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8
doc/Manual.html
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@ -1,7 +1,7 @@
<HTML> <HTML>
<HEAD> <HEAD>
<TITLE>LAMMPS-ICMS Users Manual</TITLE> <TITLE>LAMMPS-ICMS Users Manual</TITLE>
<META NAME="docnumber" CONTENT="8 Aug 2014 version"> <META NAME="docnumber" CONTENT="14 Aug 2014 version">
<META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories"> <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
<META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License."> <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
</HEAD> </HEAD>
@ -22,7 +22,7 @@
<CENTER><H3>LAMMPS-ICMS Documentation <CENTER><H3>LAMMPS-ICMS Documentation
</H3></CENTER> </H3></CENTER>
<CENTER><H4>8 Aug 2014 version <CENTER><H4>14 Aug 2014 version
</H4></CENTER> </H4></CENTER>
<H4>Version info: <H4>Version info:
</H4> </H4>
@ -166,7 +166,9 @@ it gives quick access to documentation for all LAMMPS commands.
<BR> <BR>
5.8 <A HREF = "Section_accelerate.html#acc_8">KOKKOS package</A> 5.8 <A HREF = "Section_accelerate.html#acc_8">KOKKOS package</A>
<BR> <BR>
5.9 <A HREF = "Section_accelerate.html#acc_9">Comparison of GPU and USER-CUDA packages</A> 5.9 <A HREF = "Section_accelerate.html#acc_9">USER-INTEL package</A>
<BR>
5.10 <A HREF = "acc_10">Comparison of GPU and USER-CUDA packages</A>
<BR></UL> <BR></UL>
<LI><A HREF = "Section_howto.html">How-to discussions</A> <LI><A HREF = "Section_howto.html">How-to discussions</A>

7
doc/Manual.txt
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@ -1,6 +1,6 @@
<HEAD> <HEAD>
<TITLE>LAMMPS-ICMS Users Manual</TITLE> <TITLE>LAMMPS-ICMS Users Manual</TITLE>
<META NAME="docnumber" CONTENT="8 Aug 2014 version"> <META NAME="docnumber" CONTENT="14 Aug 2014 version">
<META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories"> <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
<META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License."> <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
</HEAD> </HEAD>
@ -18,7 +18,7 @@
<H1></H1> <H1></H1>
LAMMPS-ICMS Documentation :c,h3 LAMMPS-ICMS Documentation :c,h3
8 Aug 2014 version :c,h4 14 Aug 2014 version :c,h4
Version info: :h4 Version info: :h4
@ -127,7 +127,8 @@ it gives quick access to documentation for all LAMMPS commands.
5.6 "GPU package"_acc_6 :b 5.6 "GPU package"_acc_6 :b
5.7 "USER-CUDA package"_acc_7 :b 5.7 "USER-CUDA package"_acc_7 :b
5.8 "KOKKOS package"_acc_8 :b 5.8 "KOKKOS package"_acc_8 :b
5.9 "Comparison of GPU and USER-CUDA packages"_acc_9 :ule,b 5.9 "USER-INTEL package"_acc_9 :b
5.10 "Comparison of GPU and USER-CUDA packages"_acc_10 :ule,b
"How-to discussions"_Section_howto.html :l "How-to discussions"_Section_howto.html :l
6.1 "Restarting a simulation"_howto_1 :ulb,b 6.1 "Restarting a simulation"_howto_1 :ulb,b
6.2 "2d simulations"_howto_2 :b 6.2 "2d simulations"_howto_2 :b

181
doc/Section_accelerate.html
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@ -25,7 +25,8 @@ kinds of machines.
