://www.lammps.org"><img src="_static/lammps-logo.png" width="64" height="16" alt="LAMMPS Homepage"></a> | <a href="Commands_all.html">Commands</a>
</li>
</ul><div class="rst-breadcrumbs-buttons" role="navigation" aria-label="Sequential page navigation">
<a href="include.html" class="btn btn-neutral float-left" title="include command" accesskey="p"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
<a href="jump.html" class="btn btn-neutral float-right" title="jump command" accesskey="n">Next <span class="fa fa-arrow-circle-right" aria-hidden="true"></span></a>
</div>
<hr/>
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
<p><span class="math notranslate nohighlight">\(\renewcommand{\AA}{\text{Å}}\)</span></p>
<section id="info-command">
<span id="index-0"></span><h1>info command<a class="headerlink" href="#info-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">info</span><span class="w"> </span><span class="n">args</span>
</pre></div>
</div>
<ul class="simple">
<li><p>args = one or more of the following keywords: <em>out</em>, <em>all</em>, <em>system</em>, <em>memory</em>, <em>communication</em>, <em>computes</em>, <em>dumps</em>, <em>fixes</em>, <em>groups</em>, <em>regions</em>, <em>variables</em>, <em>coeffs</em>, <em>styles</em>, <em>time</em>, <em>accelerator</em>, <em>fft</em> or <em>configuration</em></p></li>
<li><p><em>out</em> values = <em>screen</em>, <em>log</em>, <em>append</em> filename, <em>overwrite</em> filename</p></li>
<li><p><em>styles</em> values = <em>all</em>, <em>angle</em>, <em>atom</em>, <em>bond</em>, <em>compute</em>, <em>command</em>, <em>dump</em>, <em>dihedral</em>, <em>fix</em>, <em>improper</em>, <em>integrate</em>, <em>kspace</em>, <em>minimize</em>, <em>pair</em>, <em>region</em></p></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">info</span><span class="w"> </span><span class="n">system</span>
<span class="k">info</span><span class="w"> </span><span class="n">groups</span><span class="w"> </span><span class="n">computes</span><span class="w"> </span><span class="n">variables</span>
<span class="k">info</span><span class="w"> </span><span class="n">all</span><span class="w"> </span><span class="n">out</span><span class="w"> </span><span class="n">log</span>
<span class="k">info</span><span class="w"> </span><span class="n">all</span><span class="w"> </span><span class="n">out</span><span class="w"> </span><span class="n">append</span><span class="w"> </span><span class="n">info.txt</span>
<span class="k">info</span><span class="w"> </span><span class="n">styles</span><span class="w"> </span><span class="n">all</span>
<span class="k">info</span><span class="w"> </span><span class="n">styles</span><span class="w"> </span><span class="n">atom</span><span class="w"> </span><span class="n">styles</span><span class="w"> </span><span class="n">command</span>
</pre></div>
</div>
</section>
<section id="description">
<h2>Description<a class="headerlink" href="#description" title="Link to this heading"></a></h2>
<p>Print out information about the current internal state of the running
LAMMPS process. This can be helpful when debugging or validating complex
input scripts. Several output categories are available and one or more
output categories may be requested. All category keywords take no
arguments, only <em>out</em> and <em>styles</em> take arguments as shown below. The
keywords are cumulative, may be abbreviated, and unknown keywords are
ignored.</p>
<p>The <em>out</em> flag controls where the output is sent. It can only be sent
to one target. By default this is the screen, if it is active. The
<em>log</em> argument selects the log file instead. With the <em>append</em> and
<em>overwrite</em> option, followed by a filename, the output is written
to that file, which is either appended to or overwritten, respectively.</p>
<p>The <em>all</em> flag activates printing all categories listed below.</p>
<p>The <em>configuration</em> category prints some information about the
LAMMPS version as well as architecture and OS it is run on.</p>
<p>The <em>memory</em> category prints some information about the current
memory allocation of MPI rank 0 (this the amount of dynamically
allocated memory reported by LAMMPS classes). Where supported,
also some OS specific information about the size of the reserved
memory pool size (this is where malloc() and the new operator
request memory from) and the maximum resident set size is reported
(this is the maximum amount of physical memory occupied so far).</p>
