git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7579 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2012-01-25 16:00:02 +00:00
parent 79e0fea7f5
commit 5df60ac131
9 changed files with 84 additions and 29 deletions

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@ -3,7 +3,7 @@
\begin{document} \begin{document}
$$ $$
E = K [\cos(\theta) - \cos(\theta_0)] E = K [1 - \cos(\theta - \theta_0)]
$$ $$
\end{document} \end{document}

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@ -574,6 +574,19 @@ calculations. The USER-CUDA package currently supports a wider range
of pair styles and can also accelerate many fix styles and some of pair styles and can also accelerate many fix styles and some
compute styles, as well as neighbor list and PPPM calculations. compute styles, as well as neighbor list and PPPM calculations.
<LI>The USER-CUDA package does not support acceleration for minimization.
<LI>The USER-CUDA package does not support hybrid pair styles.
<LI>The USER-CUDA package can order atoms in the neighbor list differently
from run to run resulting in a different order for force accumulation.
<LI>The USER-CUDA package has a limit on the number of atom types that can be
used in a simulation.
<LI>The GPU package requires neighbor lists to be built on the CPU when using
exclusion lists or a triclinic simulation box.
<LI>The GPU package uses more GPU memory than the USER-CUDA package. This <LI>The GPU package uses more GPU memory than the USER-CUDA package. This
is generally not a problem since typical runs are computation-limited is generally not a problem since typical runs are computation-limited
rather than memory-limited. rather than memory-limited.

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@ -453,35 +453,37 @@ package</A>.
<DIV ALIGN=center><TABLE BORDER=1 > <DIV ALIGN=center><TABLE BORDER=1 >
<TR ALIGN="center"><TD ><A HREF = "pair_adp.html">adp/omp</A></TD><TD ><A HREF = "pair_airebo.html">airebo/omp</A></TD><TD ><A HREF = "pair_born.html">born/coul/long/cuda</A></TD><TD ><A HREF = "pair_born.html">born/coul/long/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_adp.html">adp/omp</A></TD><TD ><A HREF = "pair_airebo.html">airebo/omp</A></TD><TD ><A HREF = "pair_born.html">born/coul/long/cuda</A></TD><TD ><A HREF = "pair_born.html">born/coul/long/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/coul/wolf/omp</A></TD><TD ><A HREF = "pair_born.html">born/omp</A></TD><TD ><A HREF = "pair_brownian.html">brownian/omp</A></TD><TD ><A HREF = "pair_brownian.html">brownian/poly/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/coul/wolf/omp</A></TD><TD ><A HREF = "pair_born.html">born/omp</A></TD><TD ><A HREF = "pair_brownian.html">brownian/omp</A></TD><TD ><A HREF = "pair_brownian.html">brownian/poly/omp</A></TD></TR>
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@ -1343,10 +1343,26 @@ in LAMMPS.
the simulation box is very small in some dimension, compared to the the simulation box is very small in some dimension, compared to the
neighbor cutoff. Use the "nsq" style instead of "bin" style. neighbor cutoff. Use the "nsq" style instead of "bin" style.
<DT><I>Cannot use newton pair with buck/gpu pair style</I>
<DD>UNDOCUMENTED
<DT><I>Cannot use newton pair with buck/coul/cut/gpu pair style</I>
<DD>UNDOCUMENTED
<DT><I>Cannot use newton pair with buck/coul/long/gpu pair style</I>
<DD>UNDOCUMENTED
<DT><I>Cannot use newton pair with coul/long/gpu pair style</I> <DT><I>Cannot use newton pair with coul/long/gpu pair style</I>
<DD>UNDOCUMENTED <DD>UNDOCUMENTED
<DT><I>Cannot use newton pair with eam/gpu pair style</I>
<DD>UNDOCUMENTED
<DT><I>Cannot use newton pair with gayberne/gpu pair style</I> <DT><I>Cannot use newton pair with gayberne/gpu pair style</I>
<DD>UNDOCUMENTED <DD>UNDOCUMENTED
@ -1391,6 +1407,14 @@ neighbor cutoff. Use the "nsq" style instead of "bin" style.
<DD>UNDOCUMENTED <DD>UNDOCUMENTED
<DT><I>Cannot use newton pair with table/gpu pair style</I>
<DD>UNDOCUMENTED
<DT><I>Cannot use newton pair with yukawa/gpu pair style</I>
<DD>UNDOCUMENTED
<DT><I>Cannot use non-zero forces in an energy minimization</I> <DT><I>Cannot use non-zero forces in an energy minimization</I>
<DD>Fix setforce cannot be used in this manner. Use fix addforce <DD>Fix setforce cannot be used in this manner. Use fix addforce

