Styles with an "omp" suffix are part of the USER-OMP package and allow -a pair-style to be run in threaded mode using OpenMP. This can be -useful on nodes with high-core counts when using less MPI processes +a pair-style to be run in multi-threaded mode using OpenMP. This can +be useful on nodes with high-core counts when using less MPI processes than cores is advantageous, e.g. when running with PPPM so that FFTs -are run on fewer MPI processors. +are run on fewer MPI processors or when the many MPI tasks would +overload the available bandwidth for communication.
Styles with a "gpu" or "cuda" suffix are part of the GPU or USER-CUDA packages, and can be run on NVIDIA GPUs associated with your CPUs. @@ -114,8 +115,120 @@ to 20% savings.
This section will be written when the USER-OMP package is released -in main LAMMPS. +
The USER-OMP package was developed by Axel Kohlmeyer at Temple University. +It provides multi-threaded versions of most pair styles, all dihedral +styles and a few fixes in LAMMPS. The package currently uses the OpenMP +interface which requires using a specific compiler flag in the makefile +to enable multiple threads; without this flag the corresponding pair +styles will still be compiled and work, but do not support multi-threading. +
+Building LAMMPS with the USER-OMP package: +
+The procedure for building LAMMPS with the USER-OMP package is simple. +You have to edit your machine specific makefile to add the flag to +enable OpenMP support to the CCFLAGS and LINKFLAGS variables. For the +GNU compilers for example this flag is called -fopenmp. Check your +compiler documentation to find out which flag you need to add. +The rest of the compilation is the same as for any other package which +has no additional library dependencies: +
+make yes-user-omp +make machine ++
Please note that this will only install accelerated versions +of styles that are already installed, so you want to install +this package as the last package, or else you may be missing +some accelerated styles. If you plan to uninstall some package, +you should first uninstall the USER-OMP package then the other +package and then re-install USER-OMP, to make sure that there +are no orphaned omp style files present, which would lead to +compilation errors. +
+If your input script uses one of regular styles that are also +exist as an OpenMP version in the USER-OMP package you can run +it as follows: +
+env OMP_NUM_THREADS=4 lmp_serial -sf omp -in in.script +env OMP_NUM_THREADS=2 mpirun -np 2 lmp_machine -sf omp -in in.script +mpirun -x OMP_NUM_THRADS=2 -np 2 lmp_machine -sf omp -in in.script ++
The value of the environment variable OMP_NUM_THREADS determines how +many threads per MPI task are launched. All three examples above use +a total of 4 CPU cores. For different MPI implementations the method +to pass the OMP_NUM_THREADS environment variable to all processes is +different. Two different variants, one for MPICH and OpenMPI, respectively +are shown above. Please check the documentation of your MPI installation +for additional details. Alternatively, the value provided by OMP_NUM_THREADS +can be overridded with the package omp command. +Depending on which styles are accelerated in your input, you should +see a reduction in the "Pair time" and/or "Bond time" and "Loop time" +printed out at the end of the run. The optimal ratio of MPI to OpenMP +can vary a lot and should always be confirmed through some benchmark +runs for the current system and on the current machine. +
+Restrictions: +
+None of the pair styles in the USER-OMP package support the "inner", +"middle", "outer" options for r-RESPA integration, only the "pair" +option is supported. +
+Parallel efficiency and performance tips: +
+In most simple cases the MPI parallelization in LAMMPS is more +efficient than multi-threading implemented in the USER-OMP package. +Also the parallel efficiency varies between individual styles. +On the other hand, in many cases you still want to use the omp version +- even when compiling or running without OpenMP support - since they +all contain optimizations similar to those in the OPT package, which +can result in serial speedup. +
+Using multi-threading is most effective under the following circumstances: +
+The best parallel efficiency from omp styles is typically +achieved when there is at least one MPI task per physical +processor, i.e. socket or die. +
+Using threads on hyper-threading enabled cores is usually +counterproductive, as the cost in additional memory bandwidth +requirements is not offset by the gain in CPU utilization +through hyper-threading. +
+A description of the multi-threading strategy and some performance +examples are presented here
These are accelerated fix styles, which can be used if LAMMPS is @@ -364,9 +364,9 @@ built with the appropriate accelerated package.
These are accelerated pair styles, which can be used if LAMMPS is @@ -447,19 +447,34 @@ built with the appropriate accelerated package.
These are accelerated bond styles, which can be used if LAMMPS is +built with the appropriate accelerated +package. +
+| hybrid/omp + |
These are accelerated angle styles, which can be used if LAMMPS is +built with the appropriate accelerated +package. +
+| hybrid/omp + |
These are accelerated dihedral styles, which can be used if LAMMPS is +built with the appropriate accelerated +package. +
+| hybrid/omp | charmm/omp | class2/omp | cosine/shift/exp/omp |
| harmonic/omp | helix/omp | multi/harmonic/omp | opls/omp + |
These are accelerated improper styles, which can be used if LAMMPS is +built with the appropriate accelerated +package. +
+| hybrid/omp + |
This package provides OpenMP multi-threading support and +other optimizations of various LAMMPS pair styles, dihedral +styles, and fix styles. +
+See this section of the manual to get started: +
+ +The person who created this package is Axel Kohlmeyer at Temple U +(akohlmey at gmail.com). Contact him directly if you have questions. +
+This package contains a implementation for LAMMPS of the ReaxFF force diff --git a/doc/Section_packages.txt b/doc/Section_packages.txt index 3dfad2f11b..928820c7df 100644 --- a/doc/Section_packages.txt +++ b/doc/Section_packages.txt @@ -89,6 +89,7 @@ USER-CG-CMM, coarse-graining model, Axel Kohlmeyer (Temple U), "pair_style cg/cm USER-CUDA, NVIDIA GPU styles, Christian Trott (U Tech Ilmenau), "accelerate"_Section_accelerate.html#acc_4, USER/cuda, -, lib/cuda USER-EFF, electron force field, Andres Jaramillo-Botero (Caltech), "pair_style eff/cut"_pair_eff.html, USER/eff, "eff"_eff, - USER-EWALDN, Ewald for 1/R^n, Pieter in' t Veld (BASF), "kspace_style"_kspace_style.html, -, -, - +USER-OMP, OpenMP threaded styles, Axel Kohlmeyer (Temple U), "accelerate"_Section_accelerate.html#acc_2, -, -, - USER-REAXC, C version of ReaxFF, Metin Aktulga (LBNL), "pair_style reaxc"_pair_reax_c.html, reax, -, - USER-SPH, smoothed particle hydrodynamics, Georg Ganzenmuller (EMI), "SPH_LAMMPS_userguide.pdf"_USER/sph/SPH_LAMMPS_userguide.pdf, USER/sph, "sph"_sph, - :tb(ea=c) @@ -315,6 +316,21 @@ directly if you have questions. :line +USER-OMP package :h4 + +This package provides OpenMP multi-threading support and +other optimizations of various LAMMPS pair styles, dihedral +styles, and fix styles. + +See this section of the manual to get started: + +"Section_accelerate"_Section_accelerate.html#acc_2 + +The person who created this package is Axel Kohlmeyer at Temple U +(akohlmey at gmail.com). Contact him directly if you have questions. + +:line + USER-REAXC package :h4 This package contains a implementation for LAMMPS of the ReaxFF force diff --git a/doc/Section_start.html b/doc/Section_start.html index 976e2666e9..bfe24d404e 100644 --- a/doc/Section_start.html +++ b/doc/Section_start.html @@ -978,18 +978,18 @@ partition screen files file.N.
-suffix style
Use variants of various styles if they exist. The specified style can -be opt or gpu or cuda. These refer to optional packages that +be opt, omp, gpu, or cuda. These refer to optional packages that LAMMPS can be built with, as described above in Section 2.3. The "opt" style corrsponds to the OPT package, the -"gpu" style to the GPU package, and the "cuda" style to the USER-CUDA -package. +"omp" style to the USER-OMP package, the "gpu" style to the GPU +package, and the "cuda" style to the USER-CUDA package.
