forked from lijiext/lammps
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284 lines
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<a href="Manual.html" class="icon icon-home"> LAMMPS
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<ul>
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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_start.html">2. Getting Started</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
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<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_howto.html">6. How-to discussions</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
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<li><a href="Manual.html">Docs</a> »</li>
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<li>suffix command</li>
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<a href="http://lammps.sandia.gov">Website</a>
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<a href="Section_commands.html#comm">Commands</a>
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<div class="section" id="suffix-command">
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<span id="index-0"></span><h1>suffix command</h1>
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<div class="section" id="syntax">
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<h2>Syntax</h2>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">suffix</span> <span class="n">style</span> <span class="n">args</span>
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</pre></div>
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</div>
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<ul class="simple">
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<li>style = <em>off</em> or <em>on</em> or <em>cuda</em> or <em>gpu</em> or <em>intel</em> or <em>kk</em> or <em>omp</em> or <em>opt</em> or <em>hybrid</em></li>
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<li>args = for hybrid style, default suffix to be used and alternative suffix</li>
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</ul>
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</div>
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<div class="section" id="examples">
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<h2>Examples</h2>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">suffix</span> <span class="n">off</span>
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<span class="n">suffix</span> <span class="n">on</span>
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<span class="n">suffix</span> <span class="n">gpu</span>
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<span class="n">suffix</span> <span class="n">intel</span>
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<span class="n">suffix</span> <span class="n">hybrid</span> <span class="n">intel</span> <span class="n">omp</span>
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<span class="n">suffix</span> <span class="n">kk</span>
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</pre></div>
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</div>
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</div>
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<div class="section" id="description">
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<h2>Description</h2>
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<p>This command allows you to use variants of various styles if they
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exist. In that respect it operates the same as the <a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">-suffix command-line switch</span></a>. It also has options
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to turn off or back on any suffix setting made via the command line.</p>
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<p>The specified style can be <em>cuda</em>, <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, <em>opt</em>
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or <em>hybrid</em>. These refer to optional packages that LAMMPS can be built
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with, as described in <a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">this section of the manual</span></a>. The “cuda” style corresponds to
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the USER-CUDA package, the “gpu” style to the GPU package, the “intel”
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style to the USER-INTEL package, the “kk” style to the KOKKOS package,
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the “omp” style to the USER-OMP package, and the “opt” style to the
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OPT package.</p>
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<p>These are the variants these packages provide:</p>
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<ul class="simple">
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<li>USER-CUDA = a collection of atom, pair, fix, compute, and intergrate
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styles, optimized to run on one or more NVIDIA GPUs</li>
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<li>GPU = a handful of pair styles and the PPPM kspace_style, optimized to
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run on one or more GPUs or multicore CPU/GPU nodes</li>
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<li>USER-INTEL = a collection of pair styles and neighbor routines
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optimized to run in single, mixed, or double precision on CPUs and
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Intel(R) Xeon Phi(TM) coprocessors.</li>
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<li>KOKKOS = a collection of atom, pair, and fix styles optimized to run
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using the Kokkos library on various kinds of hardware, including GPUs
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via Cuda and many-core chips via OpenMP or threading.</li>
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<li>USER-OMP = a collection of pair, bond, angle, dihedral, improper,
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kspace, compute, and fix styles with support for OpenMP
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multi-threading</li>
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<li>OPT = a handful of pair styles, cache-optimized for faster CPU
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performance</li>
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<li>HYBRID = a combination of two packages can be specified (see below)</li>
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</ul>
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<p>As an example, all of the packages provide a <a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut</span></a> variant, with style names lj/cut/opt, lj/cut/omp,
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lj/cut/gpu, lj/cut/intel, lj/cut/cuda, or lj/cut/kk. A variant styles
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can be specified explicitly in your input script, e.g. pair_style
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lj/cut/gpu. If the suffix command is used with the appropriate style,
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you do not need to modify your input script. The specified suffix
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(opt,omp,gpu,intel,cuda,kk) is automatically appended whenever your
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input script command creates a new <a class="reference internal" href="atom_style.html"><span class="doc">atom</span></a>,
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<a class="reference internal" href="pair_style.html"><span class="doc">pair</span></a>, <a class="reference internal" href="bond_style.html"><span class="doc">bond</span></a>,
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<a class="reference internal" href="angle_style.html"><span class="doc">angle</span></a>, <a class="reference internal" href="dihedral_style.html"><span class="doc">dihedral</span></a>,
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<a class="reference internal" href="improper_style.html"><span class="doc">improper</span></a>, <a class="reference internal" href="kspace_style.html"><span class="doc">kspace</span></a>,
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<a class="reference internal" href="fix.html"><span class="doc">fix</span></a>, <a class="reference internal" href="compute.html"><span class="doc">compute</span></a>, or <a class="reference internal" href="run_style.html"><span class="doc">run</span></a> style.
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If the variant version does not exist, the standard version is
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created.</p>
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<p>For “hybrid”, two packages are specified. The first is used whenever
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available. If a style with the first suffix is not available, the style
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with the suffix for the second package will be used if available. For
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example, “hybrid intel omp” will use styles from the USER-INTEL package
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as a first choice and styles from the USER-OMP package as a second choice
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if no USER-INTEL variant is available.</p>
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<p>If the specified style is <em>off</em>, then any previously specified suffix
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is temporarily disabled, whether it was specified by a command-line
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switch or a previous suffix command. If the specified style is <em>on</em>,
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a disabled suffix is turned back on. The use of these 2 commands lets
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your input script use a standard LAMMPS style (i.e. a non-accelerated
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variant), which can be useful for testing or benchmarking purposes.
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Of course this is also possible by not using any suffix commands, and
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explictly appending or not appending the suffix to the relevant
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commands in your input script.</p>
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</div>
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<div class="section" id="restrictions">
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<h2>Restrictions</h2>
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<blockquote>
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<div>none</div></blockquote>
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</div>
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<div class="section" id="related-commands">
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<h2>Related commands</h2>
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<p><a class="reference internal" href="Section_start.html#start-7"><span class="std std-ref">Command-line switch -suffix</span></a></p>
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<p><strong>Default:</strong> none</p>
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</div>
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<div role="contentinfo">
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<p>
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© Copyright 2013 Sandia Corporation.
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