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@ -13,18 +13,24 @@
</H3> </H3>
<H3>pair_style buck/cuda command <H3>pair_style buck/cuda command
</H3> </H3>
<H3>pair_style buck/gpu command
</H3>
<H3>pair_style buck/omp command <H3>pair_style buck/omp command
</H3> </H3>
<H3>pair_style buck/coul/cut command <H3>pair_style buck/coul/cut command
</H3> </H3>
<H3>pair_style buck/coul/cut/cuda command <H3>pair_style buck/coul/cut/cuda command
</H3> </H3>
<H3>pair_style buck/coul/cut/gpu command
</H3>
<H3>pair_style buck/coul/cut/omp command <H3>pair_style buck/coul/cut/omp command
</H3> </H3>
<H3>pair_style buck/coul/long command <H3>pair_style buck/coul/long command
</H3> </H3>
<H3>pair_style buck/coul/long/cuda command <H3>pair_style buck/coul/long/cuda command
</H3> </H3>
<H3>pair_style buck/coul/long/gpu command
</H3>
<H3>pair_style buck/coul/long/omp command <H3>pair_style buck/coul/long/omp command
</H3> </H3>
<P><B>Syntax:</B> <P><B>Syntax:</B>

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@ -13,6 +13,8 @@
</H3> </H3>
<H3>pair_style eam/cuda command <H3>pair_style eam/cuda command
</H3> </H3>
<H3>pair_style eam/gpu command
</H3>
<H3>pair_style eam/omp command <H3>pair_style eam/omp command
</H3> </H3>
<H3>pair_style eam/opt command <H3>pair_style eam/opt command
@ -21,6 +23,8 @@
</H3> </H3>
<H3>pair_style eam/alloy/cuda command <H3>pair_style eam/alloy/cuda command
</H3> </H3>
<H3>pair_style eam/alloy/gpu command
</H3>
<H3>pair_style eam/alloy/omp command <H3>pair_style eam/alloy/omp command
</H3> </H3>
<H3>pair_style eam/alloy/opt command <H3>pair_style eam/alloy/opt command
@ -33,6 +37,8 @@
</H3> </H3>
<H3>pair_style eam/fs/cuda command <H3>pair_style eam/fs/cuda command
</H3> </H3>
<H3>pair_style eam/fs/gpu command
</H3>
<H3>pair_style eam/fs/omp command <H3>pair_style eam/fs/omp command
</H3> </H3>
<H3>pair_style eam/fs/opt command <H3>pair_style eam/fs/opt command

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@ -11,6 +11,8 @@
<H3>pair_style table command <H3>pair_style table command
</H3> </H3>
<H3>pair_style table/gpu command
</H3>
<H3>pair_style table/omp command <H3>pair_style table/omp command
</H3> </H3>
<P><B>Syntax:</B> <P><B>Syntax:</B>

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@ -11,6 +11,8 @@
<H3>pair_style yukawa command <H3>pair_style yukawa command
</H3> </H3>
<H3>pair_style yukawa/gpu command
</H3>
<H3>pair_style yukawa/omp command <H3>pair_style yukawa/omp command
</H3> </H3>
<P><B>Syntax:</B> <P><B>Syntax:</B>