forked from lijiext/lammps
286 lines
10 KiB
HTML
286 lines
10 KiB
HTML
|
|
|
|
<!DOCTYPE html>
|
|
<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
|
|
<!--[if gt IE 8]><!--> <html class="no-js" lang="en" > <!--<![endif]-->
|
|
<head>
|
|
<meta charset="utf-8">
|
|
|
|
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
|
|
|
<title>shell command — LAMMPS 15 May 2015 version documentation</title>
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
<link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
|
|
|
|
|
|
|
|
<link rel="stylesheet" href="_static/sphinxcontrib-images/LightBox2/lightbox2/css/lightbox.css" type="text/css" />
|
|
|
|
|
|
|
|
<link rel="top" title="LAMMPS 15 May 2015 version documentation" href="index.html"/>
|
|
|
|
|
|
<script src="_static/js/modernizr.min.js"></script>
|
|
|
|
</head>
|
|
|
|
<body class="wy-body-for-nav" role="document">
|
|
|
|
<div class="wy-grid-for-nav">
|
|
|
|
|
|
<nav data-toggle="wy-nav-shift" class="wy-nav-side">
|
|
<div class="wy-side-nav-search">
|
|
|
|
|
|
|
|
<a href="Manual.html" class="icon icon-home"> LAMMPS
|
|
|
|
|
|
|
|
</a>
|
|
|
|
|
|
<div role="search">
|
|
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
|
|
<input type="text" name="q" placeholder="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="main navigation">
|
|
|
|
|
|
|
|
<ul>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
|
|
<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>
|
|
<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
|
|
<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 & 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 & 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>
|
|
</ul>
|
|
|
|
|
|
|
|
</div>
|
|
|
|
</nav>
|
|
|
|
<section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">
|
|
|
|
|
|
<nav class="wy-nav-top" role="navigation" aria-label="top navigation">
|
|
<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">
|
|
<div role="navigation" aria-label="breadcrumbs navigation">
|
|
<ul class="wy-breadcrumbs">
|
|
<li><a href="Manual.html">Docs</a> »</li>
|
|
|
|
<li>shell command</li>
|
|
<li class="wy-breadcrumbs-aside">
|
|
|
|
|
|
<a href="http://lammps.sandia.gov">Website</a>
|
|
<a href="Section_commands.html#comm">Commands</a>
|
|
|
|
</li>
|
|
</ul>
|
|
<hr/>
|
|
|
|
</div>
|
|
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
|
|
<div itemprop="articleBody">
|
|
|
|
<div class="section" id="shell-command">
|
|
<span id="index-0"></span><h1>shell command<a class="headerlink" href="#shell-command" title="Permalink to this headline">¶</a></h1>
|
|
<div class="section" id="syntax">
|
|
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline">¶</a></h2>
|
|
<div class="highlight-python"><div class="highlight"><pre>shell cmd args
|
|
</pre></div>
|
|
</div>
|
|
<ul class="simple">
|
|
<li>cmd = <em>cd</em> or <em>mkdir</em> or <em>mv</em> or <em>rm</em> or <em>rmdir</em> or <em>putenv</em> or arbitrary command</li>
|
|
</ul>
|
|
<pre class="literal-block">
|
|
<em>cd</em> arg = dir
|
|
dir = directory to change to
|
|
<em>mkdir</em> args = dir1 dir2 ...
|
|
dir1,dir2 = one or more directories to create
|
|
<em>mv</em> args = old new
|
|
old = old filename
|
|
new = new filename
|
|
<em>rm</em> args = file1 file2 ...
|
|
file1,file2 = one or more filenames to delete
|
|
<em>rmdir</em> args = dir1 dir2 ...
|
|
dir1,dir2 = one or more directories to delete
|
|
<em>putenv</em> args = var1=value1 var2=value2
|
|
var=value = one of more definitions of environment variables
|
|
anything else is passed as a command to the shell for direct execution
|
|
</pre>
|
|
</div>
|
|
<div class="section" id="examples">
|
|
<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline">¶</a></h2>
|
|
<div class="highlight-python"><div class="highlight"><pre>shell cd sub1
|
|
shell cd ..