As an example, all of the packages provide a pair_style -lj/cut variant, with style names lj/cut/opt or -lj/cut/gpu or lj/cut/cuda. A variant styles can be specified +lj/cut variant, with style names lj/cut/opt, lj/cut/omp, +lj/cut/gpu, or lj/cut/cuda. A variant styles can be specified explicitly in your input script, e.g. pair_style lj/cut/gpu. If the -suffix switch is used, you do not need to modify your input script. -The specified suffix (opt,gpu,cuda) is automatically appended whenever +The specified suffix (opt,omp,gpu,cuda) is automatically appended whenever your input script command creates a new atom, pair, fix, compute, or run style. atom, pair, fix, compute, or integrate diff --git a/doc/Section_start.txt b/doc/Section_start.txt index fad3959e79..5ae3fb715c 100644 --- a/doc/Section_start.txt +++ b/doc/Section_start.txt @@ -970,18 +970,18 @@ partition screen files file.N. -suffix style :pre Use variants of various styles if they exist. The specified style can -be {opt} or {gpu} or {cuda}. These refer to optional packages that +be {opt}, {omp}, {gpu}, or {cuda}. These refer to optional packages that LAMMPS can be built with, as described above in "Section 2.3"_#start_3. The "opt" style corrsponds to the OPT package, the -"gpu" style to the GPU package, and the "cuda" style to the USER-CUDA -package. +"omp" style to the USER-OMP package, the "gpu" style to the GPU +package, and the "cuda" style to the USER-CUDA package. As an example, all of the packages provide a "pair_style -lj/cut"_pair_lj.html variant, with style names lj/cut/opt or -lj/cut/gpu or lj/cut/cuda. A variant styles can be specified +lj/cut"_pair_lj.html variant, with style names lj/cut/opt, lj/cut/omp, +lj/cut/gpu, or lj/cut/cuda. A variant styles can be specified explicitly in your input script, e.g. pair_style lj/cut/gpu. If the -suffix switch is used, you do not need to modify your input script. -The specified suffix (opt,gpu,cuda) is automatically appended whenever +The specified suffix (opt,omp,gpu,cuda) is automatically appended whenever your input script command creates a new "atom"_atom_style.html, "pair"_pair_style.html, "fix"_fix.html, "compute"_compute.html, or "run"_run_style.html style. atom, pair, fix, compute, or integrate diff --git a/doc/angle_hybrid.html b/doc/angle_hybrid.html index bd7ff2db01..a9cd04b369 100644 --- a/doc/angle_hybrid.html +++ b/doc/angle_hybrid.html @@ -11,6 +11,8 @@
Syntax:
angle_style hybrid style1 style2 ... @@ -74,6 +76,34 @@ in place of an angle style, either in a input script angle_coeff command or in the data file, if you desire to turn off interactions for specific angle types. +
+ +Styles with a cuda, gpu, 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 this section of the manual. +
+Since the hybrid style delegates computation to the individual +sub-styles, the suffix versions of the hybrid styles are used +to propagate the corresponding suffix to all sub-styles, if those +accelerated versions exist. Otherwise the non-accelerated version +will be used. +
+The individual accelerated sub-styles are part of the USER-CUDA, GPU, +USER-OMP 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. +
+
+Restrictions:
This angle style can only be used if LAMMPS was built with the diff --git a/doc/angle_hybrid.txt b/doc/angle_hybrid.txt index 2996d3ddb8..6662216b4c 100644 --- a/doc/angle_hybrid.txt +++ b/doc/angle_hybrid.txt @@ -7,6 +7,7 @@ :line angle_style hybrid command :h3 +angle_style hybrid/omp command :h3 [Syntax:] @@ -71,6 +72,34 @@ in place of an angle style, either in a input script angle_coeff command or in the data file, if you desire to turn off interactions for specific angle types. +:line + +Styles with a {cuda}, {gpu}, {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 "this section"_Section_accelerate.html of the manual. + +Since the {hybrid} style delegates computation to the individual +sub-styles, the suffix versions of the {hybrid} styles are used +to propagate the corresponding suffix to all sub-styles, if those +accelerated versions exist. Otherwise the non-accelerated version +will be used. + +The individual accelerated sub-styles are part of the USER-CUDA, GPU, +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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This angle style can only be used if LAMMPS was built with the diff --git a/doc/bond_hybrid.html b/doc/bond_hybrid.html index b9073bd9d1..fc1a85093f 100644 --- a/doc/bond_hybrid.html +++ b/doc/bond_hybrid.html @@ -11,6 +11,8 @@
bond_style hybrid command
+bond_style hybrid/omp command +
Syntax:
bond_style hybrid style1 style2 ... @@ -57,6 +59,34 @@ place of a bond style, either in a input script bond_coeff command or in the data file, if you desire to turn off interactions for specific bond types. +
+ +Styles with a cuda, gpu, 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 this section of the manual. +
+Since the hybrid style delegates computation to the individual +sub-styles, the suffix versions of the hybrid styles are used +to propagate the corresponding suffix to all sub-styles, if those +accelerated versions exist. Otherwise the non-accelerated version +will be used. +
+The individual accelerated sub-styles are part of the USER-CUDA, GPU, +USER-OMP 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. +
+
+Restrictions:
This bond style can only be used if LAMMPS was built with the diff --git a/doc/bond_hybrid.txt b/doc/bond_hybrid.txt index f4a9959229..683e5cd73f 100644 --- a/doc/bond_hybrid.txt +++ b/doc/bond_hybrid.txt @@ -7,6 +7,7 @@ :line bond_style hybrid command :h3 +bond_style hybrid/omp command :h3 [Syntax:] @@ -54,6 +55,34 @@ place of a bond style, either in a input script bond_coeff command or in the data file, if you desire to turn off interactions for specific bond types. +:line + +Styles with a {cuda}, {gpu}, {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 "this section"_Section_accelerate.html of the manual. + +Since the {hybrid} style delegates computation to the individual +sub-styles, the suffix versions of the {hybrid} styles are used +to propagate the corresponding suffix to all sub-styles, if those +accelerated versions exist. Otherwise the non-accelerated version +will be used. + +The individual accelerated sub-styles are part of the USER-CUDA, GPU, +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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This bond style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_charmm.html b/doc/dihedral_charmm.html index 5a30dd7a46..6c3104c6e3 100644 --- a/doc/dihedral_charmm.html +++ b/doc/dihedral_charmm.html @@ -11,6 +11,8 @@
dihedral_style charmm command
+dihedral_style charmm/omp command +
Syntax:
dihedral_style charmm @@ -67,6 +69,30 @@ weighting factors (4th coeff above) should be set to 0.0. In this case, you can use any pair style you wish, since the dihedral does not need any 1-4 information. +
+ +Styles with a cuda, gpu, 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 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, USER-OMP 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. +
+
+Restrictions:
This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_charmm.txt b/doc/dihedral_charmm.txt index 4105573458..c0b959ffb5 100644 --- a/doc/dihedral_charmm.txt +++ b/doc/dihedral_charmm.txt @@ -7,6 +7,7 @@ :line dihedral_style charmm command :h3 +dihedral_style charmm/omp command :h3 [Syntax:] @@ -64,6 +65,30 @@ weighting factors (4th coeff above) should be set to 0.0. In this case, you can use any pair style you wish, since the dihedral does not need any 1-4 information. +:line + +Styles with a {cuda}, {gpu}, {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 "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, 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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_class2.html b/doc/dihedral_class2.html index 471ccdd17d..79e7b47d92 100644 --- a/doc/dihedral_class2.html +++ b/doc/dihedral_class2.html @@ -11,6 +11,8 @@
dihedral_style class2 command
+dihedral_style class2/omp command +
Syntax:
dihedral_style class2 @@ -137,6 +139,30 @@ listed under a "BondBond13 Coeffs" heading and you must leave out the
Styles with a cuda, gpu, 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 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, USER-OMP 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. +
+Restrictions:
This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_class2.txt b/doc/dihedral_class2.txt index 21e37cb12b..ab60aa3812 100644 --- a/doc/dihedral_class2.txt +++ b/doc/dihedral_class2.txt @@ -7,6 +7,7 @@ :line dihedral_style class2 command :h3 +dihedral_style class2/omp command :h3 [Syntax:] @@ -134,6 +135,30 @@ N (energy/distance^2) r1 (distance) r3 (distance) :ul +:line + +Styles with a {cuda}, {gpu}, {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 "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, 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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_cosine_shift_exp.html b/doc/dihedral_cosine_shift_exp.html index a4927685d0..c6ab2cae79 100644 --- a/doc/dihedral_cosine_shift_exp.html +++ b/doc/dihedral_cosine_shift_exp.html @@ -11,6 +11,8 @@
Syntax:
dihedral_style cosine/shift/exp @@ -49,6 +51,30 @@ commands:
Styles with a cuda, gpu, 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 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, USER-OMP 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. +
+Restrictions:
This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_cosine_shift_exp.txt b/doc/dihedral_cosine_shift_exp.txt index dd49b2759b..d1e1c8223b 100644 --- a/doc/dihedral_cosine_shift_exp.txt +++ b/doc/dihedral_cosine_shift_exp.txt @@ -7,6 +7,7 @@ :line dihedral_style cosine/shift/exp command :h3 +dihedral_style cosine/shift/exp/omp command :h3 [Syntax:] @@ -46,6 +47,30 @@ umin (energy) theta (angle) A (real number) :ul +:line + +Styles with a {cuda}, {gpu}, {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 "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, 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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_harmonic.html b/doc/dihedral_harmonic.html index 68a8a6bbca..d8c3a73f69 100644 --- a/doc/dihedral_harmonic.html +++ b/doc/dihedral_harmonic.html @@ -11,6 +11,8 @@
Syntax:
dihedral_style harmonic @@ -35,6 +37,30 @@ or read_restart commands:
Styles with a cuda, gpu, 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 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, USER-OMP 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. +
+Restrictions:
This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_harmonic.txt b/doc/dihedral_harmonic.txt index bb4192f816..a076931a0a 100644 --- a/doc/dihedral_harmonic.txt +++ b/doc/dihedral_harmonic.txt @@ -7,6 +7,7 @@ :line dihedral_style harmonic command :h3 +dihedral_style harmonic/omp command :h3 [Syntax:] @@ -32,6 +33,30 @@ K (energy) d (+1 or -1) n (integer >= 0) :ul +:line + +Styles with a {cuda}, {gpu}, {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 "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, 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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_helix.html b/doc/dihedral_helix.html index 93dd552164..86b3728339 100644 --- a/doc/dihedral_helix.html +++ b/doc/dihedral_helix.html @@ -11,6 +11,8 @@
Syntax:
dihedral_style helix @@ -43,6 +45,30 @@ or read_restart commands:
Styles with a cuda, gpu, 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 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, USER-OMP 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. +
+Restrictions:
This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_helix.txt b/doc/dihedral_helix.txt index 3ff9b53898..8792c10767 100644 --- a/doc/dihedral_helix.txt +++ b/doc/dihedral_helix.txt @@ -7,6 +7,7 @@ :line dihedral_style helix command :h3 +dihedral_style helix/omp command :h3 [Syntax:] @@ -40,6 +41,30 @@ A (energy) B (energy) C (energy) :ul +:line + +Styles with a {cuda}, {gpu}, {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 "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, 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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_hybrid.html b/doc/dihedral_hybrid.html index 07e9f6ee41..4bee37a9e2 100644 --- a/doc/dihedral_hybrid.html +++ b/doc/dihedral_hybrid.html @@ -11,6 +11,8 @@
Syntax:
dihedral_style hybrid style1 style2 ... @@ -75,6 +77,34 @@ in place of a dihedral style, either in a input script dihedral_coeff command or in the data file, if you desire to turn off interactions for specific dihedral types. +
+ +Styles with a cuda, gpu, 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 this section of the manual. +
+Since the hybrid style delegates computation to the individual +sub-styles, the suffix versions of the hybrid styles are used +to propagate the corresponding suffix to all sub-styles, if those +accelerated versions exist. Otherwise the non-accelerated version +will be used. +
+The individual accelerated sub-styles are part of the USER-CUDA, GPU, +USER-OMP 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. +
+
+Restrictions:
This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_hybrid.txt b/doc/dihedral_hybrid.txt index 4ccf8ef057..6a64359db1 100644 --- a/doc/dihedral_hybrid.txt +++ b/doc/dihedral_hybrid.txt @@ -7,6 +7,7 @@ :line dihedral_style hybrid command :h3 +dihedral_style hybrid/omp command :h3 [Syntax:] @@ -72,6 +73,34 @@ in place of a dihedral style, either in a input script dihedral_coeff command or in the data file, if you desire to turn off interactions for specific dihedral types. +:line + +Styles with a {cuda}, {gpu}, {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 "this section"_Section_accelerate.html of the manual. + +Since the {hybrid} style delegates computation to the individual +sub-styles, the suffix versions of the {hybrid} styles are used +to propagate the corresponding suffix to all sub-styles, if those +accelerated versions exist. Otherwise the non-accelerated version +will be used. + +The individual accelerated sub-styles are part of the USER-CUDA, GPU, +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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_multi_harmonic.html b/doc/dihedral_multi_harmonic.html index f63c22fc24..10601f3362 100644 --- a/doc/dihedral_multi_harmonic.html +++ b/doc/dihedral_multi_harmonic.html @@ -11,6 +11,8 @@
dihedral_style multi/harmonic command
+dihedral_style multi/harmonic/omp command +
Syntax:
dihedral_style multi/harmonic @@ -37,6 +39,30 @@ or read_restart commands:
Styles with a cuda, gpu, 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 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, USER-OMP 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. +
+Restrictions:
This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_multi_harmonic.txt b/doc/dihedral_multi_harmonic.txt index d0196279bf..505857fe81 100644 --- a/doc/dihedral_multi_harmonic.txt +++ b/doc/dihedral_multi_harmonic.txt @@ -7,6 +7,7 @@ :line dihedral_style multi/harmonic command :h3 +dihedral_style multi/harmonic/omp command :h3 [Syntax:] @@ -34,6 +35,30 @@ A3 (energy) A4 (energy) A5 (energy) :ul +:line + +Styles with a {cuda}, {gpu}, {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 "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, 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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_opls.html b/doc/dihedral_opls.html index 39cd3f6b92..e0656dd837 100644 --- a/doc/dihedral_opls.html +++ b/doc/dihedral_opls.html @@ -11,6 +11,8 @@
Syntax:
dihedral_style opls @@ -41,6 +43,30 @@ or read_restart commands:
Styles with a cuda, gpu, 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 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, USER-OMP 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. +
+Restrictions:
This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/dihedral_opls.txt b/doc/dihedral_opls.txt index 530201899a..c43e7a279e 100644 --- a/doc/dihedral_opls.txt +++ b/doc/dihedral_opls.txt @@ -7,6 +7,7 @@ :line dihedral_style opls command :h3 +dihedral_style opls/omp command :h3 [Syntax:] @@ -38,6 +39,30 @@ K2 (energy) K3 (energy) K4 (energy) :ul +:line + +Styles with a {cuda}, {gpu}, {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 "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, 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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This dihedral style can only be used if LAMMPS was built with the diff --git a/doc/fix_gravity.html b/doc/fix_gravity.html index 7823383666..fbc2fce7f3 100644 --- a/doc/fix_gravity.html +++ b/doc/fix_gravity.html @@ -13,6 +13,8 @@
Syntax:
fix ID group gravity style magnitude args @@ -89,16 +91,17 @@ 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. +
Styles with a cuda, gpu, 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 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. +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP 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 diff --git a/doc/fix_gravity.txt b/doc/fix_gravity.txt index f383755ac5..bad5edc997 100644 --- a/doc/fix_gravity.txt +++ b/doc/fix_gravity.txt @@ -8,6 +8,7 @@ fix gravity command :h3 fix gravity/cuda command :h3 +fix gravity/omp command :h3 [Syntax:] @@ -80,16 +81,17 @@ 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. +Styles with a {cuda}, {gpu}, {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 "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#start_3 section for more info. +These accelerated styles are part of the USER-CUDA, GPU, 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 diff --git a/doc/fix_nve_sphere.html b/doc/fix_nve_sphere.html index 887985242a..f2f5678cd7 100644 --- a/doc/fix_nve_sphere.html +++ b/doc/fix_nve_sphere.html @@ -11,6 +11,8 @@
+fix nve/sphere command
+fix nve/sphere/omp command +
Syntax:
fix ID group-ID nve/sphere @@ -49,6 +51,30 @@ during the time integration. This option should be used for models where a dipole moment is assigned to particles via use of the atom_style dipole command.
+ +Styles with a cuda, gpu, 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 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, USER-OMP 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. +
+
+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_sphere.txt b/doc/fix_nve_sphere.txt index 05080e58a1..3c5864d3f4 100755 --- a/doc/fix_nve_sphere.txt +++ b/doc/fix_nve_sphere.txt @@ -7,6 +7,7 @@ :line fix nve/sphere command :h3 +fix nve/sphere/omp command :h3 [Syntax:] @@ -41,6 +42,30 @@ during the time integration. This option should be used for models where a dipole moment is assigned to particles via use of the "atom_style dipole"_atom_style.html command. +:line + +Styles with a {cuda}, {gpu}, {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 "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, 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 "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_qeq_comb.html b/doc/fix_qeq_comb.html index b6c5d437ff..c66b49dc4d 100644 --- a/doc/fix_qeq_comb.html +++ b/doc/fix_qeq_comb.html @@ -11,6 +11,8 @@
fix qeq/comb command
+fix qeq/comb/omp command +
Syntax:
fix ID group-ID qeq/comb Nevery precision keyword value ... @@ -66,6 +68,30 @@ performing charge equilibration (more iterations) and accuracy.If the file keyword is used, then information about each equilibration calculation is written to the specifed file.
+
+ +Styles with a cuda, gpu, 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 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, USER-OMP 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. +
+
+Restart, fix_modify, output, run start/stop, minimize info:
+
+ +Styles with a cuda, gpu, 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 this section of the manual. +
+Since the hybrid style delegates computation to the individual +sub-styles, the suffix versions of the hybrid styles are used +to propagate the corresponding suffix to all sub-styles, if those +accelerated versions exist. Otherwise the non-accelerated version +will be used. +
+The individual accelerated sub-styles are part of the USER-CUDA, GPU, +USER-OMP 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. +
+
+Restrictions:
This improper style can only be used if LAMMPS was built with the diff --git a/doc/improper_hybrid.txt b/doc/improper_hybrid.txt index ee9dfc5718..77d62b2e64 100644 --- a/doc/improper_hybrid.txt +++ b/doc/improper_hybrid.txt @@ -7,6 +7,7 @@ :line improper_style hybrid command :h3 +improper_style hybrid/omp command :h3 [Syntax:] @@ -50,6 +51,34 @@ An improper style of {none} can be specified as the 2nd argument to the improper_coeff command, if you desire to turn off certain improper types. +:line + +Styles with a {cuda}, {gpu}, {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 "this section"_Section_accelerate.html of the manual. + +Since the {hybrid} style delegates computation to the individual +sub-styles, the suffix versions of the {hybrid} styles are used +to propagate the corresponding suffix to all sub-styles, if those +accelerated versions exist. Otherwise the non-accelerated version +will be used. + +The individual accelerated sub-styles are part of the USER-CUDA, GPU, +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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This improper style can only be used if LAMMPS was built with the diff --git a/doc/pair_adp.html b/doc/pair_adp.html index 1013ed6d75..34bf494229 100644 --- a/doc/pair_adp.html +++ b/doc/pair_adp.html @@ -11,6 +11,8 @@
pair_style adp command
+pair_style adp/omp command +
Syntax:
pair_style adp @@ -118,6 +120,28 @@ the u(r), the w(r) arrays are listed.