5.6 <A HREF = "#acc_6">GPU package</A><BR> 5.6 <A HREF = "#acc_6">GPU package</A><BR>
5.7 <A HREF = "#acc_7">USER-CUDA package</A><BR> 5.7 <A HREF = "#acc_7">USER-CUDA package</A><BR>
5.8 <A HREF = "#acc_8">KOKKOS package</A><BR> 5.8 <A HREF = "#acc_8">KOKKOS package</A><BR>
5.9 <A HREF = "#acc_9">Comparison of GPU and USER-CUDA packages</A> <BR> 5.9 <A HREF = "#acc_9">USER-INTEL package</A><BR>
5.10 <A HREF = "#acc_10">Comparison of GPU and USER-CUDA packages</A> <BR>
<HR> <HR>
@ -152,6 +153,7 @@ Lennard-Jones pair style <A HREF = "pair_lj.html">pair_style lj/cut</A>:
</P> </P>
<UL><LI><A HREF = "pair_lj.html">pair_style lj/cut/cuda</A> <UL><LI><A HREF = "pair_lj.html">pair_style lj/cut/cuda</A>
<LI><A HREF = "pair_lj.html">pair_style lj/cut/gpu</A> <LI><A HREF = "pair_lj.html">pair_style lj/cut/gpu</A>
<LI><A HREF = "pair_lj.html">pair_style lj/cut/intel</A>
<LI><A HREF = "pair_lj.html">pair_style lj/cut/kk</A> <LI><A HREF = "pair_lj.html">pair_style lj/cut/kk</A>
<LI><A HREF = "pair_lj.html">pair_style lj/cut/omp</A> <LI><A HREF = "pair_lj.html">pair_style lj/cut/omp</A>
<LI><A HREF = "pair_lj.html">pair_style lj/cut/opt</A> <LI><A HREF = "pair_lj.html">pair_style lj/cut/opt</A>
@ -170,6 +172,14 @@ packages, and can be run on NVIDIA GPUs associated with your CPUs.
The speed-up due to GPU usage depends on a variety of factors, as The speed-up due to GPU usage depends on a variety of factors, as
discussed below. discussed below.
</P> </P>
<P>Styles with an "intel" suffix are part of the USER-INTEL
package. These styles support vectorized single and mixed precision
calculations, in addition to full double precision. In extreme cases,
this can provide speedups over 3.5x on CPUs. The package also
supports acceleration with offload to Intel corprocessors (Xeon
Phi). This can result in additional speedup over 2x depending on the
hardware configuration.
</P>
<P>Styles with a "kk" suffix are part of the KOKKOS package, and can be <P>Styles with a "kk" suffix are part of the KOKKOS package, and can be
run using OpenMP, pthreads, or on an NVIDIA GPU. The speed-up depends run using OpenMP, pthreads, or on an NVIDIA GPU. The speed-up depends
on a variety of factors, as discussed below. on a variety of factors, as discussed below.
@ -254,15 +264,6 @@ other package which has no additional library dependencies:
<PRE>make yes-user-omp <PRE>make yes-user-omp
make machine make machine
</PRE> </PRE>
<P>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 <I>omp</I> style files present, which would lead to
compilation errors.
</P>
<P>If your input script uses one of regular styles that are also <P>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 exist as an OpenMP version in the USER-OMP package you can run
it as follows: it as follows:
@ -972,9 +973,167 @@ LAMMPS.
</P> </P>
<HR> <HR>
<H4><A NAME = "acc_9"></A>5.9 USER-INTEL package
</H4>
<P>The USER-INTEL package was developed by Mike Brown at Intel
Corporation. It provides a capability to accelerate simulations by
offloading neighbor list and non-bonded force calculations to Intel
coprocessors (Xeon Phi). Additionally, it supports running
simulations in single, mixed, or double precision with vectorization,
even if a coprocessor is not present, i.e. on an Intel CPU. The same
C++ code is used for both cases. When offloading to a coprocessor,
the routine is run twice, once with an offload flag.
</P>
<P>The USER-INTEL package can be used in tandem with the USER-OMP
package. This is useful when a USER-INTEL pair style is used, so that
other styles not supported by the USER-INTEL package, e.g. for bond,
angle, dihedral, improper, and long-range electrostatics can be run
with the USER-OMP package versions. If you have built LAMMPS with
both the USER-INTEL and USER-OMP packages, then this mode of operation
is made easier, because the "-suffix intel" <A HREF = "Section_start.html#start_7">command-line
switch</A> and the the <A HREF = "suffix.html">suffix
intel</A> command will both set a second-choice suffix to
"omp" so that styles from the USER-OMP package will be used if
available.
