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lammps/doc/html/timer.html
Barak Hirshberg edca6eb4db this is a lost cause
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<div class="lammps_version">Version: <b>19 Nov 2024</b></div>
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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="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>
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<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>
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<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>
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<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>
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<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>
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<li class="toctree-l2"><a class="reference internal" href="kspace_modify.html">kspace_modify command</a></li>
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<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>
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<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>
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<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>
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<li class="toctree-l2"><a class="reference internal" href="min_style.html#min-style-hftn-command">min_style hftn command</a></li>
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<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>
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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>
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<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>
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<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 current"><a class="current reference internal" href="#">timer 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>
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<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>
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<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>
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<p><span class="math notranslate nohighlight">\(\renewcommand{\AA}{\text{Å}}\)</span></p>
<section id="timer-command">
<span id="index-0"></span><h1>timer command<a class="headerlink" href="#timer-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">timer</span><span class="w"> </span><span class="n">args</span>
</pre></div>
</div>
<ul class="simple">
<li><p><em>args</em> = one or more of <em>off</em> or <em>loop</em> or <em>normal</em> or <em>full</em> or <em>sync</em> or <em>nosync</em> or <em>timeout</em> or <em>every</em></p></li>
</ul>
<pre class="literal-block"><em>off</em> = do not collect or print any timing information
<em>loop</em> = collect only the total time for the simulation loop
<em>normal</em> = collect timer information broken down by sections (default)
<em>full</em> = like <em>normal</em> but also include CPU and thread utilization
<em>sync</em> = explicitly synchronize MPI tasks between sections
<em>nosync</em> = do not synchronize MPI tasks between sections (default)
<em>timeout</em> elapse = set wall time limit to <em>elapse</em>
<em>every</em> Ncheck = perform timeout check every <em>Ncheck</em> steps</pre>
</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">timer</span><span class="w"> </span><span class="n">full</span><span class="w"> </span><span class="n">sync</span>
<span class="k">timer</span><span class="w"> </span><span class="n">timeout</span><span class="w"> </span><span class="m">2:00:00</span><span class="w"> </span><span class="n">every</span><span class="w"> </span><span class="m">100</span>
<span class="k">timer</span><span class="w"> </span><span class="n">loop</span>
</pre></div>
</div>
</section>
<section id="description">
<h2>Description<a class="headerlink" href="#description" title="Link to this heading"></a></h2>
<p>Select the level of detail at which LAMMPS performs its CPU timings.
Multiple keywords can be specified with the <em>timer</em> command. For
keywords that are mutually exclusive, the last one specified takes
precedence.</p>
<p>During a simulation run LAMMPS collects information about how much
time is spent in different sections of the code and thus can provide
information for determining performance and load imbalance problems.
This can be done at different levels of detail and accuracy. For more
information about the timing output, see the <a class="reference internal" href="Run_output.html"><span class="doc">Run output</span></a> doc page.</p>
<p>The <em>off</em> setting will turn all time measurements off. The <em>loop</em>
setting will only measure the total time for a run and not collect any
detailed per section information. With the <em>normal</em> setting, timing
information for portions of the timestep (pairwise calculations,
neighbor list construction, output, etc) are collected as well as
information about load imbalances for those sections across
processors. The <em>full</em> setting adds information about CPU
utilization and thread utilization, when multi-threading is enabled.</p>
<p>With the <em>sync</em> setting, all MPI tasks are synchronized at each timer
call which measures load imbalance for each section more accurately,
though it can also slow down the simulation by prohibiting overlapping
independent computations on different MPI ranks Using the <em>nosync</em>
setting (which is the default) turns this synchronization off.</p>
<p>With the <em>timeout</em> keyword a wall time limit can be imposed, that
affects the <a class="reference internal" href="run.html"><span class="doc">run</span></a> and <a class="reference internal" href="minimize.html"><span class="doc">minimize</span></a> commands.
This can be convenient when calculations have to comply with execution
time limits, e.g. when running under a batch system when you want to
maximize the utilization of the batch time slot, especially for runs
where the time per timestep varies much and thus it becomes difficult
to predict how many steps a simulation can perform for a given wall time
limit. This also applies for difficult to converge minimizations.
The timeout <em>elapse</em> value should be somewhat smaller than the maximum
wall time requested from the batch system, as there is usually
some overhead to launch jobs, and it is advisable to write
out a restart after terminating a run due to a timeout.</p>
<p>The timeout timer starts when the command is issued. When the time
limit is reached, the run or energy minimization will exit on the
next step or iteration that is a multiple of the <em>Ncheck</em> value
which can be set with the <em>every</em> keyword. Default is checking
every 10 steps. After the timer timeout has expired all subsequent
run or minimize commands in the input script will be skipped.
The remaining time or timer status can be accessed with the
<a class="reference internal" href="thermo_style.html"><span class="doc">thermo</span></a> variable <em>timeremain</em>, which will be
zero, if the timeout is inactive (default setting), it will be
negative, if the timeout time is expired and positive if there
is time remaining and in this case the value of the variable are
the number of seconds remaining.</p>
<p>When the <em>timeout</em> key word is used a second time, the timer is
restarted with a new time limit. The timeout <em>elapse</em> value can
be specified as <em>off</em> or <em>unlimited</em> to impose a no timeout condition
(which is the default). The <em>elapse</em> setting can be specified as
a single number for seconds, two numbers separated by a colon (MM:SS)
for minutes and seconds, or as three numbers separated by colons for
hours, minutes, and seconds (H:MM:SS).</p>
<p>The <em>every</em> keyword sets how frequently during a run or energy
minimization the wall clock will be checked. This check count applies
to the outer iterations or time steps during minimizations or <a class="reference internal" href="run_style.html"><span class="doc">r-RESPA runs</span></a>, respectively. Checking for timeout too often,
can slow a calculation down. Checking too infrequently can make the
timeout measurement less accurate, with the run being stopped later
than desired.</p>
<div class="admonition note">
<p class="admonition-title">Note</p>
<p>Using the <em>full</em> and <em>sync</em> options provides the most detailed
and accurate timing information, but can also have a negative
performance impact due to the overhead of the many required system
calls. It is thus recommended to use these settings only when testing
tests to identify performance bottlenecks. For calculations with few
atoms or a very large number of processors, even the <em>normal</em> setting
can have a measurable negative performance impact. In those cases you
can just use the <em>loop</em> or <em>off</em> setting.</p>
</div>
</section>
<section id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Link to this heading"></a></h2>
<blockquote>
<div><p>none</p>
</div></blockquote>
</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="run.html"><span class="doc">run post no</span></a>, <a class="reference internal" href="kspace_modify.html"><span class="doc">kspace_modify fftbench</span></a></p>
</section>
<section id="default">
<h2>Default<a class="headerlink" href="#default" title="Link to this heading"></a></h2>
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">timer</span><span class="w"> </span><span class="n">normal</span><span class="w"> </span><span class="n">nosync</span>
<span class="k">timer</span><span class="w"> </span><span class="n">timeout</span><span class="w"> </span><span class="n">off</span>
<span class="k">timer</span><span class="w"> </span><span class="n">every</span><span class="w"> </span><span class="m">10</span>
</pre></div>
</div>
</section>
</section>
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