+Styles with a cuda, gpu, 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 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, USER-OMP 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, where types I and J correspond to diff --git a/doc/pair_adp.txt b/doc/pair_adp.txt index cf66af91ca..4eef1d675e 100644 --- a/doc/pair_adp.txt +++ b/doc/pair_adp.txt @@ -7,6 +7,7 @@ :line pair_style adp command :h3 +pair_style adp/omp command :h3 [Syntax:] @@ -115,6 +116,28 @@ the u(r), the w(r) arrays are listed. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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, where types I and J correspond to diff --git a/doc/pair_airebo.html b/doc/pair_airebo.html index 290245bed3..282e1affbf 100644 --- a/doc/pair_airebo.html +++ b/doc/pair_airebo.html @@ -11,8 +11,12 @@
pair_style airebo command
+pair_style airebo/omp command +
pair_style rebo command
+pair_style rebo/omp command +
Syntax:
pair_style style cutoff LJ_flag TORSION_flag @@ -120,6 +124,28 @@ it was fit, so modifying the file should be done cautiously.
+Styles with a cuda, gpu, 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 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, USER-OMP 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 the pair_modify diff --git a/doc/pair_airebo.txt b/doc/pair_airebo.txt index 5d552132fd..71c7ea071a 100644 --- a/doc/pair_airebo.txt +++ b/doc/pair_airebo.txt @@ -7,7 +7,9 @@ :line pair_style airebo command :h3 +pair_style airebo/omp command :h3 pair_style rebo command :h3 +pair_style rebo/omp command :h3 [Syntax:] @@ -116,6 +118,28 @@ it was fit, so modifying the file should be done cautiously. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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 the "pair_modify"_pair_modify.html diff --git a/doc/pair_born.html b/doc/pair_born.html index e396552aad..e5d4038a78 100644 --- a/doc/pair_born.html +++ b/doc/pair_born.html @@ -11,10 +11,14 @@
pair_style born command
+pair_style born/omp command +
pair_style born/coul/long command
pair_style born/coul/long/cuda command
+pair_style born/coul/long/omp command +
Syntax:
pair_style style args @@ -89,15 +93,15 @@ 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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_born.txt b/doc/pair_born.txt index 56e1515dae..652e7b4dda 100644 --- a/doc/pair_born.txt +++ b/doc/pair_born.txt @@ -8,8 +8,10 @@ :line pair_style born command :h3 +pair_style born/omp command :h3 pair_style born/coul/long command :h3 pair_style born/coul/long/cuda command :h3 +pair_style born/coul/long/omp command :h3 [Syntax:] @@ -84,15 +86,15 @@ 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_buck.html b/doc/pair_buck.html index b0d50311ee..a7b8c76aac 100644 --- a/doc/pair_buck.html +++ b/doc/pair_buck.html @@ -13,14 +13,20 @@pair_style buck/cuda command
+pair_style buck/omp command +
pair_style buck/coul/cut command
pair_style buck/coul/cut/cuda command
+pair_style buck/coul/cut/omp command +
pair_style buck/coul/long command
pair_style buck/coul/long/cuda command
+pair_style buck/coul/long/omp command +
Syntax:
pair_style style args @@ -110,15 +116,15 @@ 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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_buck.txt b/doc/pair_buck.txt index 40e095fb64..1f875f9ac4 100644 --- a/doc/pair_buck.txt +++ b/doc/pair_buck.txt @@ -8,10 +8,13 @@ pair_style buck command :h3 pair_style buck/cuda command :h3 +pair_style buck/omp command :h3 pair_style buck/coul/cut command :h3 pair_style buck/coul/cut/cuda command :h3 +pair_style buck/coul/cut/omp command :h3 pair_style buck/coul/long command :h3 pair_style buck/coul/long/cuda command :h3 +pair_style buck/coul/long/omp command :h3 [Syntax:] @@ -101,15 +104,15 @@ 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_buck_coul.html b/doc/pair_buck_coul.html index cfb237e58d..149fe36e3d 100644 --- a/doc/pair_buck_coul.html +++ b/doc/pair_buck_coul.html @@ -11,6 +11,8 @@pair_style buck/coul command
+pair_style buck/coul/omp command +
Syntax:
pair_style buck/coul flag_buck flag_coul cutoff (cutoff2) @@ -103,6 +105,28 @@ global Coulombic cutoff is allowed.
+Styles with a cuda, gpu, 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 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, USER-OMP 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:
This pair styles does not support mixing. Thus, coefficients for all diff --git a/doc/pair_buck_coul.txt b/doc/pair_buck_coul.txt index 16638246a9..4db2117094 100644 --- a/doc/pair_buck_coul.txt +++ b/doc/pair_buck_coul.txt @@ -7,6 +7,7 @@ :line pair_style buck/coul command :h3 +pair_style buck/coul/omp command :h3 [Syntax:] @@ -95,6 +96,28 @@ global Coulombic cutoff is allowed. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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]: This pair styles does not support mixing. Thus, coefficients for all diff --git a/doc/pair_charmm.html b/doc/pair_charmm.html index 0f1b7c572e..50dcbe5e7d 100644 --- a/doc/pair_charmm.html +++ b/doc/pair_charmm.html @@ -13,10 +13,14 @@
pair_style lj/charmm/coul/charmm/cuda command
+pair_style lj/charmm/coul/charmm/omp command +
pair_style lj/charmm/coul/charmm/implicit command
pair_style lj/charmm/coul/charmm/implicit/cuda command
+pair_style lj/charmm/coul/charmm/implicit/omp command +
pair_style lj/charmm/coul/long command
pair_style lj/charmm/coul/long/cuda command @@ -25,6 +29,8 @@
pair_style lj/charmm/coul/long/opt command
+pair_style lj/charmm/coul/long/omp command +
Syntax:
pair_style style args @@ -117,15 +123,15 @@ 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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_charmm.txt b/doc/pair_charmm.txt index 7e38167b27..08fe292579 100644 --- a/doc/pair_charmm.txt +++ b/doc/pair_charmm.txt @@ -8,12 +8,15 @@ pair_style lj/charmm/coul/charmm command :h3 pair_style lj/charmm/coul/charmm/cuda command :h3 +pair_style lj/charmm/coul/charmm/omp 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/charmm/implicit/omp 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 +pair_style lj/charmm/coul/long/omp command :h3 [Syntax:] @@ -106,15 +109,15 @@ 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_class2.html b/doc/pair_class2.html index f379c35fcc..b4fc597158 100644 --- a/doc/pair_class2.html +++ b/doc/pair_class2.html @@ -15,16 +15,22 @@pair_style lj/class2/gpu command
+pair_style lj/class2/omp command +
pair_style lj/class2/coul/cut command
pair_style lj/class2/coul/cut/cuda command
+pair_style lj/class2/coul/cut/omp command +
pair_style lj/class2/coul/long command
pair_style lj/class2/coul/long/cuda command
pair_style lj/class2/coul/long/gpu command
+pair_style lj/class2/coul/long/omp command +
Syntax:
pair_style style args @@ -108,15 +114,15 @@ cutoff distance.
