From d46e44ca5a422f3f83f06f5ff97a8dbf0df29290 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 8 Jun 2011 21:46:03 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6348 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_commands.html | 22 ++++++++++----------- doc/Section_commands.txt | 36 +++++++++++++++++------------------ doc/compute_pe.html | 25 ++++++++++++++++++++++++ doc/compute_pe.txt | 24 +++++++++++++++++++++++ doc/compute_pressure.html | 25 ++++++++++++++++++++++++ doc/compute_pressure.txt | 24 +++++++++++++++++++++++ doc/compute_temp.html | 25 ++++++++++++++++++++++++ doc/compute_temp.txt | 24 +++++++++++++++++++++++ doc/compute_temp_partial.html | 25 ++++++++++++++++++++++++ doc/compute_temp_partial.txt | 24 +++++++++++++++++++++++ doc/fix_addforce.html | 25 ++++++++++++++++++++++++ doc/fix_addforce.txt | 24 +++++++++++++++++++++++ doc/fix_aveforce.html | 25 ++++++++++++++++++++++++ doc/fix_aveforce.txt | 24 +++++++++++++++++++++++ doc/fix_enforce2d.html | 25 ++++++++++++++++++++++++ doc/fix_enforce2d.txt | 24 +++++++++++++++++++++++ doc/fix_freeze.html | 25 ++++++++++++++++++++++++ doc/fix_freeze.txt | 24 +++++++++++++++++++++++ doc/fix_gravity.html | 25 ++++++++++++++++++++++++ doc/fix_gravity.txt | 24 +++++++++++++++++++++++ doc/fix_nh.html | 27 ++++++++++++++++++++++++++ doc/fix_nh.txt | 25 ++++++++++++++++++++++++ doc/fix_nve.html | 25 ++++++++++++++++++++++++ doc/fix_nve.txt | 24 +++++++++++++++++++++++ doc/fix_setforce.html | 25 ++++++++++++++++++++++++ doc/fix_setforce.txt | 24 +++++++++++++++++++++++ doc/fix_shake.html | 25 ++++++++++++++++++++++++ doc/fix_shake.txt | 24 +++++++++++++++++++++++ doc/fix_temp_berendsen.html | 25 ++++++++++++++++++++++++ doc/fix_temp_berendsen.txt | 24 +++++++++++++++++++++++ doc/fix_temp_rescale.html | 27 ++++++++++++++++++++++++++ doc/fix_temp_rescale.txt | 25 ++++++++++++++++++++++++ doc/fix_viscous.html | 25 ++++++++++++++++++++++++ doc/fix_viscous.txt | 24 +++++++++++++++++++++++ doc/pair_born.html | 24 +++++++++++++++++++++++ doc/pair_born.txt | 23 ++++++++++++++++++++++ doc/pair_buck.html | 28 +++++++++++++++++++++++++++ doc/pair_buck.txt | 25 ++++++++++++++++++++++++ doc/pair_charmm.html | 6 ++++++ doc/pair_charmm.txt | 3 +++ doc/pair_class2.html | 10 ++++++++-- doc/pair_class2.txt | 5 ++++- doc/pair_cmm.html | 8 ++++++++ doc/pair_cmm.txt | 4 ++++ doc/pair_eam.html | 6 ++++++ doc/pair_eam.txt | 3 +++ doc/pair_gran.html | 24 +++++++++++++++++++++++ doc/pair_gran.txt | 23 ++++++++++++++++++++++ doc/pair_gromacs.html | 26 +++++++++++++++++++++++++ doc/pair_gromacs.txt | 24 +++++++++++++++++++++++ doc/pair_lj.html | 10 ++++++++++ doc/pair_lj.txt | 5 +++++ doc/pair_lj96_cut.html | 2 ++ doc/pair_lj96_cut.txt | 1 + doc/pair_lj_expand.html | 2 ++ doc/pair_lj_expand.txt | 1 + doc/pair_lj_smooth.html | 24 +++++++++++++++++++++++ doc/pair_lj_smooth.txt | 23 ++++++++++++++++++++++ doc/pair_morse.html | 2 ++ doc/pair_morse.txt | 1 + 60 files changed, 1129 insertions(+), 32 deletions(-) diff --git a/doc/Section_commands.html b/doc/Section_commands.html index 442973b2f4..fee185afd8 100644 --- a/doc/Section_commands.html +++ b/doc/Section_commands.html @@ -439,17 +439,17 @@ package.

- - - - - - - - - - - + + + + + + + + + +
born/coul/long/cudabuck/coul/cut/cudabuck/coul/long/cudabuck/cuda
cg/cmm/cudacg/cmm/coul/cut/cudacg/cmm/coul/debye/cudacg/cmm/coul/long/cuda
lj/cut/coul/long/cudaeam/alloy/cudaeam/cudaeam/fs/cuda
gran/hooke/cudalj/charmm/coul/charmm/cudalj/charmm/coul/charmm/implicit/cudalj/charmm/coul/long/cuda
lj/class2/coul/cut/cudalj/class2/cudalj/class2/gpulj/class2/coul/long/cuda
lj/class2/coul/long/gpulj/cut/coul/cut/cudalj/cut/coul/debye/cudalj/cut/cuda
lj/cut/experimental/cudalj/expand/cudalj/gromacs/coul/gromacs/cudalj/gromacs/cuda
lj/smooth/cudalj96/cut/cudamorse/cudagayberne/gpu
cg/cmm/gpucg/cmm/coul/long/gpulj/charmm/coul/long/gpulj/cut/coul/cut/gpu
lj/cut/coul/long/gpulj/cut/gpulj/expand/gpulj96/cut/gpu
morse/gpueam/opteam/alloy/opteam/fs/opt
lj/charmm/coul/long/optlj/cut/optmorse/optresquared/gpu +
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

diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index 1756cc0735..4be161de99 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -674,48 +674,48 @@ package"_Section_accelerate.html. "buck/coul/cut/cuda"_pair_buck.html, "buck/coul/long/cuda"_pair_buck.html, "buck/cuda"_pair_buck.html, -"cg/cmm/cuda"_pair_cmm.html, "cg/cmm/coul/cut/cuda"_pair_cmm.html, "cg/cmm/coul/debye/cuda"_pair_cmm.html, "cg/cmm/coul/long/cuda"_pair_cmm.html, -"lj/cut/coul/long/cuda"_pair_lj.html, +"cg/cmm/coul/long/gpu"_pair_cmm.html, +"cg/cmm/cuda"_pair_cmm.html, +"cg/cmm/gpu"_pair_cmm.html, "eam/alloy/cuda"_pair_eam.html, +"eam/alloy/opt"_pair_eam.html, "eam/cuda"_pair_eam.html, "eam/fs/cuda"_pair_eam.html, +"eam/fs/opt"_pair_eam.html, +"eam/opt"_pair_eam.html, +"gayberne/gpu"_pair_gayberne.html, "gran/hooke/cuda"_pair_gran.html, "lj/charmm/coul/charmm/cuda"_pair_charmm.html, "lj/charmm/coul/charmm/implicit/cuda"_pair_charmm.html, "lj/charmm/coul/long/cuda"_pair_charmm.html, +"lj/charmm/coul/long/gpu"_pair_charmm.html, +"lj/charmm/coul/long/opt"_pair_charmm.html, "lj/class2/coul/cut/cuda"_pair_class2.html, -"lj/class2/cuda"_pair_class2.html, -"lj/class2/gpu"_pair_class2.html, "lj/class2/coul/long/cuda"_pair_class2.html, "lj/class2/coul/long/gpu"_pair_class2.html, +"lj/class2/cuda"_pair_class2.html, +"lj/class2/gpu"_pair_class2.html, "lj/cut/coul/cut/cuda"_pair_lj.html, +"lj/cut/coul/cut/gpu"_pair_lj.html, "lj/cut/coul/debye/cuda"_pair_lj.html, +"lj/cut/coul/long/cuda"_pair_lj.html, +"lj/cut/coul/long/gpu"_pair_lj.html, "lj/cut/cuda"_pair_lj.html, "lj/cut/experimental/cuda"_pair_lj.html, +"lj/cut/gpu"_pair_lj.html, +"lj/cut/opt"_pair_lj.html, "lj/expand/cuda"_pair_lj_expand.html, +"lj/expand/gpu"_pair_lj_expand.html, "lj/gromacs/coul/gromacs/cuda"_pair_gromacs.html, "lj/gromacs/cuda"_pair_gromacs.html, "lj/smooth/cuda"_pair_lj_smooth.html, "lj96/cut/cuda"_pair_lj96.html, -"morse/cuda"_pair_morse.html, -"gayberne/gpu"_pair_gayberne.html, -"cg/cmm/gpu"_pair_cmm.html, -"cg/cmm/coul/long/gpu"_pair_cmm.html, -"lj/charmm/coul/long/gpu"_pair_charmm.html, -"lj/cut/coul/cut/gpu"_pair_lj.html, -"lj/cut/coul/long/gpu"_pair_lj.html, -"lj/cut/gpu"_pair_lj.html, -"lj/expand/gpu"_pair_lj_expand.html, "lj96/cut/gpu"_pair_lj96.html, +"morse/cuda"_pair_morse.html, "morse/gpu"_pair_morse.html, -"eam/opt"_pair_eam.html, -"eam/alloy/opt"_pair_eam.html, -"eam/fs/opt"_pair_eam.html, -"lj/charmm/coul/long/opt"_pair_charmm.html, -"lj/cut/opt"_pair_lj.html, "morse/opt"_pair_morse.html, "resquared/gpu"_pair_resquared.html :tb(c=4,ea=c) diff --git a/doc/compute_pe.html b/doc/compute_pe.html index b7ed4a3d2c..b970a70c5e 100644 --- a/doc/compute_pe.html +++ b/doc/compute_pe.html @@ -11,6 +11,8 @@

compute pe command

+

compute pe/cuda command +

Syntax:

compute ID group-ID pe keyword ... 
@@ -54,6 +56,29 @@ LAMMPS starts up, as if this command were in the input script:
 

See the "thermo_style" command for more details.