<p>The <em>system</em> category prints a general system overview listing. This
includes the unit style, atom style, number of atoms, bonds, angles,
dihedrals, and impropers and the number of the respective types, box
dimensions and properties, force computing styles and more.</p>
<p>The <em>communication</em> category prints a variety of information about
communication and parallelization: the MPI library version level,
the number of MPI ranks and OpenMP threads, the communication style
and layout, the processor grid dimensions, ghost atom communication
mode, cutoff, and related settings.</p>
<p>The <em>computes</em> category prints a list of all currently defined
computes, their IDs and styles and groups they operate on.</p>
<p>The <em>dumps</em> category prints a list of all currently active dumps,
their IDs, styles, filenames, groups, and dump frequencies.</p>
<p>The <em>fixes</em> category prints a list of all currently defined fixes,
their IDs and styles and groups they operate on.</p>
<p>The <em>groups</em> category prints a list of all currently defined groups.</p>
<p>The <em>regions</em> category prints a list of all currently defined regions,
their IDs and styles and whether “inside” or “outside” atoms are
selected.</p>
<p>The <em>variables</em> category prints a list of all currently defined
variables, their names, styles, definition and last computed value, if
available.</p>
<p>The <em>coeffs</em> category prints a list for each defined force style
(pair, bond, angle, dihedral, improper) indicating which of the
corresponding coefficients have been set. This can be very helpful
to debug error messages like “All pair coeffs are not set”.</p>
<p>The <em>accelerator</em> category prints out information about compile time
settings of included accelerator support for the GPU, KOKKOS, INTEL,
and OPENMP packages.</p>
<div class="versionadded">
<p><span class="versionmodified added">Added in version 7Feb2024.</span></p>
</div>
<p>The <em>fft</em> category prints out information about the included 3d-FFT
support. This lists the 3d-FFT engine, FFT precision, FFT library
used by the FFT engine. If the KOKKOS package is included, the settings
used for the KOKKOS package are displayed as well.</p>
<p>The <em>styles</em> category prints the list of styles available in the current
LAMMPS binary. The <em>styles</em> keyword without option is the same as using
the “all” option. One of the following options may be used to control
which category of styles is printed out. To select multiple categories,
the styles keyword needs to be used multiple times with the desired
categories:</p>
<ul class="simple">
<li><p>all</p></li>
<li><p>angle</p></li>
<li><p>atom</p></li>
<li><p>bond</p></li>
<li><p>compute</p></li>
<li><p>command</p></li>
<li><p>dump</p></li>
<li><p>dihedral</p></li>
<li><p>fix</p></li>
<li><p>improper</p></li>
<li><p>integrate</p></li>
<li><p>kspace</p></li>
<li><p>minimize</p></li>
<li><p>pair</p></li>
<li><p>region</p></li>
</ul>
<p>The <em>time</em> category prints the accumulated CPU and wall time for the
process that writes output (usually MPI rank 0).</p>
</section>
<section id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Link to this heading"></a></h2>
<p>none</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="print.html"><span class="doc">print</span></a></p>
</section>
<section id="default">
<h2>Default<a class="headerlink" href="#default" title="Link to this heading"></a></h2>
<p>The <em>out</em> option has the default <em>screen</em>.</p>
<p>The <em>styles</em> option has the default <em>all</em>.</p>
</section>
</section>
</div>
</div>
<footer><div class="rst-footer-buttons" role="navigation" aria-label="Footer">
<a href="include.html" class="btn btn-neutral float-left" title="include command" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
<a href="jump.html" class="btn btn-neutral float-right" title="jump command" accesskey="n" rel="next">Next <span class="fa fa-arrow-circle-right" aria-hidden="true"></span></a>
</div>
<hr/>
<div role="contentinfo">
<p>&#169; Copyright 2003-2025 Sandia Corporation.</p>
</div>
Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
<a href="https://github.com/readthedocs/sphinx_rtd_theme">theme</a>
provided by <a href="https://readthedocs.org">Read the Docs</a>.
</footer>
</div>
</div>
</section>
</div>
<script>
jQuery(function () {
SphinxRtdTheme.Navigation.enable(false);
});
</script>
</body>
</html>
Reference in New Issue View Git Blame Copy Permalink