-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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
@@ -128,6 +134,8 @@ 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_class2.txt b/doc/pair_class2.txt index 881b458f35..3013727493 100644 --- a/doc/pair_class2.txt +++ b/doc/pair_class2.txt @@ -9,11 +9,14 @@ pair_style lj/class2 command :h3 pair_style lj/class2/cuda command :h3 pair_style lj/class2/gpu command :h3 +pair_style lj/class2/omp command :h3 pair_style lj/class2/coul/cut command :h3 pair_style lj/class2/coul/cut/cuda command :h3 +pair_style lj/class2/coul/cut/omp 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 +pair_style lj/class2/coul/long/omp command :h3 [Syntax:] @@ -97,15 +100,15 @@ cutoff distance. :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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. @@ -117,6 +120,8 @@ 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_colloid.html b/doc/pair_colloid.html index 7fb70fa85f..a1754fd5df 100644 --- a/doc/pair_colloid.html +++ b/doc/pair_colloid.html @@ -11,6 +11,8 @@
pair_style colloid command
+pair_style colloid/omp command +
Syntax:
pair_style colloid cutoff @@ -125,6 +127,28 @@ commands for efficiency: neighbor multi and
+Styles with a cuda, gpu, 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 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, USER-OMP 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 A, sigma, d1, and d2 diff --git a/doc/pair_colloid.txt b/doc/pair_colloid.txt index 7a519852e8..8a442ea078 100644 --- a/doc/pair_colloid.txt +++ b/doc/pair_colloid.txt @@ -7,6 +7,7 @@ :line pair_style colloid command :h3 +pair_style colloid/omp command :h3 [Syntax:] @@ -122,6 +123,28 @@ commands for efficiency: "neighbor multi"_neighbor.html and :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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 A, sigma, d1, and d2 diff --git a/doc/pair_comb.html b/doc/pair_comb.html index 3c2f35f354..71e245c9e6 100644 --- a/doc/pair_comb.html +++ b/doc/pair_comb.html @@ -11,6 +11,8 @@
pair_style comb command
+pair_style comb/omp command +
Syntax:
pair_style comb @@ -167,6 +169,28 @@ complex systems. Note that alloys and complex systems require all
+Styles with a cuda, gpu, 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 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, USER-OMP 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, where types I and J correspond to diff --git a/doc/pair_comb.txt b/doc/pair_comb.txt index 0b2cb0ae11..ed625ba629 100644 --- a/doc/pair_comb.txt +++ b/doc/pair_comb.txt @@ -7,6 +7,7 @@ :line pair_style comb command :h3 +pair_style comb/omp command :h3 [Syntax:] @@ -164,6 +165,28 @@ complex systems. Note that alloys and complex systems require all :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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, where types I and J correspond to diff --git a/doc/pair_coul.html b/doc/pair_coul.html index b0d9d858ce..6b6af23458 100644 --- a/doc/pair_coul.html +++ b/doc/pair_coul.html @@ -11,19 +11,24 @@
pair_style coul/cut command
+pair_style coul/cut/omp command +
pair_style coul/debye command
+pair_style coul/debye/omp command +
pair_style coul/long command
pair_style coul/long/gpu command
+pair_style coul/long/omp command +
Syntax:
-pair_style coul/cut cutoff ++pair_style coul/cut cutoff pair_style coul/debye kappa cutoff pair_style coul/long cutoff -pair_style coul/long/gpu cutoff -
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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_coul.txt b/doc/pair_coul.txt index 4fb60c2693..6e5e7a54ab 100644 --- a/doc/pair_coul.txt +++ b/doc/pair_coul.txt @@ -7,16 +7,18 @@ :line pair_style coul/cut command :h3 +pair_style coul/cut/omp command :h3 pair_style coul/debye command :h3 +pair_style coul/debye/omp command :h3 pair_style coul/long command :h3 pair_style coul/long/gpu command :h3 +pair_style coul/long/omp command :h3 [Syntax:] pair_style coul/cut cutoff pair_style coul/debye kappa cutoff pair_style coul/long cutoff -pair_style coul/long/gpu cutoff :pre cutoff = global cutoff for Coulombic interactions kappa = Debye length (inverse distance units) :ul @@ -86,15 +88,15 @@ 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_dipole.html b/doc/pair_dipole.html index 99d02a36e0..0c259887b2 100644 --- a/doc/pair_dipole.html +++ b/doc/pair_dipole.html @@ -11,8 +11,12 @@Syntax:
pair_style dipole/cut cutoff (cutoff2) @@ -120,6 +124,28 @@ type pair.
+Styles with a cuda, gpu, 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 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, USER-OMP 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_dipole.txt b/doc/pair_dipole.txt index bb735d7a45..d71ffef2e0 100755 --- a/doc/pair_dipole.txt +++ b/doc/pair_dipole.txt @@ -7,7 +7,9 @@ :line pair_style dipole/cut command :h3 +pair_style dipole/cut/omp command :h3 pair_style dipole/sf command :h3 +pair_style dipole/sf/omp command :h3 [Syntax:] @@ -114,6 +116,28 @@ type pair. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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_dpd.html b/doc/pair_dpd.html index 065b8c73d3..40d1dae1f0 100644 --- a/doc/pair_dpd.html +++ b/doc/pair_dpd.html @@ -11,8 +11,12 @@
pair_style dpd command
+pair_style dpd/omp command +
pair_style dpd/tstat command
+pair_style dpd/tstat/omp command +
Syntax:
pair_style dpd T cutoff seed @@ -94,6 +98,28 @@ except that A is not included.
+Styles with a cuda, gpu, 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 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, USER-OMP 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_dpd.txt b/doc/pair_dpd.txt index 4b2d1081d6..2b60a59375 100644 --- a/doc/pair_dpd.txt +++ b/doc/pair_dpd.txt @@ -7,7 +7,9 @@ :line pair_style dpd command :h3 +pair_style dpd/omp command :h3 pair_style dpd/tstat command :h3 +pair_style dpd/tstat/omp command :h3 [Syntax:] @@ -90,6 +92,28 @@ except that A is not included. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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_eam.html b/doc/pair_eam.html index 3584d06a9e..4f695c52e0 100644 --- a/doc/pair_eam.html +++ b/doc/pair_eam.html @@ -13,20 +13,28 @@
pair_style eam/cuda command
+pair_style eam/omp command +
pair_style eam/opt command
pair_style eam/alloy command
pair_style eam/alloy/cuda command
+pair_style eam/alloy/omp command +
pair_style eam/alloy/opt command
pair_style eam/cd command
+pair_style eam/cd/omp command +
pair_style eam/fs command
pair_style eam/fs/cuda command
+pair_style eam/fs/omp command +
pair_style eam/fs/opt command
Syntax: @@ -365,15 +373,15 @@ are listed.
-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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_eam.txt b/doc/pair_eam.txt index 5bc1779cb9..d0b06bf07b 100644 --- a/doc/pair_eam.txt +++ b/doc/pair_eam.txt @@ -8,13 +8,17 @@ pair_style eam command :h3 pair_style eam/cuda command :h3 +pair_style eam/omp 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/omp command :h3 pair_style eam/alloy/opt command :h3 pair_style eam/cd command :h3 +pair_style eam/cd/omp command :h3 pair_style eam/fs command :h3 pair_style eam/fs/cuda command :h3 +pair_style eam/fs/omp command :h3 pair_style eam/fs/opt command :h3 [Syntax:] @@ -353,15 +357,16 @@ are listed. :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. + +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_edip.html b/doc/pair_edip.html index 4a46880dd9..1c09c8ed49 100644 --- a/doc/pair_edip.html +++ b/doc/pair_edip.html @@ -15,6 +15,8 @@pair_style edip+pair_style edip/omp +Examples:
pair_style edip @@ -100,6 +102,28 @@ the EDIP package.
+Styles with a cuda, gpu, 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 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, USER-OMP 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:
This pair style does not support the pair_modify diff --git a/doc/pair_edip.txt b/doc/pair_edip.txt index af36fdd0b8..3494ce68f8 100644 --- a/doc/pair_edip.txt +++ b/doc/pair_edip.txt @@ -11,6 +11,7 @@ pair_style edip command :h3 [Syntax:] pair_style edip :pre +pair_style edip/omp :pre [Examples:] @@ -97,6 +98,28 @@ the EDIP package. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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]: This pair style does not support the "pair_modify"_pair_modify.html diff --git a/doc/pair_eim.html b/doc/pair_eim.html index b43368617c..484cb2505c 100644 --- a/doc/pair_eim.html +++ b/doc/pair_eim.html @@ -11,6 +11,8 @@
pair_style eim command
+pair_style eim/omp command +
Syntax:
pair_style style @@ -132,6 +134,28 @@ needs.
+Styles with a cuda, gpu, 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 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, USER-OMP 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. +
+
+Restrictions:
This style is part of the MANYBODY package. It is only enabled if diff --git a/doc/pair_eim.txt b/doc/pair_eim.txt index 240e551b85..21c0540058 100644 --- a/doc/pair_eim.txt +++ b/doc/pair_eim.txt @@ -7,6 +7,7 @@ :line pair_style eim command :h3 +pair_style eim/omp command :h3 [Syntax:] @@ -129,6 +130,28 @@ needs. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "this section"_Section_accelerate.html of the manual for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] This style is part of the MANYBODY package. It is only enabled if diff --git a/doc/pair_gauss.html b/doc/pair_gauss.html index c6ceaae2ae..4a5f91c30e 100644 --- a/doc/pair_gauss.html +++ b/doc/pair_gauss.html @@ -11,6 +11,8 @@
pair_style gauss command
+pair_style gauss/omp command +
Syntax:
pair_style gauss cutoff @@ -47,6 +49,28 @@ is used.
+Styles with a cuda, gpu, 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 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, USER-OMP 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:
This pair style does not support mixing. Thus, coefficients for all diff --git a/doc/pair_gauss.txt b/doc/pair_gauss.txt index 85fa1feea5..e3e5b19d66 100644 --- a/doc/pair_gauss.txt +++ b/doc/pair_gauss.txt @@ -7,6 +7,7 @@ :line pair_style gauss command :h3 +pair_style gauss/omp command :h3 [Syntax:] @@ -44,6 +45,28 @@ is used. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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]: This pair style does not support mixing. Thus, coefficients for all diff --git a/doc/pair_gayberne.html b/doc/pair_gayberne.html index e3d249ae4b..ff4e001ced 100644 --- a/doc/pair_gayberne.html +++ b/doc/pair_gayberne.html @@ -13,6 +13,8 @@
pair_style gayberne/gpu command
+pair_style gayberne/omp command +
Syntax:
pair_style gayberne gamma upsilon mu cutoff @@ -132,15 +134,15 @@ pair_coeff sigma to 1.0 as well.
