Homec4science
Diffusion lammps (master) Browse

lammps/doc/doc2/suffix.html
bfb019efa901master

Last Change
Raw File

suffix.html
View Options

<HTML>
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
</CENTER>
<HR>
<H3>suffix command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>suffix style args
</PRE>
<UL><LI>style = <I>off</I> or <I>on</I> or <I>cuda</I> or <I>gpu</I> or <I>intel</I> or <I>kk</I> or <I>omp</I> or <I>opt</I> or <I>hybrid</I>
<LI>args = for hybrid style, default suffix to be used and alternative suffix
</UL>
<P><B>Examples:</B>
</P>
<PRE>suffix off
suffix on
suffix gpu
suffix intel
suffix hybrid intel omp
suffix kk
</PRE>
<P><B>Description:</B>
</P>
<P>This command allows you to use variants of various styles if they
exist. In that respect it operates the same as the <A HREF = "Section_start.html#start_7">-suffix
command-line switch</A>. It also has options
to turn off or back on any suffix setting made via the command line.
</P>
<P>The specified style can be <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, <I>opt</I>
or <I>hybrid</I>. These refer to optional packages that LAMMPS can be built
with, as described in <A HREF = "Section_start.html#start_3">this section of the
manual</A>. The "cuda" style corresponds to
the USER-CUDA package, the "gpu" style to the GPU package, the "intel"
style to the USER-INTEL package, the "kk" style to the KOKKOS package,
the "omp" style to the USER-OMP package, and the "opt" style to the
OPT package.
</P>
<P>These are the variants these packages provide:
</P>
<UL><LI>USER-CUDA = a collection of atom, pair, fix, compute, and intergrate
styles, optimized to run on one or more NVIDIA GPUs
<LI>GPU = a handful of pair styles and the PPPM kspace_style, optimized to
run on one or more GPUs or multicore CPU/GPU nodes
<LI>USER-INTEL = a collection of pair styles and neighbor routines
optimized to run in single, mixed, or double precision on CPUs and
Intel(R) Xeon Phi(TM) coprocessors.
<LI>KOKKOS = a collection of atom, pair, and fix styles optimized to run
using the Kokkos library on various kinds of hardware, including GPUs
via Cuda and many-core chips via OpenMP or threading.
<LI>USER-OMP = a collection of pair, bond, angle, dihedral, improper,
kspace, compute, and fix styles with support for OpenMP
multi-threading
<LI>OPT = a handful of pair styles, cache-optimized for faster CPU
performance
<LI>HYBRID = a combination of two packages can be specified (see below)
</UL>
<P>As an example, all of the packages provide a <A HREF = "pair_lj.html">pair_style
lj/cut</A> variant, with style names lj/cut/opt, lj/cut/omp,
lj/cut/gpu, lj/cut/intel, lj/cut/cuda, or lj/cut/kk. A variant styles
can be specified explicitly in your input script, e.g. pair_style
lj/cut/gpu. If the suffix command is used with the appropriate style,
you do not need to modify your input script. The specified suffix
(opt,omp,gpu,intel,cuda,kk) is automatically appended whenever your
input script command creates a new <A HREF = "atom_style.html">atom</A>,
<A HREF = "pair_style.html">pair</A>, <A HREF = "bond_style.html">bond</A>,
<A HREF = "angle_style.html">angle</A>, <A HREF = "dihedral_style.html">dihedral</A>,
<A HREF = "improper_style.html">improper</A>, <A HREF = "kspace_style.html">kspace</A>,
<A HREF = "fix.html">fix</A>, <A HREF = "compute.html">compute</A>, or <A HREF = "run_style.html">run</A> style.
If the variant version does not exist, the standard version is
created.
</P>
<P>For "hybrid", two packages are specified. The first is used whenever
available. If a style with the first suffix is not available, the style
with the suffix for the second package will be used if available. For
example, "hybrid intel omp" will use styles from the USER-INTEL package
as a first choice and styles from the USER-OMP package as a second choice
if no USER-INTEL variant is available.
</P>
<P>If the specified style is <I>off</I>, then any previously specified suffix
is temporarily disabled, whether it was specified by a command-line
switch or a previous suffix command. If the specified style is <I>on</I>,
a disabled suffix is turned back on. The use of these 2 commands lets
your input script use a standard LAMMPS style (i.e. a non-accelerated
variant), which can be useful for testing or benchmarking purposes.
Of course this is also possible by not using any suffix commands, and
explictly appending or not appending the suffix to the relevant
commands in your input script.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "Section_start.html#start_7">Command-line switch -suffix</A>
</P>
<P><B>Default:</B> none
</P>
</HTML>
c4science · Help