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Output info:

This compute calculates a global scalar (the potential energy). This diff --git a/doc/compute_pe.txt b/doc/compute_pe.txt index c5f38b019c..d013bd8c28 100644 --- a/doc/compute_pe.txt +++ b/doc/compute_pe.txt @@ -7,6 +7,7 @@ :line compute pe command :h3 +compute pe/cuda command :h3 [Syntax:] @@ -51,6 +52,29 @@ compute thermo_pe all pe :pre See the "thermo_style" command for more details. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Output info:] This compute calculates a global scalar (the potential energy). This diff --git a/doc/compute_pressure.html b/doc/compute_pressure.html index 0f7da7ccc8..9447911a96 100644 --- a/doc/compute_pressure.html +++ b/doc/compute_pressure.html @@ -11,6 +11,8 @@

compute pressure command

+

compute pressure/cuda command +

Syntax:

compute ID group-ID pressure temp-ID keyword ... 
@@ -84,6 +86,29 @@ LAMMPS starts up, as if this command were in the input script:
 

where "thermo_temp" is the ID of a similarly defined compute of style "temp". See the "thermo_style" command for more details.

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Output info:

This compute calculates a global scalar (the pressure) and a global diff --git a/doc/compute_pressure.txt b/doc/compute_pressure.txt index ba6a60cfe7..f9ee304375 100644 --- a/doc/compute_pressure.txt +++ b/doc/compute_pressure.txt @@ -7,6 +7,7 @@ :line compute pressure command :h3 +compute pressure/cuda command :h3 [Syntax:] @@ -81,6 +82,29 @@ compute thermo_press all pressure thermo_temp :pre where "thermo_temp" is the ID of a similarly defined compute of style "temp". See the "thermo_style" command for more details. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Output info:] This compute calculates a global scalar (the pressure) and a global diff --git a/doc/compute_temp.html b/doc/compute_temp.html index 9c7209c9ec..f5ddf4e3d3 100644 --- a/doc/compute_temp.html +++ b/doc/compute_temp.html @@ -11,6 +11,8 @@

compute temp command

+

compute temp/cuda command +

Syntax:

compute ID group-ID temp 
@@ -64,6 +66,29 @@ LAMMPS starts up, as if this command were in the input script:
 discussion of different ways to compute temperature and perform
 thermostatting.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Output info:

This compute calculates a global scalar (the temperature) and a global diff --git a/doc/compute_temp.txt b/doc/compute_temp.txt index 32bb3658a9..1898016f0f 100644 --- a/doc/compute_temp.txt +++ b/doc/compute_temp.txt @@ -7,6 +7,7 @@ :line compute temp command :h3 +compute temp/cuda command :h3 [Syntax:] @@ -61,6 +62,29 @@ See "this howto section"_Section_howto.html#4_16 of the manual for a discussion of different ways to compute temperature and perform thermostatting. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Output info:] This compute calculates a global scalar (the temperature) and a global diff --git a/doc/compute_temp_partial.html b/doc/compute_temp_partial.html index 9ea238c850..55c2a57bd4 100644 --- a/doc/compute_temp_partial.html +++ b/doc/compute_temp_partial.html @@ -11,6 +11,8 @@

compute temp/partial command

+

compute temp/partial/cuda command +

Syntax:

compute ID group-ID temp/partial xflag yflag zflag 
@@ -72,6 +74,29 @@ needed, the subtracted degrees-of-freedom can be altered using the
 discussion of different ways to compute temperature and perform
 thermostatting.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Output info:

This compute calculates a global scalar (the temperature) and a global diff --git a/doc/compute_temp_partial.txt b/doc/compute_temp_partial.txt index 7b999f69c3..f4b01f03ed 100644 --- a/doc/compute_temp_partial.txt +++ b/doc/compute_temp_partial.txt @@ -7,6 +7,7 @@ :line compute temp/partial command :h3 +compute temp/partial/cuda command :h3 [Syntax:] @@ -69,6 +70,29 @@ See "this howto section"_Section_howto.html#4_16 of the manual for a discussion of different ways to compute temperature and perform thermostatting. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Output info:] This compute calculates a global scalar (the temperature) and a global diff --git a/doc/fix_addforce.html b/doc/fix_addforce.html index ad75e1facb..16b3342640 100644 --- a/doc/fix_addforce.html +++ b/doc/fix_addforce.html @@ -11,6 +11,8 @@

fix addforce command

+

fix addforce/cuda command +

Syntax:

fix ID group-ID addforce fx fy fz keyword value ... 
@@ -105,6 +107,29 @@ were a spring-like F = kx, then the energy formula should be E =
 -0.5kx^2.  If you don't do this correctly, the minimization will not
 converge properly.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_addforce.txt b/doc/fix_addforce.txt index ca8bb88269..9faa429813 100644 --- a/doc/fix_addforce.txt +++ b/doc/fix_addforce.txt @@ -7,6 +7,7 @@ :line fix addforce command :h3 +fix addforce/cuda command :h3 [Syntax:] @@ -95,6 +96,29 @@ were a spring-like F = kx, then the energy formula should be E = -0.5kx^2. If you don't do this correctly, the minimization will not converge properly. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/fix_aveforce.html b/doc/fix_aveforce.html index 2a0e6fe28d..d671deb1ec 100644 --- a/doc/fix_aveforce.html +++ b/doc/fix_aveforce.html @@ -11,6 +11,8 @@

fix aveforce command

+

fix aveforce/cuda command +

Syntax:

fix ID group-ID aveforce fx fy fz keyword value ... 
@@ -71,6 +73,29 @@ time.  Thus it is easy to specify a time-dependent average force.
 specified geometric region in order to have force added
 to it.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_aveforce.txt b/doc/fix_aveforce.txt index b6a5399df1..996c85ea54 100644 --- a/doc/fix_aveforce.txt +++ b/doc/fix_aveforce.txt @@ -7,6 +7,7 @@ :line fix aveforce command :h3 +fix aveforce/cuda command :h3 [Syntax:] @@ -61,6 +62,29 @@ If the {region} keyword is used, the atom must also be in the specified geometric "region"_region.html in order to have force added to it. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/fix_enforce2d.html b/doc/fix_enforce2d.html index 778d80d60a..737a853770 100644 --- a/doc/fix_enforce2d.html +++ b/doc/fix_enforce2d.html @@ -11,6 +11,8 @@