-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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_gayberne.txt b/doc/pair_gayberne.txt index 6ff0f16dd5..9b3363c000 100755 --- a/doc/pair_gayberne.txt +++ b/doc/pair_gayberne.txt @@ -8,6 +8,7 @@ pair_style gayberne command :h3 pair_style gayberne/gpu command :h3 +pair_style gayberne/omp command :h3 [Syntax:] @@ -128,15 +129,15 @@ pair_coeff sigma to 1.0 as well. :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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_gran.html b/doc/pair_gran.html index 9e1bd6cddf..2c0056f522 100644 --- a/doc/pair_gran.html +++ b/doc/pair_gran.html @@ -13,10 +13,16 @@pair_style gran/cuda command
+pair_style gran/omp command +
pair_style gran/hooke/history command
+pair_style gran/hooke/history/omp command +
pair_style gran/hertz/history command
+pair_style gran/hertz/history/omp command +
Syntax:
pair_style style Kn Kt gamma_n gamma_t xmu dampflag @@ -170,15 +176,15 @@ 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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_gran.txt b/doc/pair_gran.txt index ec11abea35..d495c010f0 100644 --- a/doc/pair_gran.txt +++ b/doc/pair_gran.txt @@ -8,8 +8,11 @@ pair_style gran/hooke command :h3 pair_style gran/cuda command :h3 +pair_style gran/omp command :h3 pair_style gran/hooke/history command :h3 +pair_style gran/hooke/history/omp command :h3 pair_style gran/hertz/history command :h3 +pair_style gran/hertz/history/omp command :h3 [Syntax:] @@ -159,15 +162,15 @@ 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_gromacs.html b/doc/pair_gromacs.html index 9b17b09936..aa8051d5c0 100644 --- a/doc/pair_gromacs.html +++ b/doc/pair_gromacs.html @@ -13,10 +13,14 @@pair_style lj/gromacs/cuda command
+pair_style lj/gromacs/omp command +
pair_style lj/gromacs/coul/gromacs command
pair_style lj/gromacs/coul/gromacs/cuda command
+pair_style lj/gromacs/coul/gromacs/omp command +
Syntax:
pair_style style args @@ -92,15 +96,15 @@ 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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_gromacs.txt b/doc/pair_gromacs.txt index a57253568e..5fc8ef3c4b 100644 --- a/doc/pair_gromacs.txt +++ b/doc/pair_gromacs.txt @@ -8,8 +8,10 @@ pair_style lj/gromacs command :h3 pair_style lj/gromacs/cuda command :h3 +pair_style lj/gromacs/omp command :h3 pair_style lj/gromacs/coul/gromacs command :h3 pair_style lj/gromacs/coul/gromacs/cuda command :h3 +pair_style lj/gromacs/coul/gromacs/omp command :h3 [Syntax:] @@ -85,15 +87,15 @@ 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_hbond_dreiding.html b/doc/pair_hbond_dreiding.html index 624b0c22b8..d412af1ef6 100644 --- a/doc/pair_hbond_dreiding.html +++ b/doc/pair_hbond_dreiding.html @@ -11,8 +11,12 @@pair_style hbond/dreiding/lj command
+pair_style hbond/dreiding/lj/omp command +
pair_style hbond/dreiding/morse command
+pair_style hbond/dreiding/morse/omp command +
Syntax:
pair_style style N inner_distance_cutoff outer_distance_cutoff angle_cutof @@ -148,6 +152,28 @@ optional parameters.
+Styles with a cuda, gpu, 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 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, USER-OMP 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. You must explicitly identify diff --git a/doc/pair_hbond_dreiding.txt b/doc/pair_hbond_dreiding.txt index 8f7c09f1f0..afc469a4a3 100644 --- a/doc/pair_hbond_dreiding.txt +++ b/doc/pair_hbond_dreiding.txt @@ -7,7 +7,9 @@ :line pair_style hbond/dreiding/lj command :h3 +pair_style hbond/dreiding/lj/omp command :h3 pair_style hbond/dreiding/morse command :h3 +pair_style hbond/dreiding/morse/omp command :h3 [Syntax:] @@ -144,6 +146,28 @@ optional parameters. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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. You must explicitly identify diff --git a/doc/pair_hybrid.html b/doc/pair_hybrid.html index 8c5688c3a4..7fcba348da 100644 --- a/doc/pair_hybrid.html +++ b/doc/pair_hybrid.html @@ -11,8 +11,12 @@
pair_style hybrid command
+pair_style hybrid/omp command +
pair_style hybrid/overlay command
+pair_style hybrid/overlay/omp command +
Syntax:
pair_style hybrid style1 args style2 args ... @@ -212,6 +216,32 @@ passed to the Tersoff potential, which means it would compute no
+Styles with a cuda, gpu, 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 this section of the manual. +
+Since the hybrid and hybrid/overlay styles delegate computation +to the individual sub-styles, the suffix versions of the hybrid +and hybrid/overlay styles are used to propagate the corresponding +suffix to all sub-styles, if those versions exist. Otherwise the +non-accelerated version will be used. +
+The individual accelerated sub-styles are part of the USER-CUDA, GPU, +USER-OMP 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:
Any pair potential settings made via the diff --git a/doc/pair_hybrid.txt b/doc/pair_hybrid.txt index 099f5e39ea..b93fe360d8 100644 --- a/doc/pair_hybrid.txt +++ b/doc/pair_hybrid.txt @@ -7,7 +7,9 @@ :line pair_style hybrid command :h3 +pair_style hybrid/omp command :h3 pair_style hybrid/overlay command :h3 +pair_style hybrid/overlay/omp command :h3 [Syntax:] @@ -208,6 +210,32 @@ passed to the Tersoff potential, which means it would compute no :line +Styles with a {cuda}, {gpu}, {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 "this section"_Section_accelerate.html of the manual. + +Since the {hybrid} and {hybrid/overlay} styles delegate computation +to the individual sub-styles, the suffix versions of the {hybrid} +and {hybrid/overlay} styles are used to propagate the corresponding +suffix to all sub-styles, if those versions exist. Otherwise the +non-accelerated version will be used. + +The individual accelerated sub-styles are part of the USER-CUDA, GPU, +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 "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]: Any pair potential settings made via the diff --git a/doc/pair_lj.html b/doc/pair_lj.html index 9283346637..760e03f9f4 100644 --- a/doc/pair_lj.html +++ b/doc/pair_lj.html @@ -19,16 +19,22 @@
pair_style lj/cut/opt command
+pair_style lj/cut/omp 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/cut/omp command +
pair_style lj/cut/coul/debye command
pair_style lj/cut/coul/debye/cuda command
+pair_style lj/cut/coul/debye/omp command +
pair_style lj/cut/coul/long command
pair_style lj/cut/coul/long/cuda command @@ -37,8 +43,12 @@
pair_style lj/cut/coul/long/opt command
+pair_style lj/cut/coul/long/omp command +
pair_style lj/cut/coul/long/tip4p command
+pair_style lj/cut/coul/long/tip4p/omp command +
pair_style lj/cut/coul/long/tip4p/opt command
Syntax: @@ -177,15 +187,15 @@ 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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_lj.txt b/doc/pair_lj.txt index fb97f627d1..382af5b8a1 100644 --- a/doc/pair_lj.txt +++ b/doc/pair_lj.txt @@ -11,16 +11,21 @@ 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/omp 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/cut/omp command :h3 pair_style lj/cut/coul/debye command :h3 pair_style lj/cut/coul/debye/cuda command :h3 +pair_style lj/cut/coul/debye/omp 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/opt command :h3 +pair_style lj/cut/coul/long/omp command :h3 pair_style lj/cut/coul/long/tip4p command :h3 +pair_style lj/cut/coul/long/tip4p/omp command :h3 pair_style lj/cut/coul/long/tip4p/opt command :h3 [Syntax:] @@ -158,15 +163,15 @@ 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_lj96.html b/doc/pair_lj96.html index f32391b9af..97d794d73e 100644 --- a/doc/pair_lj96.html +++ b/doc/pair_lj96.html @@ -15,6 +15,8 @@pair_style lj96/cut/gpu command
+pair_style lj96/cut/omp command +
Syntax:
pair_style lj96/cut cutoff @@ -51,15 +53,15 @@ cutoff specified in the pair_style command is 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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_lj96.txt b/doc/pair_lj96.txt index 96fe64076e..dcdb3632c5 100644 --- a/doc/pair_lj96.txt +++ b/doc/pair_lj96.txt @@ -9,6 +9,7 @@ pair_style lj96/cut command :h3 pair_style lj96/cut/cuda command :h3 pair_style lj96/cut/gpu command :h3 +pair_style lj96/cut/omp command :h3 [Syntax:] @@ -46,15 +47,15 @@ cutoff specified in the pair_style command is 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_lj_coul.html b/doc/pair_lj_coul.html index b495c4d564..9faaba8715 100644 --- a/doc/pair_lj_coul.html +++ b/doc/pair_lj_coul.html @@ -11,6 +11,8 @@pair_style lj/coul command
+pair_style lj/coul/omp command +
Syntax:
pair_style lj/coul flag_lj flag_coul cutoff (cutoff2) @@ -105,6 +107,28 @@ pair, since only one global Coulombic cutoff is allowed.
