this is a lost cause
This commit is contained in:
Barak Hirshberg
195
doc/html/Python_error.html
Normal file
195
doc/html/Python_error.html
Normal file
@ -0,0 +1,195 @@
|
||||
<!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>2.9. Handling LAMMPS errors — 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/Python_error.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="2.10. Troubleshooting" href="Python_trouble.html" />
|
||||
<link rel="prev" title="2.8. Example Python scripts" href="Python_examples.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 class="current">
|
||||
<li class="toctree-l1"><a class="reference internal" href="Library.html">1. LAMMPS Library Interfaces</a></li>
|
||||
<li class="toctree-l1 current"><a class="reference internal" href="Python_head.html">2. Use Python with LAMMPS</a><ul class="current">
|
||||
<li class="toctree-l2"><a class="reference internal" href="Python_overview.html">2.1. Overview</a></li>
|
||||
<li class="toctree-l2"><a class="reference internal" href="Python_install.html">2.2. Installation</a></li>
|
||||
<li class="toctree-l2"><a class="reference internal" href="Python_run.html">2.3. Run LAMMPS from Python</a></li>
|
||||
<li class="toctree-l2"><a class="reference internal" href="Python_module.html">2.4. The <code class="docutils literal notranslate"><span class="pre">lammps</span></code> Python module</a></li>
|
||||
<li class="toctree-l2"><a class="reference internal" href="Python_ext.html">2.5. Extending the Python interface</a></li>
|
||||
<li class="toctree-l2"><a class="reference internal" href="Python_call.html">2.6. Calling Python from LAMMPS</a></li>
|
||||
<li class="toctree-l2"><a class="reference internal" href="Python_formats.html">2.7. Output Readers</a></li>
|
||||
<li class="toctree-l2"><a class="reference internal" href="Python_examples.html">2.8. Example Python scripts</a></li>
|
||||
<li class="toctree-l2 current"><a class="current reference internal" href="#">2.9. Handling LAMMPS errors</a></li>
|
||||
<li class="toctree-l2"><a class="reference internal" href="Python_trouble.html">2.10. Troubleshooting</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="Modify.html">3. Modifying & 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>
|
||||
<li class="toctree-l1"><a class="reference internal" href="commands_list.html">Commands</a></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="Python_head.html"><span class="section-number">2. </span>Use Python with LAMMPS</a></li>
|
||||
<li class="breadcrumb-item active"><span class="section-number">2.9. </span>Handling LAMMPS errors</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="Python_examples.html" class="btn btn-neutral float-left" title="2.8. Example Python scripts" accesskey="p"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
|
||||
<a href="Python_trouble.html" class="btn btn-neutral float-right" title="2.10. Troubleshooting" 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="handling-lammps-errors">
|
||||
<h1><span class="section-number">2.9. </span>Handling LAMMPS errors<a class="headerlink" href="#handling-lammps-errors" title="Link to this heading"></a></h1>
|
||||
<p>LAMMPS and the LAMMPS library are compiled with <a class="reference internal" href="Build_settings.html#exceptions"><span class="std std-ref">C++ exception support</span></a> to provide a better error handling experience. LAMMPS errors
|
||||
trigger throwing a C++ exception. These exceptions allow capturing errors on
|
||||
the C++ side and rethrowing them on the Python side. This way LAMMPS errors
|
||||
can be handled through the Python exception handling mechanism.</p>
|
||||
<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span><span class="w"> </span><span class="nn">lammps</span><span class="w"> </span><span class="kn">import</span> <span class="n">lammps</span><span class="p">,</span> <span class="n">MPIAbortException</span>
|
||||
|
||||
<span class="n">lmp</span> <span class="o">=</span> <span class="n">lammps</span><span class="p">()</span>
|
||||
|
||||
<span class="k">try</span><span class="p">:</span>
|
||||
<span class="c1"># LAMMPS will normally terminate itself and the running process if an error</span>
|
||||
<span class="c1"># occurs. This would kill the Python interpreter. The library wrapper will</span>
|
||||
<span class="c1"># detect that an error has occurred and throw a Python exception</span>
|
||||
|
||||
<span class="n">lmp</span><span class="o">.</span><span class="n">command</span><span class="p">(</span><span class="s1">'unknown'</span><span class="p">)</span>
|
||||
<span class="k">except</span> <span class="n">MPIAbortException</span> <span class="k">as</span> <span class="n">ae</span><span class="p">:</span>
|
||||
<span class="c1"># Single MPI process got killed. This would normally be handled by an MPI abort</span>
|
||||
<span class="k">pass</span>
|
||||
<span class="k">except</span> <span class="ne">Exception</span> <span class="k">as</span> <span class="n">e</span><span class="p">:</span>
|
||||
<span class="c1"># All (MPI) processes have reached this error</span>
|
||||
<span class="k">pass</span>
|
||||
</pre></div>
|
||||
</div>
|
||||
<div class="admonition warning">
|
||||
<p class="admonition-title">Warning</p>
|
||||
<p>Capturing a LAMMPS exception in Python can still mean that the
|
||||
current LAMMPS process is in an illegal state and must be
|
||||
terminated. It is advised to save your data and terminate the Python
|
||||
instance as quickly as possible when running in parallel with MPI.</p>
|
||||
</div>
|
||||
</section>
|
||||
|
||||
|
||||
</div>
|
||||
</div>
|
||||
<footer><div class="rst-footer-buttons" role="navigation" aria-label="Footer">
|
||||
<a href="Python_examples.html" class="btn btn-neutral float-left" title="2.8. Example Python scripts" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
|
||||
<a href="Python_trouble.html" class="btn btn-neutral float-right" title="2.10. Troubleshooting" accesskey="n" rel="next">Next <span class="fa fa-arrow-circle-right" aria-hidden="true"></span></a>
|
||||
</div>
|
||||
|
||||
<hr/>
|
||||
|
||||
<div role="contentinfo">
|
||||
<p>© 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
Block a user