</P>
<P><B>Building LAMMPS with the USER-INTEL package:</B>
</P>
<P>The procedure for building LAMMPS with the USER-INTEL package is
simple. You have to edit your machine specific makefile to add the
flags to enable OpenMP support (<I>-openmp</I>) to both the CCFLAGS and
LINKFLAGS variables. You also need to add -DLAMMPS_MEMALIGN=64 and
-restrict to CCFLAGS.
</P>
<P>If you are compiling on the same architecture that will be used for
the runs, adding the flag <I>-xHost</I> will enable vectorization with the
Intel compiler. In order to build with support for an Intel
coprocessor, the flag <I>-offload</I> should be added to the LINKFLAGS line
and the flag <I>-DLMP_INTEL_OFFLOAD</I> should be added to the CCFLAGS
line.
</P>
<P>The files src/MAKE/Makefile.intel and src/MAKE/Makefile.intel_offload
are included in the src/MAKE directory with options that perform well
with the Intel compiler. The latter Makefile has support for offload
to coprocessors and the former does not.
</P>
<P>It is recommended that Intel Compiler 2013 SP1 update 1 be used for
compiling. Newer versions have some performance issues that are being
addressed. If using Intel MPI, version 5 or higher is recommended.
</P>
<P>The rest of the compilation is the same as for any other package that
has no additional library dependencies, e.g.
</P>
<PRE>make yes-user-intel yes-user-omp
make machine
</PRE>
<P><B>Running an input script:</B>
</P>
<P>The examples/intel directory has scripts that can be run with the
USER-INTEL package, as well as detailed instructions on how to run
them.
</P>
<P>The total number of MPI tasks used by LAMMPS (one or multiple per
compute node) is set in the usual manner via the mpirun or mpiexec
commands, and is independent of the Intel package.
</P>
<P>Input script requirements to run using pair styles with a <I>intel</I>
suffix are as follows:
</P>
<P>To invoke specific styles from the UESR-INTEL package, either append
"intel" to the style name (e.g. pair_style lj/cut/intel), or use the
<A HREF = "Section_start.html#start_7">-suffix command-line switch</A>, or use the
<A HREF = "suffix.html">suffix</A> command in the input script.
</P>
<P>Unless the <A HREF = "Section_start.html#start_7">-suffix intel command-line
switch</A> is used, a <A HREF = "package.html">package
intel</A> command must be used near the beginning of the
input script. The default precision mode for the USER-INTEL package
is <I>mixed</I>, meaning that accumulation is performed in double precision
and other calculations are performed in single precision. In order to
use all single or all double precision, the <A HREF = "package.html">package
intel</A> command must be used in the input script with a
"single" or "double" keyword specified.
</P>
<P><B>Running with an Intel coprocessor:</B>
</P>
<P>The USER-INTEL package supports offload of a fraction of the work to
Intel coprocessors (Xeon Phi). This is accomplished by setting a
balance fraction on the <A HREF = "package.html">package intel</A> command. A
balance of 0 runs all calculations on the CPU. A balance of 1 runs
all calculations on the coprocessor. A balance of 0.5 runs half of
the calculations on the coprocessor. Setting the balance to -1 will
enable dynamic load balancing that continously adjusts the fraction of
offloaded work throughout the simulation. This option typically
produces results within 5 to 10 percent of the optimal fixed balance.
By default, using the <A HREF = "suffix.html">suffix</A> command or <A HREF = "Section_start.html#start_7">-suffix
command-line switch</A> will use offload to a
coprocessor with the balance set to -1. If LAMMPS is built without
offload support, this setting is ignored.
</P>
<P>If one is running short benchmark runs with dynamic load balancing,
adding a short warm-up run (10-20 steps) will allow the load-balancer
to find a setting that will carry over to additional runs.