fix enforce2d command

+

fix enforce2d/cuda command +

Syntax:

fix ID group-ID enforce2d 
@@ -28,6 +30,29 @@
 This is useful when running a 2d simulation to insure that atoms do
 not move from their initial z coordinate.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_enforce2d.txt b/doc/fix_enforce2d.txt index 12fc0948a0..d266edc563 100644 --- a/doc/fix_enforce2d.txt +++ b/doc/fix_enforce2d.txt @@ -7,6 +7,7 @@ :line fix enforce2d command :h3 +fix enforce2d/cuda command :h3 [Syntax:] @@ -25,6 +26,29 @@ Zero out the z-dimension velocity and force on each atom in the group. This is useful when running a 2d simulation to insure that atoms do not move from their initial z coordinate. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/fix_freeze.html b/doc/fix_freeze.html index 9b6d93cb57..18cb516256 100644 --- a/doc/fix_freeze.html +++ b/doc/fix_freeze.html @@ -11,6 +11,8 @@

fix freeze command

+

fix freeze/cuda command +

Syntax:

fix ID group-ID freeze 
@@ -30,6 +32,29 @@ for preventing certain particles from moving in a simulation.  The
 defined and compute interactions between frozen and non-frozen
 particles appropriately, as if the frozen particle has infinite mass.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_freeze.txt b/doc/fix_freeze.txt index 2a3d7158d3..45cae7bbb0 100644 --- a/doc/fix_freeze.txt +++ b/doc/fix_freeze.txt @@ -7,6 +7,7 @@ :line fix freeze command :h3 +fix freeze/cuda command :h3 [Syntax:] @@ -27,6 +28,29 @@ for preventing certain particles from moving in a simulation. The defined and compute interactions between frozen and non-frozen particles appropriately, as if the frozen particle has infinite mass. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/fix_gravity.html b/doc/fix_gravity.html index 93e8e296d4..7c40c5e788 100644 --- a/doc/fix_gravity.html +++ b/doc/fix_gravity.html @@ -11,6 +11,8 @@

fix gravity command

+

fix gravity/cuda command +

Syntax:

fix ID group gravity style magnitude args 
@@ -85,6 +87,29 @@ For 2d systems, phi and phi_grad are ignored.
 

Style vector imposes an acceleration in the vector direction given by (x,y,z). For 2d systems, the z component is ignored.

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_gravity.txt b/doc/fix_gravity.txt index 17dfcf63ad..cb2c902219 100644 --- a/doc/fix_gravity.txt +++ b/doc/fix_gravity.txt @@ -7,6 +7,7 @@ :line fix gravity command :h3 +fix gravity/cuda command :h3 [Syntax:] @@ -77,6 +78,29 @@ For 2d systems, {phi} and {phi_grad} are ignored. Style {vector} imposes an acceleration in the vector direction given by (x,y,z). For 2d systems, the z component is ignored. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/fix_nh.html b/doc/fix_nh.html index b477cea8dd..757319b5cd 100644 --- a/doc/fix_nh.html +++ b/doc/fix_nh.html @@ -11,8 +11,12 @@

fix nvt command

+

fix nvt/cuda command +

fix npt command

+

fix npt/cuda command +

fix nph command

Syntax: @@ -344,6 +348,29 @@ temperature is calculated taking the bias into account, bias is removed from each atom, thermostatting is performed on the remaining thermal degrees of freedom, and the bias is added back in.

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

These fixes writes the state of all the thermostat and barostat diff --git a/doc/fix_nh.txt b/doc/fix_nh.txt index 026caa8348..e44e24b16f 100644 --- a/doc/fix_nh.txt +++ b/doc/fix_nh.txt @@ -7,7 +7,9 @@ :line fix nvt command :h3 +fix nvt/cuda command :h3 fix npt command :h3 +fix npt/cuda command :h3 fix nph command :h3 [Syntax:] @@ -336,6 +338,29 @@ temperature is calculated taking the bias into account, bias is removed from each atom, thermostatting is performed on the remaining thermal degrees of freedom, and the bias is added back in. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] These fixes writes the state of all the thermostat and barostat diff --git a/doc/fix_nve.html b/doc/fix_nve.html index 179718d2b7..5b9b630495 100644 --- a/doc/fix_nve.html +++ b/doc/fix_nve.html @@ -11,6 +11,8 @@

fix nve command

+

fix nve/cuda command +

Syntax:

fix ID group-ID nve 
@@ -29,6 +31,29 @@ atoms in the group each timestep.  V is volume; E is energy.  This
 creates a system trajectory consistent with the microcanonical
 ensemble.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_nve.txt b/doc/fix_nve.txt index 6c153cf492..c60d3b123f 100644 --- a/doc/fix_nve.txt +++ b/doc/fix_nve.txt @@ -7,6 +7,7 @@ :line fix nve command :h3 +fix nve/cuda command :h3 [Syntax:] @@ -26,6 +27,29 @@ atoms in the group each timestep. V is volume; E is energy. This creates a system trajectory consistent with the microcanonical ensemble. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/fix_setforce.html b/doc/fix_setforce.html index 747678ae10..234db2821d 100644 --- a/doc/fix_setforce.html +++ b/doc/fix_setforce.html @@ -11,6 +11,8 @@

