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:
@ -8,6 +8,7 @@
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fix reax/bonds command :h3
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fix reax/c/bonds command :h3
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fix reax/c/bonds/kk command :h3
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[Syntax:]
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@ -47,6 +48,31 @@ commands"_Section_howto.html#howto_15. No parameter of this fix can
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be used with the {start/stop} keywords of the "run"_run.html command.
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This fix is not invoked during "energy minimization"_minimize.html.
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:line
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Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
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functionally the same as the corresponding style without the suffix.
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They have been optimized to run faster, depending on your available
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hardware, as discussed in "Section_accelerate"_Section_accelerate.html
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of the manual. The accelerated styles take the same arguments and
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should produce the same results, except for round-off and precision
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issues.
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These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
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USER-OMP and OPT packages, respectively. They are only enabled if
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LAMMPS was built with those packages. See the "Making
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LAMMPS"_Section_start.html#start_3 section for more info.
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You can specify the accelerated styles explicitly in your input script
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by including their suffix, or you can use the "-suffix command-line
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switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
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use the "suffix"_suffix.html command in your input script.
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See "Section_accelerate"_Section_accelerate.html of the manual for
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more instructions on how to use the accelerated styles effectively.
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:line
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[Restrictions:]
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The fix reax/bonds command requires that the "pair_style
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@ -7,6 +7,7 @@
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:line
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fix reax/c/species command :h3
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fix reax/c/species/kk command :h3
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[Syntax:]
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@ -129,6 +130,31 @@ No parameter of this fix can be used with the {start/stop} keywords of
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the "run"_run.html command. This fix is not invoked during "energy
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minimization"_minimize.html.
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:line
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Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
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functionally the same as the corresponding style without the suffix.
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They have been optimized to run faster, depending on your available
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hardware, as discussed in "Section_accelerate"_Section_accelerate.html
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of the manual. The accelerated styles take the same arguments and
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should produce the same results, except for round-off and precision
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issues.
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These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
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USER-OMP and OPT packages, respectively. They are only enabled if
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LAMMPS was built with those packages. See the "Making
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LAMMPS"_Section_start.html#start_3 section for more info.
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You can specify the accelerated styles explicitly in your input script
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by including their suffix, or you can use the "-suffix command-line
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switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
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use the "suffix"_suffix.html command in your input script.
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See "Section_accelerate"_Section_accelerate.html of the manual for
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more instructions on how to use the accelerated styles effectively.
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:line
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[Restrictions:]
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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
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explictly appending or not appending the suffix to the relevant
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commands in your input script.
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NOTE: The default "run_style"_run_style.html verlet is invoked prior to
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reading the input script and is therefore not affected by a suffix command
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in the input script. The KOKKOS package requires "run_style verlet/kk",
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so when using the KOKKOS package it is necessary to either use the command
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line "-sf kk" command or add an explicit "run_style verlet" command to the
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input script.
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[Restrictions:] none
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[Related commands:]
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