<li><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></li>
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 this <aclass="reference internal"href="Section_start.html#start-8"><spanclass="std std-ref">discussion of screen output</span></a>.</p>
affects the <aclass="reference internal"href="run.html"><spanclass="doc">run</span></a> and <aclass="reference internal"href="minimize.html"><spanclass="doc">minimize</span></a> commands.
This can be convenient when runs have to confirm to time limits,
e.g. when running under a batch system and you want to maximize
the utilization of the batch time slot, especially when the time
per timestep varies and is thus difficult to predict how many
steps a simulation can perform, or for difficult to converge
minimizations. The timeout <em>elapse</em> value should be somewhat smaller
than the time requested from the batch system, as there is usually
some overhead to launch jobs, and it may be 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
<aclass="reference internal"href="thermo_style.html"><spanclass="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
<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 <aclass="reference internal"href="run_style.html"><spanclass="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
Built with <ahref="http://sphinx-doc.org/">Sphinx</a> using a <ahref="https://github.com/snide/sphinx_rtd_theme">theme</a> provided by <ahref="https://readthedocs.org">Read the Docs</a>.