ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6347 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2011-06-08 21:26:06 +00:00
parent 1949f9d2ad
commit a61ddd0f95
24 changed files with 463 additions and 571 deletions
Download Patch File Download Diff File Expand all files Collapse all files

38
doc/pair_lj_expand.html
View File

@ -17,8 +17,6 @@
</P>
<PRE>pair_style lj/expand cutoff
</PRE>
<PRE>pair_style lj/expand/gpu cutoff
</PRE>
<UL><LI>cutoff = global cutoff for lj/expand interactions (distance units)
</UL>
<P><B>Examples:</B>
@ -53,23 +51,27 @@ commands, or by mixing as described below:
<P>The delta values can be positive or negative. The last coefficient is
optional. If not specified, the global LJ cutoff is used.
</P>
<P>Style <I>lj/expand/gpu</I> is a GPU-enabled version of style <I>lj/expand</I>.
See more details below.
</P>
<HR>
<P>The styles with a <I>gpu</I> suffix are identical to the corresponding
styles without the suffix, except that each processor off-loads its
pairwise calculations to a GPU. Depending on the hardware available
on your system this can provide a speed-up. See <A HREF = "doc/Section_accerate.html">this
section</A> of the manual for more details.
<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
as the corresponding style without the suffix. They have been
optimized to run faster, depending on your available hardware, as
discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
The accelerated styles take the same arguments and should produce the
same results, except for round-off and precision issues.
</P>
<P>Additional requirements in your input script to run the styles with a
<I>gpu</I> suffix are as follows:
<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A>
section for more info.
</P>
<P>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
gpu</A> command must be used. The fix controls the GPU
selection and initialization steps.
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#2_6">-suffix command-line
switch</A> when you invoke LAMMPS, or you can use
the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
@ -102,11 +104,7 @@ to be specified in an input script that reads a restart file.
</P>
<HR>
<P><B>Restrictions:</B>
</P>
<P>The styles with a <I>gpu</I> suffix are part of the "gpu" package. They
are only enabled if LAMMPS was built with those packages. See the
<A HREF = "Section_start.html#2_3">Making LAMMPS</A> section for more info.
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>
</P>