Commit 99791ce0 authored by Steve Plimpton's avatar Steve Plimpton Committed by GitHub
Browse files

Merge pull request #632 from timattox/USER-DPD_kokkos_merge

Add Kokkos version of the USER-DPD package
parents b1706060 0248a7b9
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+24 −0
Original line number Diff line number Diff line
@@ -7,6 +7,7 @@
:line

fix dpd/energy command :h3
fix dpd/energy/kk command :h3

[Syntax:]

@@ -46,6 +47,29 @@ examples/USER/dpd directory.

: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 5"_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_6 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.

See "Section 5"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.

:line

[Restrictions:]

This command is part of the USER-DPD package.  It is only enabled if
+24 −0
Original line number Diff line number Diff line
@@ -7,6 +7,7 @@
:line

fix eos/table/rx command :h3
fix eos/table/rx/kk command :h3

[Syntax:]

@@ -152,6 +153,29 @@ no 0.93 0.00 0.000 -1.76 :pre

: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 5"_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_6 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.

See "Section 5"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.

:line

[Restrictions:]

This command is part of the USER-DPD package.  It is only enabled if
+24 −0
Original line number Diff line number Diff line
@@ -7,6 +7,7 @@
:line

fix rx command :h3
fix rx/kk command :h3

[Syntax:]

@@ -182,6 +183,29 @@ read_data data.dpd fix foo_SPECIES NULL Species

: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 5"_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_6 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.

See "Section 5"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.

:line

[Restrictions:]

This command is part of the USER-DPD package.  It is only enabled if
+24 −0
Original line number Diff line number Diff line
@@ -7,6 +7,7 @@
:line

fix shardlow command :h3
fix shardlow/kk command :h3

[Syntax:]

@@ -52,6 +53,29 @@ examples/USER/dpd directory.

: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 5"_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_6 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.

See "Section 5"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.

:line

[Restrictions:]

This command is part of the USER-DPD package.  It is only enabled if
+26 −0
Original line number Diff line number Diff line
@@ -7,6 +7,7 @@
:line

fix wall/lj93 command :h3
fix wall/lj93/kk command :h3
fix wall/lj126 command :h3
fix wall/lj1043 command :h3
fix wall/colloid command :h3
@@ -277,6 +278,31 @@ the total potential energy of the system (the quantity being
minimized), you MUST enable the "fix_modify"_fix_modify.html {energy}
option for this fix.

: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 5"_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_6 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.

See "Section 5"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.

:line

[Restrictions:] none

[Related commands:]
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