Updating docs for Kokkkos

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15830 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
stamoor
2016-11-01 15:22:44 +00:00
parent 8e0b69478a
commit 639b22cd56
3 changed files with 59 additions and 0 deletions

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@ -8,6 +8,7 @@
fix reax/bonds command :h3
fix reax/c/bonds command :h3
fix reax/c/bonds/kk command :h3
[Syntax:]
@ -47,6 +48,31 @@ commands"_Section_howto.html#howto_15. No parameter of this fix can
be used with the {start/stop} keywords of the "run"_run.html command.
This fix is not invoked during "energy minimization"_minimize.html.
:line
Styles with a {gpu}, {intel}, {kk}, {omp}, 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 "Section_accelerate"_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 GPU, USER-INTEL, KOKKOS,
USER-OMP and OPT packages, respectively. They are only enabled if
LAMMPS was built with those packages. See the "Making
LAMMPS"_Section_start.html#start_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#start_7 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.
See "Section_accelerate"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.
:line
[Restrictions:]
The fix reax/bonds command requires that the "pair_style

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@ -7,6 +7,7 @@
:line
fix reax/c/species command :h3
fix reax/c/species/kk command :h3
[Syntax:]
@ -129,6 +130,31 @@ No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy
minimization"_minimize.html.
:line
Styles with a {gpu}, {intel}, {kk}, {omp}, 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 "Section_accelerate"_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 GPU, USER-INTEL, KOKKOS,
USER-OMP and OPT packages, respectively. They are only enabled if
LAMMPS was built with those packages. See the "Making
LAMMPS"_Section_start.html#start_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#start_7 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.
See "Section_accelerate"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.
:line
[Restrictions:]
The fix species currently only works with

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@ -94,6 +94,13 @@ 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.
NOTE: The default "run_style"_run_style.html verlet is invoked prior to
reading the input script and is therefore not affected by a suffix command
in the input script. The KOKKOS package requires "run_style verlet/kk",
so when using the KOKKOS package it is necessary to either use the command
line "-sf kk" command or add an explicit "run_style verlet" command to the
input script.
[Restrictions:] none
[Related commands:]