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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3708 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-01-15 17:22:44 +00:00
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doc/atom_modify.html
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@ -71,7 +71,7 @@ is run.
</P>
<P>The <I>sort</I> keyword turns on a spatial sorting or reordering of atoms
within each processor's sub-domain every <I>Nfreq</I> timesteps. This can
improve cache performance and thus speed=up a LAMMPS simulation, as
improve cache performance and thus speed-up a LAMMPS simulation, as
discussed in a paper by <A HREF = "#Meloni">(Meloni)</A>. In tests we have done,
the amount of speed-up can range from zero to 3-4x. It is typically
more effective at speeding up simulations of liquids as opposed to
@ -89,12 +89,12 @@ reordered so that atoms in the same bin are adjacent to each other in
the processor's 1d list of atoms.
</P>
<P>The goal of this procedure is for atoms be near each other in the
processor's 1d list of atoms that are also near to each other
spatially. This can improve cache performance when pairwise
processor's one-dimensional list of atoms that are also near to each
other spatially. This can improve cache performance when pairwise
intereractions and neighbor lists are computed. Note that if bins are
too small, there will be few atoms/bin. Likewise if bins are too
large, there will be many atoms/bin. In both cases, the goal of cache
locality can be undermined.
locality will be undermined.
</P>
<P>IMPORTANT NOTE: Running a simulation with sorting on versus off should
not change the simulation results in a statistical sense. However,