fix setforce command

+

fix setforce/cuda command +

Syntax:

fix ID group-ID setforce fx fy fz keyword value ... 
@@ -72,6 +74,29 @@ field with optional time-dependence as well.
 specified geometric region in order to have force added
 to it.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_setforce.txt b/doc/fix_setforce.txt index a1c28b24de..9d578060b1 100644 --- a/doc/fix_setforce.txt +++ b/doc/fix_setforce.txt @@ -7,6 +7,7 @@ :line fix setforce command :h3 +fix setforce/cuda command :h3 [Syntax:] @@ -62,6 +63,29 @@ If the {region} keyword is used, the atom must also be in the specified geometric "region"_region.html in order to have force added to it. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/fix_shake.html b/doc/fix_shake.html index 60889344b4..aaf07a9f39 100644 --- a/doc/fix_shake.html +++ b/doc/fix_shake.html @@ -11,6 +11,8 @@

fix shake command

+

fix shake/cuda command +

Syntax:

fix ID group-ID shake tol iter N keyword values ... 
@@ -86,6 +88,29 @@ for in temperature and pressure computations.  Similarly, the SHAKE
 contribution to the pressure of the system (virial) is also accounted
 for.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_shake.txt b/doc/fix_shake.txt index 82a5361aca..eb73980317 100644 --- a/doc/fix_shake.txt +++ b/doc/fix_shake.txt @@ -7,6 +7,7 @@ :line fix shake command :h3 +fix shake/cuda command :h3 [Syntax:] @@ -75,6 +76,29 @@ for in temperature and pressure computations. Similarly, the SHAKE contribution to the pressure of the system (virial) is also accounted for. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/fix_temp_berendsen.html b/doc/fix_temp_berendsen.html index 5c3d174d97..9fc9d5f153 100644 --- a/doc/fix_temp_berendsen.html +++ b/doc/fix_temp_berendsen.html @@ -11,6 +11,8 @@

fix temp/berendsen command

+

fix temp/berendsen/cuda command +

Syntax:

fix ID group-ID temp/berendsen Tstart Tstop Tdamp 
@@ -93,6 +95,29 @@ temperature is calculated taking the bias into account, bias is
 removed from each atom, thermostatting is performed on the remaining
 thermal degrees of freedom, and the bias is added back in.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_temp_berendsen.txt b/doc/fix_temp_berendsen.txt index f1a12f7041..51da35ce72 100644 --- a/doc/fix_temp_berendsen.txt +++ b/doc/fix_temp_berendsen.txt @@ -7,6 +7,7 @@ :line fix temp/berendsen command :h3 +fix temp/berendsen/cuda command :h3 [Syntax:] @@ -90,6 +91,29 @@ temperature is calculated taking the bias into account, bias is removed from each atom, thermostatting is performed on the remaining thermal degrees of freedom, and the bias is added back in. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/fix_temp_rescale.html b/doc/fix_temp_rescale.html index 05896d6c36..8bc0e6c2ef 100644 --- a/doc/fix_temp_rescale.html +++ b/doc/fix_temp_rescale.html @@ -11,6 +11,10 @@

fix temp/rescale command

+

fix temp/rescale/cuda command +

+

fix temp/rescale/limit/cuda command +

Syntax:

fix ID group-ID temp/rescale N Tstart Tstop window fraction 
@@ -100,6 +104,29 @@ temperature is calculated taking the bias into account, bias is
 removed from each atom, thermostatting is performed on the remaining
 thermal degrees of freedom, and the bias is added back in.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_temp_rescale.txt b/doc/fix_temp_rescale.txt index f972ce7413..60d45b7c20 100644 --- a/doc/fix_temp_rescale.txt +++ b/doc/fix_temp_rescale.txt @@ -7,6 +7,8 @@ :line fix temp/rescale command :h3 +fix temp/rescale/cuda command :h3 +fix temp/rescale/limit/cuda command :h3 [Syntax:] @@ -97,6 +99,29 @@ temperature is calculated taking the bias into account, bias is removed from each atom, thermostatting is performed on the remaining thermal degrees of freedom, and the bias is added back in. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/fix_viscous.html b/doc/fix_viscous.html index 89fb55177d..3bc7229477 100644 --- a/doc/fix_viscous.html +++ b/doc/fix_viscous.html @@ -11,6 +11,8 @@

fix viscous command

+

fix viscous/cuda command +

Syntax:

fix ID group-ID viscous gamma keyword values ... 
@@ -80,6 +82,29 @@ the damping parameter of fix langevin, except
 the units of gamma are force/velocity and the units of damp are time,
 so that it can more easily be used as a thermostat.
 