|
|
shell mkdir tmp1 tmp2 tmp3
|
|
shell rmdir tmp1
|
|
shell mv log.lammps hold/log.1
|
|
shell rm TMP/file1 TMP/file2
|
|
shell putenv LAMMPS_POTENTIALS=../../potentials
|
|
shell my_setup file1 10 file2
|
|
shell my_post_process 100 dump.out
|
|
</pre></div>
|
|
</div>
|
|
</div>
|
|
<div class="section" id="description">
|
|
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
|
|
<p>Execute a shell command. A few simple file-based shell commands are
|
|
supported directly, in Unix-style syntax. Any command not listed
|
|
above is passed as-is to the C-library system() call, which invokes
|
|
the command in a shell.</p>
|
|
<p>This is means to invoke other commands from your input script. For
|
|
example, you can move files around in preparation for the next section
|
|
of the input script. Or you can run a program that pre-processes data
|
|
for input into LAMMPS. Or you can run a program that post-processes
|
|
LAMMPS output data.</p>
|
|
<p>With the exception of <em>cd</em>, all commands, including ones invoked via a
|
|
system() call, are executed by only a single processor, so that
|
|
files/directories are not being manipulated by multiple processors.</p>
|
|
<p>The <em>cd</em> cmd executes the Unix “cd” command to change the working
|
|
directory. All subsequent LAMMPS commands that read/write files will
|
|
use the new directory. All processors execute this command.</p>
|
|
<p>The <em>mkdir</em> cmd executes the Unix “mkdir” command to create one or
|
|
more directories.</p>
|
|
<p>The <em>mv</em> cmd executes the Unix “mv” command to rename a file and/or
|
|
move it to a new directory.</p>
|
|
<p>The <em>rm</em> cmd executes the Unix “rm” command to remove one or more
|
|
files.</p>
|
|
<p>The <em>rmdir</em> cmd executes the Unix “rmdir” command to remove one or
|
|
more directories. A directory must be empty to be successfully
|
|
removed.</p>
|
|
<p>The <em>putenv</em> cmd defines or updates an environment variable directly.
|
|
Since this command does not pass through the shell, no shell variable
|
|
expansion or globbing is performed, only the usual substitution for
|
|
LAMMPS variables defined with the <a class="reference internal" href="variable.html"><em>variable</em></a> command is
|
|
performed. The resulting string is then used literally.</p>
|
|
<p>Any other cmd is passed as-is to the shell along with its arguments as
|
|
one string, invoked by the C-library system() call. For example,
|
|
these lines in your input script:</p>
|
|
<div class="highlight-python"><div class="highlight"><pre>variable n equal 10
|
|
variable foo string file2
|
|
shell my_setup file1 $n ${foo}
|
|
</pre></div>
|
|
</div>
|
|
<p>would be the same as invoking</p>
|
|
<div class="highlight-python"><div class="highlight"><pre>% my_setup file1 10 file2
|
|
</pre></div>
|
|
</div>
|
|
<p>from a command-line prompt. The executable program “my_setup” is run
|
|
with 3 arguments: file1 10 file2.</p>
|
|
</div>
|
|
<div class="section" id="restrictions">
|
|
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline">¶</a></h2>
|
|
<p>LAMMPS does not detect errors or print warnings when any of these
|
|
commands execute. E.g. if the specified directory does not exist,
|
|
executing the <em>cd</em> command will silently do nothing.</p>
|
|
<p><strong>Related commands:</strong> none</p>
|
|
<p><strong>Default:</strong> none</p>
|
|
</div>
|
|
</div>
|
|
|
|
|
|
</div>
|
|
</div>
|
|
<footer>
|
|
|
|
|
|
<hr/>
|
|
|
|
<div role="contentinfo">
|
|
<p>
|
|
© Copyright .
|
|
</p>
|
|
</div>
|
|
Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/snide/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>.
|
|
|
|
</footer>
|
|
|
|
</div>
|
|
</div>
|
|
|
|
</section>
|
|
|
|
</div>
|
|
|
|
|
|
|
|
|
|
|
|
<script type="text/javascript">
|
|
var DOCUMENTATION_OPTIONS = {
|
|
URL_ROOT:'./',
|
|
VERSION:'15 May 2015 version',
|
|
COLLAPSE_INDEX:false,
|
|
FILE_SUFFIX:'.html',
|
|
HAS_SOURCE: true
|
|
};
|
|
</script>
|
|
<script type="text/javascript" src="_static/jquery.js"></script>
|
|
<script type="text/javascript" src="_static/underscore.js"></script>
|
|
<script type="text/javascript" src="_static/doctools.js"></script>
|
|
<script type="text/javascript" src="https://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"></script>
|
|
<script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2/js/jquery-1.11.0.min.js"></script>
|
|
<script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2/js/lightbox.min.js"></script>
|
|
<script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2-customize/jquery-noconflict.js"></script>
|
|
|
|
|
|
|
|
|
|
|
|
<script type="text/javascript" src="_static/js/theme.js"></script>
|
|
|
|
|
|
|
|
|
|
<script type="text/javascript">
|
|
jQuery(function () {
|
|
SphinxRtdTheme.StickyNav.enable();
|
|
});
|
|
</script>
|
|
|
|
|
|
</body>
|
|
</html> |