From c120ad3313c6aa6c21ff6eb8a44908510bb570e8 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 23 Aug 2011 21:11:24 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6764 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_commands.html | 21 +++++++++++---------- doc/Section_commands.txt | 1 + doc/pair_coul.html | 26 ++++++++++++++++++++++++++ doc/pair_coul.txt | 26 +++++++++++++++++++++++++- 4 files changed, 63 insertions(+), 11 deletions(-) diff --git a/doc/Section_commands.html b/doc/Section_commands.html index 0618a5d250..3671b787b1 100644 --- a/doc/Section_commands.html +++ b/doc/Section_commands.html @@ -442,16 +442,17 @@ package.
- - - - - - - - - - + + + + + + + + + +
born/coul/long/cudabuck/coul/cut/cudabuck/coul/long/cudabuck/cuda
cg/cmm/coul/cut/cudacg/cmm/coul/debye/cudacg/cmm/coul/long/cudacg/cmm/coul/long/gpu
cg/cmm/cudacg/cmm/gpueam/alloy/cudaeam/alloy/opt
eam/cudaeam/fs/cudaeam/fs/opteam/opt
gayberne/gpugran/hooke/cudalj/charmm/coul/charmm/cudalj/charmm/coul/charmm/implicit/cuda
lj/charmm/coul/long/cudalj/charmm/coul/long/gpulj/charmm/coul/long/optlj/class2/coul/cut/cuda
lj/class2/coul/long/cudalj/class2/coul/long/gpulj/class2/cudalj/class2/gpu
lj/cut/coul/cut/cudalj/cut/coul/cut/gpulj/cut/coul/debye/cudalj/cut/coul/long/cuda
lj/cut/coul/long/gpulj/cut/cudalj/cut/experimental/cudalj/cut/gpu
lj/cut/optlj/expand/cudalj/expand/gpulj/gromacs/coul/gromacs/cuda
lj/gromacs/cudalj/smooth/cudalj96/cut/cudalj96/cut/gpu
morse/cudamorse/gpumorse/optresquared/gpu +
cg/cmm/cudacg/cmm/gpucoul/long/gpueam/alloy/cuda
eam/alloy/opteam/cudaeam/fs/cudaeam/fs/opt
eam/optgayberne/gpugran/hooke/cudalj/charmm/coul/charmm/cuda
lj/charmm/coul/charmm/implicit/cudalj/charmm/coul/long/cudalj/charmm/coul/long/gpulj/charmm/coul/long/opt
lj/class2/coul/cut/cudalj/class2/coul/long/cudalj/class2/coul/long/gpulj/class2/cuda
lj/class2/gpulj/cut/coul/cut/cudalj/cut/coul/cut/gpulj/cut/coul/debye/cuda
lj/cut/coul/long/cudalj/cut/coul/long/gpulj/cut/cudalj/cut/experimental/cuda
lj/cut/gpulj/cut/optlj/expand/cudalj/expand/gpu
lj/gromacs/coul/gromacs/cudalj/gromacs/cudalj/smooth/cudalj96/cut/cuda
lj96/cut/gpumorse/cudamorse/gpumorse/opt
resquared/gpu
diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index f9b9b1a189..8bc22c3a49 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -686,6 +686,7 @@ package"_Section_accelerate.html. "cg/cmm/coul/long/gpu"_pair_cmm.html, "cg/cmm/cuda"_pair_cmm.html, "cg/cmm/gpu"_pair_cmm.html, +"coul/long/gpu"_pair_coul.html, "eam/alloy/cuda"_pair_eam.html, "eam/alloy/opt"_pair_eam.html, "eam/cuda"_pair_eam.html, diff --git a/doc/pair_coul.html b/doc/pair_coul.html index 3cdc20760b..2d3b2f623d 100644 --- a/doc/pair_coul.html +++ b/doc/pair_coul.html @@ -15,12 +15,16 @@

pair_style coul/long command

+

pair_style coul/long/gpu command +

Syntax: 

pair_style coul/cut cutoff
 pair_style coul/debye kappa cutoff
 pair_style coul/long cutoff
+
pair_style coul/long/gpu cutoff 
+
@@ -89,6 +93,28 @@ Coulombic cutoff specified in the pair_style command.

+

Styles with a cuda, gpu, or opt 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 this section of the manual. +The accelerated styles take the same arguments and should produce the +same results, except for round-off and precision issues. +

+

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 Making LAMMPS +section for more info. +

+

You can specify the accelerated styles explicitly in your input script +by including their suffix, or you can use the -suffix command-line +switch when you invoke LAMMPS, or you can use +the suffix command in your input script. +

+

See this section of the manual for more +instructions on how to use the accelerated styles effectively. +

+
+

Mixing, shift, table, tail correction, restart, rRESPA info:

For atom type pairs I,J and I != J, the cutoff distance for the diff --git a/doc/pair_coul.txt b/doc/pair_coul.txt index d906461547..a51a3e15cd 100644 --- a/doc/pair_coul.txt +++ b/doc/pair_coul.txt @@ -9,12 +9,14 @@ pair_style coul/cut command :h3 pair_style coul/debye command :h3 pair_style coul/long command :h3 +pair_style coul/long/gpu command :h3 [Syntax:] pair_style coul/cut cutoff pair_style coul/debye kappa cutoff -pair_style coul/long cutoff :pre +pair_style coul/long cutoff +pair_style coul/long/gpu cutoff :pre cutoff = global cutoff for Coulombic interactions kappa = Debye length (inverse distance units) :ul @@ -84,6 +86,28 @@ Coulombic cutoff specified in the pair_style command. :line +Styles with a {cuda}, {gpu}, or {opt} 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 "this section"_Section_accelerate.html of the manual. +The accelerated styles take the same arguments and should produce the +same results, except for round-off and precision issues. + +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 "Making LAMMPS"_Section_start.html#2_3 +section for more info. + +You can specify the accelerated styles explicitly in your input script +by including their suffix, or you can use the "-suffix command-line +switch"_Section_start.html#2_6 when you invoke LAMMPS, or you can use +the "suffix"_suffix.html command in your input script. + +See "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the cutoff distance for the