+
+ +

Styles with a cuda 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" package. They +are only enabled if LAMMPS was built with that package. 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. +

+
+

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff --git a/doc/fix_viscous.txt b/doc/fix_viscous.txt index 1793eea8e7..7c2262a347 100644 --- a/doc/fix_viscous.txt +++ b/doc/fix_viscous.txt @@ -7,6 +7,7 @@ :line fix viscous command :h3 +fix viscous/cuda command :h3 [Syntax:] @@ -72,6 +73,29 @@ the damping parameter of "fix langevin"_fix_langevin.html, except that the units of gamma are force/velocity and the units of damp are time, so that it can more easily be used as a thermostat. +:line + +Styles with a {cuda} 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" package. They +are only enabled if LAMMPS was built with that package. 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 + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/pair_born.html b/doc/pair_born.html index a478fcf3b2..fd808271f5 100644 --- a/doc/pair_born.html +++ b/doc/pair_born.html @@ -13,6 +13,8 @@

pair_style born/coul/long command

+

pair_style born/coul/long/cuda command +

Syntax:

pair_style style args 
@@ -87,6 +89,28 @@ 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:

These pair styles do not support mixing. Thus, coefficients for all diff --git a/doc/pair_born.txt b/doc/pair_born.txt index 5c737b3dcb..94bcf81a0d 100644 --- a/doc/pair_born.txt +++ b/doc/pair_born.txt @@ -9,6 +9,7 @@ pair_style born command :h3 pair_style born/coul/long command :h3 +pair_style born/coul/long/cuda command :h3 [Syntax:] @@ -83,6 +84,28 @@ 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]: These pair styles do not support mixing. Thus, coefficients for all diff --git a/doc/pair_buck.html b/doc/pair_buck.html index 3b0c670af2..c38c22b979 100644 --- a/doc/pair_buck.html +++ b/doc/pair_buck.html @@ -11,10 +11,16 @@

pair_style buck command

+

pair_style buck/cuda command +

pair_style buck/coul/cut command

+

pair_style buck/coul/cut/cuda command +

pair_style buck/coul/long command

+

pair_style buck/coul/long/cuda command +

Syntax:

pair_style style args 
@@ -104,6 +110,28 @@ 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:

These pair styles do not support mixing. Thus, coefficients for all diff --git a/doc/pair_buck.txt b/doc/pair_buck.txt index e9ba8e4670..a972cfdf50 100644 --- a/doc/pair_buck.txt +++ b/doc/pair_buck.txt @@ -7,8 +7,11 @@ :line pair_style buck command :h3 +pair_style buck/cuda command :h3 pair_style buck/coul/cut command :h3 +pair_style buck/coul/cut/cuda command :h3 pair_style buck/coul/long command :h3 +pair_style buck/coul/long/cuda command :h3 [Syntax:] @@ -98,6 +101,28 @@ 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]: These pair styles do not support mixing. Thus, coefficients for all diff --git a/doc/pair_charmm.html b/doc/pair_charmm.html index fe4d0342a6..78a407cec8 100644 --- a/doc/pair_charmm.html +++ b/doc/pair_charmm.html @@ -11,10 +11,16 @@

pair_style lj/charmm/coul/charmm command

+

pair_style lj/charmm/coul/charmm/cuda command +

pair_style lj/charmm/coul/charmm/implicit command

+

pair_style lj/charmm/coul/charmm/implicit/cuda command +

pair_style lj/charmm/coul/long command

+

pair_style lj/charmm/coul/long/cuda command +

pair_style lj/charmm/coul/long/gpu command

pair_style lj/charmm/coul/long/opt command diff --git a/doc/pair_charmm.txt b/doc/pair_charmm.txt index d798431b4a..335bbba75d 100644 --- a/doc/pair_charmm.txt +++ b/doc/pair_charmm.txt @@ -7,8 +7,11 @@ :line pair_style lj/charmm/coul/charmm command :h3 +pair_style lj/charmm/coul/charmm/cuda command :h3 pair_style lj/charmm/coul/charmm/implicit command :h3 +pair_style lj/charmm/coul/charmm/implicit/cuda command :h3 pair_style lj/charmm/coul/long command :h3 +pair_style lj/charmm/coul/long/cuda command :h3 pair_style lj/charmm/coul/long/gpu command :h3 pair_style lj/charmm/coul/long/opt command :h3 diff --git a/doc/pair_class2.html b/doc/pair_class2.html index f060f65814..0290f019c2 100644 --- a/doc/pair_class2.html +++ b/doc/pair_class2.html @@ -11,12 +11,18 @@

pair_style lj/class2 command

+

pair_style lj/class2/cuda command +

pair_style lj/class2/gpu command

pair_style lj/class2/coul/cut command

+

pair_style lj/class2/coul/cut/cuda command +

pair_style lj/class2/coul/long command

+

pair_style lj/class2/coul/long/cuda command +

pair_style lj/class2/coul/long/gpu command

Syntax: @@ -90,8 +96,8 @@ since a Coulombic cutoff cannot be specified for an individual I,J type pair. All type pairs use the same global Coulombic cutoff specified in the pair_style command.