+Styles with a cuda, gpu, 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 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, USER-OMP 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_lj_coul.txt b/doc/pair_lj_coul.txt index e731ee3424..1593ca4170 100644 --- a/doc/pair_lj_coul.txt +++ b/doc/pair_lj_coul.txt @@ -7,6 +7,7 @@ :line pair_style lj/coul command :h3 +pair_style lj/coul/omp command :h3 [Syntax:] @@ -97,6 +98,28 @@ pair, since only one global Coulombic cutoff is allowed. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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_cubic.html b/doc/pair_lj_cubic.html index 53451ca6b3..b5d72b8452 100644 --- a/doc/pair_lj_cubic.html +++ b/doc/pair_lj_cubic.html @@ -11,6 +11,8 @@
pair_style lj/cubic command
+pair_style lj/cubic/omp command +
Syntax:
pair_style lj/cubic @@ -62,6 +64,28 @@ so rmin = 1.
+Styles with a cuda, gpu, 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 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, USER-OMP 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_lj_cubic.txt b/doc/pair_lj_cubic.txt index 561c95232f..5d60cb12b4 100644 --- a/doc/pair_lj_cubic.txt +++ b/doc/pair_lj_cubic.txt @@ -7,6 +7,7 @@ :line pair_style lj/cubic command :h3 +pair_style lj/cubic/omp command :h3 [Syntax:] @@ -59,6 +60,28 @@ so rmin = 1. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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_expand.html b/doc/pair_lj_expand.html index 29b56468cb..9173bc7d5b 100644 --- a/doc/pair_lj_expand.html +++ b/doc/pair_lj_expand.html @@ -15,6 +15,8 @@
pair_style lj/expand/gpu command
+pair_style lj/expand/omp command +
Syntax:
pair_style lj/expand cutoff @@ -55,15 +57,15 @@ optional. If not specified, the global LJ cutoff is 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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_lj_expand.txt b/doc/pair_lj_expand.txt index 4efad12035..fc9fd047e0 100644 --- a/doc/pair_lj_expand.txt +++ b/doc/pair_lj_expand.txt @@ -9,6 +9,7 @@ pair_style lj/expand command :h3 pair_style lj/expand/cuda command :h3 pair_style lj/expand/gpu command :h3 +pair_style lj/expand/omp command :h3 [Syntax:] @@ -50,15 +51,15 @@ optional. If not specified, the global LJ cutoff is 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_lj_sf.html b/doc/pair_lj_sf.html index 71034f6139..7ff9011052 100644 --- a/doc/pair_lj_sf.html +++ b/doc/pair_lj_sf.html @@ -11,6 +11,8 @@pair_style lj/sf command
+pair_style lj/sf/omp command +
Syntax:
pair_style lj/sf cutoff @@ -46,6 +48,28 @@ LJ cutoff specified in the pair_style command is used.
+Styles with a cuda, gpu, 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 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, USER-OMP 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 diff --git a/doc/pair_lj_sf.txt b/doc/pair_lj_sf.txt index aade3f97a5..a56cf7485a 100644 --- a/doc/pair_lj_sf.txt +++ b/doc/pair_lj_sf.txt @@ -7,6 +7,7 @@ :line pair_style lj/sf command :h3 +pair_style lj/sf/omp command :h3 [Syntax:] @@ -43,6 +44,28 @@ LJ cutoff specified in the pair_style command is used. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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 diff --git a/doc/pair_lj_smooth.html b/doc/pair_lj_smooth.html index bffb1716ec..0805dd5f05 100644 --- a/doc/pair_lj_smooth.html +++ b/doc/pair_lj_smooth.html @@ -13,6 +13,8 @@
pair_style lj/smooth/cuda command
+pair_style lj/smooth/omp command +
Syntax:
pair_style lj/smooth Rin Rc @@ -63,15 +65,15 @@ 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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_lj_smooth.txt b/doc/pair_lj_smooth.txt index 5bbf2c48d8..b08bb47431 100644 --- a/doc/pair_lj_smooth.txt +++ b/doc/pair_lj_smooth.txt @@ -8,6 +8,7 @@ pair_style lj/smooth command :h3 pair_style lj/smooth/cuda command :h3 +pair_style lj/smooth/omp command :h3 [Syntax:] @@ -59,15 +60,15 @@ 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_lubricate.html b/doc/pair_lubricate.html index 63df12a6d8..0605657b2c 100644 --- a/doc/pair_lubricate.html +++ b/doc/pair_lubricate.html @@ -11,6 +11,8 @@pair_style lubricate command
+pair_style lubricate/omp command +
Syntax:
pair_style lubricate mu squeeze shear pump twist cutinner cutoff T_target seed @@ -96,6 +98,28 @@ must be specified.
+Styles with a cuda, gpu, 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 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, USER-OMP 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 two cutoff distances for this diff --git a/doc/pair_lubricate.txt b/doc/pair_lubricate.txt index b8f758cb8d..c244dae435 100644 --- a/doc/pair_lubricate.txt +++ b/doc/pair_lubricate.txt @@ -7,6 +7,7 @@ :line pair_style lubricate command :h3 +pair_style lubricate/omp command :h3 [Syntax:] @@ -93,6 +94,28 @@ must be specified. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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 two cutoff distances for this diff --git a/doc/pair_morse.html b/doc/pair_morse.html index bdb1af6548..eaf5f16085 100644 --- a/doc/pair_morse.html +++ b/doc/pair_morse.html @@ -15,6 +15,8 @@
pair_style morse/gpu command
+pair_style morse/omp command +
pair_style morse/opt command
Syntax: @@ -53,15 +55,15 @@ cutoff is 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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_morse.txt b/doc/pair_morse.txt index eb9d78cf6d..b31acbb5ac 100644 --- a/doc/pair_morse.txt +++ b/doc/pair_morse.txt @@ -9,6 +9,7 @@ pair_style morse command :h3 pair_style morse/cuda command :h3 pair_style morse/gpu command :h3 +pair_style morse/omp command :h3 pair_style morse/opt command :h3 [Syntax:] @@ -47,15 +48,15 @@ cutoff is 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_peri.html b/doc/pair_peri.html index 4dbf57a000..33bcbd17c1 100644 --- a/doc/pair_peri.html +++ b/doc/pair_peri.html @@ -11,8 +11,12 @@pair_style peri/pmb command
+pair_style peri/pmb/omp command +
pair_style peri/lps command
+pair_style peri/lps/omp command +
Syntax:
pair_style style @@ -79,6 +83,28 @@ details.
+Styles with a cuda, gpu, 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 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, USER-OMP 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_peri.txt b/doc/pair_peri.txt index 080508b37f..00f6636493 100644 --- a/doc/pair_peri.txt +++ b/doc/pair_peri.txt @@ -7,7 +7,9 @@ :line pair_style peri/pmb command :h3 +pair_style peri/pmb/omp command :h3 pair_style peri/lps command :h3 +pair_style peri/lps/omp command :h3 [Syntax:] @@ -75,6 +77,28 @@ details. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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_resquared.html b/doc/pair_resquared.html index c5bd317a70..63e274fb52 100644 --- a/doc/pair_resquared.html +++ b/doc/pair_resquared.html @@ -13,6 +13,8 @@
pair_style resquared/gpu command
+pair_style resquared/omp command +
Syntax:
pair_style resquared cutoff @@ -145,15 +147,15 @@ specified in the pair_style command is 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. +
Styles with a cuda, gpu, 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 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 +
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
diff --git a/doc/pair_resquared.txt b/doc/pair_resquared.txt index 71d50e8ebe..0762b05224 100755 --- a/doc/pair_resquared.txt +++ b/doc/pair_resquared.txt @@ -8,6 +8,7 @@ pair_style resquared command :h3 pair_style resquared/gpu command :h3 +pair_style resquared/omp command :h3 [Syntax:] @@ -141,15 +142,15 @@ specified in the pair_style command is 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. +Styles with a {cuda}, {gpu}, {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 "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 +These accelerated styles are part of the USER-CUDA, GPU, 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. diff --git a/doc/pair_soft.html b/doc/pair_soft.html index a444b544ff..145056ece1 100644 --- a/doc/pair_soft.html +++ b/doc/pair_soft.html @@ -11,6 +11,8 @@pair_style soft command
+pair_style soft/omp command +
Syntax:
pair_style soft cutoff @@ -80,6 +82,28 @@ variables.
+Styles with a cuda, gpu, 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 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, USER-OMP 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 A coefficient and cutoff diff --git a/doc/pair_soft.txt b/doc/pair_soft.txt index d1ca823fe5..14f68d7c45 100644 --- a/doc/pair_soft.txt +++ b/doc/pair_soft.txt @@ -7,6 +7,7 @@ :line pair_style soft command :h3 +pair_style soft/omp command :h3 [Syntax:] @@ -77,6 +78,28 @@ variables. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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 A coefficient and cutoff diff --git a/doc/pair_sw.html b/doc/pair_sw.html index 6267d6ba2e..fe1fa3b116 100644 --- a/doc/pair_sw.html +++ b/doc/pair_sw.html @@ -11,6 +11,8 @@
pair_style sw command
+pair_style sw/omp command +
Syntax:
pair_style sw @@ -137,6 +139,28 @@ taken from the ij and ik pairs (sigma, a, gamma)
+Styles with a cuda, gpu, 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 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, USER-OMP 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, where types I and J correspond to diff --git a/doc/pair_sw.txt b/doc/pair_sw.txt index 1b62af869b..d1ea462f1b 100644 --- a/doc/pair_sw.txt +++ b/doc/pair_sw.txt @@ -7,6 +7,7 @@ :line pair_style sw command :h3 +pair_style sw/omp command :h3 [Syntax:] @@ -134,6 +135,28 @@ taken from the ij and ik pairs (sigma, a, gamma) :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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, where types I and J correspond to diff --git a/doc/pair_table.html b/doc/pair_table.html index 0d96816e54..6b59e441bc 100644 --- a/doc/pair_table.html +++ b/doc/pair_table.html @@ -11,6 +11,8 @@
pair_style table command
+pair_style table/omp command +
Syntax:
pair_style table style N @@ -176,6 +178,28 @@ one that matches the specified keyword.
