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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6051 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-05-02 15:01:49 +00:00
parent 1773dd293f
commit f6151f6735
20 changed files with 478 additions and 257 deletions
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18
doc/fix_gpu.html
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@ -48,14 +48,13 @@ should not be any problems with specifying this fix first in input scripts.
<P><I>mode</I> specifies where neighbor list calculations will be performed.
If <I>mode</I> is force, neighbor list calculation is performed on the
CPU. If <I>mode</I> is force/neigh, neighbor list calculation is
performed on the GPU. GPU neighbor
list calculation currently cannot be used with a triclinic box.
performed on the GPU. GPU neighbor list calculation currently cannot be
used with a triclinic box. GPU neighbor list calculation currently
cannot be used with <A HREF = "pair_hybrid.html">hybrid</A> pair styles.
GPU neighbor lists are not compatible with styles that are not GPU-enabled.
When a non-GPU enabled style requires a neighbor list, it will also be
built using CPU routines. In these cases, it will typically be more efficient
to only use CPU neighbor list builds. For <A HREF = "pair_hybrid.html">hybrid</A> pair
styles, GPU calculated neighbor lists might be less efficient because
no particles will be skipped in a given neighbor list.
to only use CPU neighbor list builds.
</P>
<P><I>first</I> and <I>last</I> specify the GPUs that will be used for simulation.
On each node, the GPU IDs in the inclusive range from <I>first</I> to <I>last</I> will
@ -77,7 +76,8 @@ style.
</P>
<P>In order to use GPU acceleration, a GPU enabled style must be
selected in the input script in addition to this fix. Currently,
this is limited to a few <A HREF = "pair_style.html">pair styles</A>.
this is limited to a few <A HREF = "pair_style.html">pair styles</A> and
the PPPM <A HREF = "kspace_style.html">kspace style</A>.
</P>
<P>More details about these settings and various possible hardware
configuration are in <A HREF = "Section_start.html#2_8">this section</A> of the
@ -95,8 +95,10 @@ the <A HREF = "run.html">run</A> command.
<P><B>Restrictions:</B>
</P>
<P>The fix must be the first fix specified for a given run. The force/neigh
<I>mode</I> should not be used with a triclinic box or GPU-enabled pair styles
that need <A HREF = "special_bonds.html">special_bonds</A> settings.
<I>mode</I> should not be used with a triclinic box or <A HREF = "pair_hybrid.html">hybrid</A>
pair styles.
</P>
<P><I>split</I> must be positive when using <A HREF = "pair_hybrid.html">hybrid</A> pair styles.
</P>
<P>Currently, group-ID must be all.
</P>