-

: line -

+
+

If the pair_coeff command is not used to define coefficients for a particular I != J type pair, the mixing rule for epsilon and sigma for all class2 potentials is to use the sixthpower formulas documented diff --git a/doc/pair_class2.txt b/doc/pair_class2.txt index 1fec8f5db6..a51a721d18 100644 --- a/doc/pair_class2.txt +++ b/doc/pair_class2.txt @@ -7,9 +7,12 @@ :line pair_style lj/class2 command :h3 +pair_style lj/class2/cuda command :h3 pair_style lj/class2/gpu command :h3 pair_style lj/class2/coul/cut command :h3 +pair_style lj/class2/coul/cut/cuda command :h3 pair_style lj/class2/coul/long command :h3 +pair_style lj/class2/coul/long/cuda command :h3 pair_style lj/class2/coul/long/gpu command :h3 [Syntax:] @@ -82,7 +85,7 @@ since a Coulombic cutoff cannot be specified for an individual I,J type pair. All type pairs use the same global Coulombic cutoff specified in the pair_style command. -: line +:line If the pair_coeff command is not used to define coefficients for a particular I != J type pair, the mixing rule for epsilon and sigma for diff --git a/doc/pair_cmm.html b/doc/pair_cmm.html index 76fbb900f1..0c8884a3ce 100644 --- a/doc/pair_cmm.html +++ b/doc/pair_cmm.html @@ -11,14 +11,22 @@

pair_style cg/cmm command

+

pair_style cg/cmm/cuda command +

pair_style cg/cmm/gpu command

pair_style cg/cmm/coul/cut command

+

pair_style cg/cmm/coul/cut/cuda command +

+

pair_style cg/cmm/coul/debye/cuda command +

pair_style cg/cmm/coul/long command

pair_style cg/cmm/coul/long/gpu command

+

pair_style cg/cmm/coul/long/cuda command +

Syntax:

pair_style style args 
diff --git a/doc/pair_cmm.txt b/doc/pair_cmm.txt
index 0fd0cd8759..d70be6f6e6 100644
--- a/doc/pair_cmm.txt
+++ b/doc/pair_cmm.txt
@@ -7,10 +7,14 @@
 :line
 
 pair_style cg/cmm command :h3
+pair_style cg/cmm/cuda command :h3
 pair_style cg/cmm/gpu command :h3
 pair_style cg/cmm/coul/cut command :h3
+pair_style cg/cmm/coul/cut/cuda command :h3
+pair_style cg/cmm/coul/debye/cuda command :h3
 pair_style cg/cmm/coul/long command :h3
 pair_style cg/cmm/coul/long/gpu command :h3
+pair_style cg/cmm/coul/long/cuda command :h3
 
 [Syntax:]
 
diff --git a/doc/pair_eam.html b/doc/pair_eam.html
index e84e9dc4b8..35e211f210 100644
--- a/doc/pair_eam.html
+++ b/doc/pair_eam.html
@@ -11,16 +11,22 @@
 
 

pair_style eam command

+

pair_style eam/cuda command +

pair_style eam/opt command

pair_style eam/alloy command

+

pair_style eam/alloy/cuda command +

pair_style eam/alloy/opt command

pair_style eam/cd command

pair_style eam/fs command

+

pair_style eam/fs/cuda command +

pair_style eam/fs/opt command

Syntax: diff --git a/doc/pair_eam.txt b/doc/pair_eam.txt index 45020a0538..32803c88de 100644 --- a/doc/pair_eam.txt +++ b/doc/pair_eam.txt @@ -7,11 +7,14 @@ :line pair_style eam command :h3 +pair_style eam/cuda command :h3 pair_style eam/opt command :h3 pair_style eam/alloy command :h3 +pair_style eam/alloy/cuda command :h3 pair_style eam/alloy/opt command :h3 pair_style eam/cd command :h3 pair_style eam/fs command :h3 +pair_style eam/fs/cuda command :h3 pair_style eam/fs/opt command :h3 [Syntax:] diff --git a/doc/pair_gran.html b/doc/pair_gran.html index 5510009eec..7a77d914bd 100644 --- a/doc/pair_gran.html +++ b/doc/pair_gran.html @@ -11,6 +11,8 @@

pair_style gran/hooke command

+

pair_style gran/cuda command +

pair_style gran/hooke/history command

pair_style gran/hertz/history command @@ -168,6 +170,28 @@ potential.


+

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:

The pair_modify mix, shift, table, and tail options diff --git a/doc/pair_gran.txt b/doc/pair_gran.txt index 8b0fb45239..9e73786d70 100644 --- a/doc/pair_gran.txt +++ b/doc/pair_gran.txt @@ -7,6 +7,7 @@ :line pair_style gran/hooke command :h3 +pair_style gran/cuda command :h3 pair_style gran/hooke/history command :h3 pair_style gran/hertz/history command :h3 @@ -158,6 +159,28 @@ potential. :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]: The "pair_modify"_pair_modify.html mix, shift, table, and tail options diff --git a/doc/pair_gromacs.html b/doc/pair_gromacs.html index f9ea7b3f9c..a63db7ef3b 100644 --- a/doc/pair_gromacs.html +++ b/doc/pair_gromacs.html @@ -11,8 +11,12 @@

pair_style lj/gromacs command

+

pair_style lj/gromacs/cuda command +

pair_style lj/gromacs/coul/gromacs command

+

pair_style lj/gromacs/coul/gromacs/cuda command +

Syntax:

pair_style style args 
@@ -87,6 +91,28 @@ cutoff(s) 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 epsilon and sigma coefficients diff --git a/doc/pair_gromacs.txt b/doc/pair_gromacs.txt index b544f61dbd..1a1ca698bc 100644 --- a/doc/pair_gromacs.txt +++ b/doc/pair_gromacs.txt @@ -7,7 +7,9 @@ :line pair_style lj/gromacs command :h3 +pair_style lj/gromacs/cuda command :h3 pair_style lj/gromacs/coul/gromacs command :h3 +pair_style lj/gromacs/coul/gromacs/cuda command :h3 [Syntax:] @@ -82,6 +84,28 @@ cutoff(s) 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 epsilon and sigma coefficients diff --git a/doc/pair_lj.html b/doc/pair_lj.html index 27ab951478..b42c8ac27e 100644 --- a/doc/pair_lj.html +++ b/doc/pair_lj.html @@ -11,18 +11,28 @@