+Styles with a cuda, gpu, 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 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, USER-OMP 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:
This pair style does not support mixing. Thus, coefficients for all diff --git a/doc/pair_table.txt b/doc/pair_table.txt index a83961106a..64bdb31f46 100644 --- a/doc/pair_table.txt +++ b/doc/pair_table.txt @@ -7,6 +7,7 @@ :line pair_style table command :h3 +pair_style table/omp command :h3 [Syntax:] @@ -173,6 +174,28 @@ one that matches the specified keyword. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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]: This pair style does not support mixing. Thus, coefficients for all diff --git a/doc/pair_tersoff.html b/doc/pair_tersoff.html index ed15a307a1..96f629494a 100644 --- a/doc/pair_tersoff.html +++ b/doc/pair_tersoff.html @@ -15,6 +15,8 @@
pair_style tersoff+pair_style tersoff/omp +Examples:
pair_style tersoff @@ -158,6 +160,28 @@ defined in various papers.
+Styles with a cuda, gpu, 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 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, USER-OMP 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, where types I and J correspond to diff --git a/doc/pair_tersoff.txt b/doc/pair_tersoff.txt index f6cfd83169..2f0f539e95 100644 --- a/doc/pair_tersoff.txt +++ b/doc/pair_tersoff.txt @@ -11,6 +11,7 @@ pair_style tersoff command :h3 [Syntax:] pair_style tersoff :pre +pair_style tersoff/omp :pre [Examples:] @@ -155,6 +156,28 @@ defined in various papers. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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, where types I and J correspond to diff --git a/doc/pair_tersoff_zbl.html b/doc/pair_tersoff_zbl.html index 84e4c85fe5..be760ba0de 100644 --- a/doc/pair_tersoff_zbl.html +++ b/doc/pair_tersoff_zbl.html @@ -11,6 +11,8 @@
pair_style tersoff/zbl command
+pair_style tersoff/zbl/omp command +
Syntax:
pair_style tersoff/zbl @@ -178,6 +180,28 @@ providing the base ZBL implementation.
+Styles with a cuda, gpu, 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 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, USER-OMP 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, where types I and J correspond to diff --git a/doc/pair_tersoff_zbl.txt b/doc/pair_tersoff_zbl.txt index ade09bd52d..bf69d712bf 100644 --- a/doc/pair_tersoff_zbl.txt +++ b/doc/pair_tersoff_zbl.txt @@ -7,6 +7,7 @@ :line pair_style tersoff/zbl command :h3 +pair_style tersoff/zbl/omp command :h3 [Syntax:] @@ -175,6 +176,28 @@ providing the base ZBL implementation. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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, where types I and J correspond to diff --git a/doc/pair_yukawa.html b/doc/pair_yukawa.html index 660dfdfd64..51cdc757c4 100644 --- a/doc/pair_yukawa.html +++ b/doc/pair_yukawa.html @@ -11,6 +11,8 @@
pair_style yukawa command
+pair_style yukawa/omp command +
Syntax:
pair_style yukawa kappa cutoff @@ -46,6 +48,28 @@ cutoff is used.
+Styles with a cuda, gpu, 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 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, USER-OMP 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 A coefficient and cutoff diff --git a/doc/pair_yukawa.txt b/doc/pair_yukawa.txt index 6828af28ca..41b72a83a6 100644 --- a/doc/pair_yukawa.txt +++ b/doc/pair_yukawa.txt @@ -7,6 +7,7 @@ :line pair_style yukawa command :h3 +pair_style yukawa/omp command :h3 [Syntax:] @@ -43,6 +44,28 @@ cutoff is used. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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 A coefficient and cutoff diff --git a/doc/pair_yukawa_colloid.html b/doc/pair_yukawa_colloid.html index cdd706450d..fcb543318d 100644 --- a/doc/pair_yukawa_colloid.html +++ b/doc/pair_yukawa_colloid.html @@ -11,6 +11,8 @@
pair_style yukawa/colloid command
+pair_style yukawa/colloid/omp command +
Syntax:
pair_style yukawa/colloid kappa cutoff @@ -77,6 +79,28 @@ yukawa/colloid cutoff is used.
+Styles with a cuda, gpu, 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 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, USER-OMP 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 A coefficient and cutoff diff --git a/doc/pair_yukawa_colloid.txt b/doc/pair_yukawa_colloid.txt index ee09adf696..fc85fe3dba 100644 --- a/doc/pair_yukawa_colloid.txt +++ b/doc/pair_yukawa_colloid.txt @@ -7,6 +7,7 @@ :line pair_style yukawa/colloid command :h3 +pair_style yukawa/colloid/omp command :h3 [Syntax:] @@ -74,6 +75,28 @@ yukawa/colloid cutoff is used. :line +Styles with a {cuda}, {gpu}, {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 "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, 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 "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 A coefficient and cutoff diff --git a/doc/suffix.html b/doc/suffix.html index f60a581383..e58c86bf81 100644 --- a/doc/suffix.html +++ b/doc/suffix.html @@ -15,7 +15,7 @@
suffix style-
Examples:
@@ -30,24 +30,26 @@ exist. In that respect it operates the same as the this section of the manual. The "opt" style -corrsponds to the OPT package, the "gpu" style to the GPU package, and -the "cuda" style to the USER-CUDA package. +corrsponds to the OPT package, the "omp" style to the USER-OMP package, +the "gpu" style to the GPU package, and the "cuda" style to the +USER-CUDA package.These are the variants these packages provide:
As an example, all of the packages provide a pair_style -lj/cut variant, with style names lj/cut/opt or -lj/cut/gpu or lj/cut/cuda. A variant styles can be specified +lj/cut variant, with style names lj/cut/opt, lj/cut/omp, +lj/cut/gpu, or lj/cut/cuda. A variant styles can be specified explicitly in your input script, e.g. pair_style lj/cut/gpu. If the suffix command is used with the appropriate style, you do not need to -modify your input script. The specified suffix (opt,gpu,cuda) is +modify your input script. The specified suffix (opt,omp,gpu,cuda) is automatically appended whenever your input script command creates a new atom, pair, fix, compute, or run style. If the variant diff --git a/doc/suffix.txt b/doc/suffix.txt index 758ce38e95..ec773f0eb7 100644 --- a/doc/suffix.txt +++ b/doc/suffix.txt @@ -12,7 +12,7 @@ suffix command :h3 suffix style :pre -style = {off} or {on} or {opt} or {gpu} or {cuda} :ul +style = {off} or {on} or {opt} or {omp} or {gpu} or {cuda} :ul [Examples:] @@ -27,24 +27,26 @@ exist. In that respect it operates the same as the "-suffix command-line switch"_Section_start.html#start_6. It also has options to turn off/on any suffix setting made via the command line. -The specified style can be {opt} or {gpu} or {cuda}. These refer to +The specified style can be {opt}, {omp}, {gpu}, or {cuda}. These refer to optional packages that LAMMPS can be built with, as described in "this section of the manual"_Section_start.html#start_3. The "opt" style -corrsponds to the OPT package, the "gpu" style to the GPU package, and -the "cuda" style to the USER-CUDA package. +corrsponds to the OPT package, the "omp" style to the USER-OMP package, +the "gpu" style to the GPU package, and the "cuda" style to the +USER-CUDA package. These are the variants these packages provide: OPT = a handful of pair styles, cache-optimized for faster CPU performance +USER-OMP = a collection of pair, dihedral and fix styles with support for OpenMP multi-threading GPU = a handful of pair styles and the PPPM kspace_style, optimized to run on one or more GPUs or multicore CPU/GPU nodes USER-CUDA = a collection of atom, pair, fix, compute, and intergrate styles, optimized to run on one or more NVIDIA GPUs :ul As an example, all of the packages provide a "pair_style -lj/cut"_pair_lj.html variant, with style names lj/cut/opt or -lj/cut/gpu or lj/cut/cuda. A variant styles can be specified +lj/cut"_pair_lj.html variant, with style names lj/cut/opt, lj/cut/omp, +lj/cut/gpu, or lj/cut/cuda. A variant styles can be specified explicitly in your input script, e.g. pair_style lj/cut/gpu. If the suffix command is used with the appropriate style, you do not need to -modify your input script. The specified suffix (opt,gpu,cuda) is +modify your input script. The specified suffix (opt,omp,gpu,cuda) is automatically appended whenever your input script command creates a new "atom"_atom_style.html, "pair"_pair_style.html, "fix"_fix.html, "compute"_compute.html, or "run"_run_style.html style. If the variant