pair_style lj/cut command

+

pair_style lj/cut/cuda command +

+

pair_style lj/cut/experimental/cuda command +

pair_style lj/cut/gpu command

pair_style lj/cut/opt command

pair_style lj/cut/coul/cut command

+

pair_style lj/cut/coul/cut/cuda command +

pair_style lj/cut/coul/cut/gpu command

pair_style lj/cut/coul/debye command

+

pair_style lj/cut/coul/debye/cuda command +

pair_style lj/cut/coul/long command

+

pair_style lj/cut/coul/long/cuda command +

pair_style lj/cut/coul/long/gpu command

pair_style lj/cut/coul/long/tip4p command diff --git a/doc/pair_lj.txt b/doc/pair_lj.txt index 9ae74fe21b..443b5c27ca 100644 --- a/doc/pair_lj.txt +++ b/doc/pair_lj.txt @@ -7,12 +7,17 @@ :line pair_style lj/cut command :h3 +pair_style lj/cut/cuda command :h3 +pair_style lj/cut/experimental/cuda command :h3 pair_style lj/cut/gpu command :h3 pair_style lj/cut/opt command :h3 pair_style lj/cut/coul/cut command :h3 +pair_style lj/cut/coul/cut/cuda command :h3 pair_style lj/cut/coul/cut/gpu command :h3 pair_style lj/cut/coul/debye command :h3 +pair_style lj/cut/coul/debye/cuda command :h3 pair_style lj/cut/coul/long command :h3 +pair_style lj/cut/coul/long/cuda command :h3 pair_style lj/cut/coul/long/gpu command :h3 pair_style lj/cut/coul/long/tip4p command :h3 diff --git a/doc/pair_lj96_cut.html b/doc/pair_lj96_cut.html index ccced703d1..297a776f3f 100644 --- a/doc/pair_lj96_cut.html +++ b/doc/pair_lj96_cut.html @@ -11,6 +11,8 @@

pair_style lj96/cut command

+

pair_style lj96/cut/cuda command +

pair_style lj96/cut/gpu command

Syntax: diff --git a/doc/pair_lj96_cut.txt b/doc/pair_lj96_cut.txt index 271ccaafc0..201e4f2807 100644 --- a/doc/pair_lj96_cut.txt +++ b/doc/pair_lj96_cut.txt @@ -7,6 +7,7 @@ :line pair_style lj96/cut command :h3 +pair_style lj96/cut/cuda command :h3 pair_style lj96/cut/gpu command :h3 [Syntax:] diff --git a/doc/pair_lj_expand.html b/doc/pair_lj_expand.html index 6c63064f38..e9b31e162a 100644 --- a/doc/pair_lj_expand.html +++ b/doc/pair_lj_expand.html @@ -11,6 +11,8 @@

pair_style lj/expand command

+

pair_style lj/expand/cuda command +

pair_style lj/expand/gpu command

Syntax: diff --git a/doc/pair_lj_expand.txt b/doc/pair_lj_expand.txt index 18a52b9479..def11c26db 100644 --- a/doc/pair_lj_expand.txt +++ b/doc/pair_lj_expand.txt @@ -7,6 +7,7 @@ :line pair_style lj/expand command :h3 +pair_style lj/expand/cuda command :h3 pair_style lj/expand/gpu command :h3 [Syntax:] diff --git a/doc/pair_lj_smooth.html b/doc/pair_lj_smooth.html index 4f185145ac..8cc6c75d8b 100644 --- a/doc/pair_lj_smooth.html +++ b/doc/pair_lj_smooth.html @@ -11,6 +11,8 @@

pair_style lj/smooth command

+

pair_style lj/smooth/cuda command +

Syntax:

pair_style lj/smooth Rin Rc 
@@ -61,6 +63,28 @@ specified, the global values for Rin and Rc are used.
 


+

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 epsilon, sigma, Rin diff --git a/doc/pair_lj_smooth.txt b/doc/pair_lj_smooth.txt index 49243a982b..33ff5118a8 100644 --- a/doc/pair_lj_smooth.txt +++ b/doc/pair_lj_smooth.txt @@ -7,6 +7,7 @@ :line pair_style lj/smooth command :h3 +pair_style lj/smooth/cuda command :h3 [Syntax:] @@ -58,6 +59,28 @@ specified, the global values for Rin and Rc are used. :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 epsilon, sigma, Rin diff --git a/doc/pair_morse.html b/doc/pair_morse.html index 4ddab3f7c0..df60fd0b32 100644 --- a/doc/pair_morse.html +++ b/doc/pair_morse.html @@ -11,6 +11,8 @@

pair_style morse command

+

pair_style morse/cuda command +

pair_style morse/gpu command

pair_style morse/opt command diff --git a/doc/pair_morse.txt b/doc/pair_morse.txt index bce8a79a17..f650489fc2 100644 --- a/doc/pair_morse.txt +++ b/doc/pair_morse.txt @@ -7,6 +7,7 @@ :line pair_style morse command :h3 +pair_style morse/cuda command :h3 pair_style morse/gpu command :h3 pair_style morse/opt command :h3