</P>
<P>The default for the <A HREF = "package.html">package intel</A> command is to have
all the MPI tasks on a given compute node use a single coprocessor
(Xeon Phi). In general, running with a large number of MPI tasks on
each node will perform best with offload. Each MPI task will
automatically get affinity to a subset of the hardware threads
available on the coprocessor. For example, if your card has 61 cores,
with 60 cores available for offload and 4 hardware threads per core
(240 total threads), running with 24 MPI tasks per node will cause
each MPI task to use a subset of 10 threads on the coprocessor. Fine
tuning of the number of threads to use per MPI task or the number of
threads to use per core can be accomplished with keywords to the
<A HREF = "package.html">package intel</A> command.
</P>
<P>If LAMMPS is using offload to a coprocessor (Xeon Phi), a diagnostic
line during the setup for a run is printed to the screen (not to log
files) indicating that offload is being used and the number of
coprocessor threads per MPI task. Additionally, an offload timing
summary is printed at the end of each run. When using offload, the
<A HREF = "atom_modify.html">sort</A> frequency for atom data is changed to 1 so
that the per-atom data is sorted every neighbor build.
</P>
<P>To use multiple coprocessors (Xeon Phis) on each compute node, the
<I>offload_cards</I> keyword can be specified with the <A HREF = "package.html">package
intel</A> command to specify the number of coprocessors to
use.
</P>
<P>For simulations with long-range electrostatics or bond, angle,
dihedral, improper calculations, computation and data transfer to the
coprocessor will run concurrently with computations and MPI
communications for these routines on the host. The USER-INTEL package
has two modes for deciding which atoms will be handled by the
coprocessor. The setting is controlled with the "offload_ghost"
option. When set to 0, ghost atoms (atoms at the borders between MPI
tasks) are not offloaded to the card. This allows for overlap of MPI
communication of forces with computation on the coprocessor when the
<A HREF = "newton.html">newton</A> setting is "on". The default is dependent on the
style being used, however, better performance might be achieved by
setting this explictly.
</P>
<P>In order to control the number of OpenMP threads used on the host, the
OMP_NUM_THREADS environment variable should be set. This variable will
not influence the number of threads used on the coprocessor. Only the
<A HREF = "package.html">package intel</A> command can be used to control thread
counts on the coprocessor.
</P>
<P><B>Restrictions:</B>
</P>
<P>When using offload, <A HREF = "pair_hybrid.html">hybrid</A> styles that require skip
lists for neighbor builds cannot be offloaded to the coprocessor.
Using <A HREF = "pair_hybrid.html">hybrid/overlay</A> is allowed. Only one intel
accelerated style may be used with hybrid styles. Exclusion lists are
not currently supported with offload, however, the same effect can
often be accomplished by setting cutoffs for excluded atom types to 0.
None of the pair styles in the USER-OMP package currently support the
"inner", "middle", "outer" options for rRESPA integration via the
<A HREF = "run_style.html">run_style respa</A> command.
</P>
<HR> <HR>
<H4><A NAME = "acc_9"></A>5.9 Comparison of GPU and USER-CUDA packages <H4><A NAME = "acc_10"></A>5.10 Comparison of GPU and USER-CUDA packages
</H4> </H4>
<P>Both the GPU and USER-CUDA packages accelerate a LAMMPS calculation <P>Both the GPU and USER-CUDA packages accelerate a LAMMPS calculation
using NVIDIA hardware, but they do it in different ways. using NVIDIA hardware, but they do it in different ways.

182
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View File

@ -22,7 +22,8 @@ kinds of machines.
5.6 "GPU package"_#acc_6 5.6 "GPU package"_#acc_6
5.7 "USER-CUDA package"_#acc_7 5.7 "USER-CUDA package"_#acc_7
5.8 "KOKKOS package"_#acc_8 5.8 "KOKKOS package"_#acc_8
5.9 "Comparison of GPU and USER-CUDA packages"_#acc_9 :all(b) 5.9 "USER-INTEL package"_#acc_9
5.10 "Comparison of GPU and USER-CUDA packages"_#acc_10 :all(b)
:line :line
:line :line
@ -148,6 +149,7 @@ Lennard-Jones pair style "pair_style lj/cut"_pair_lj.html:
"pair_style lj/cut/cuda"_pair_lj.html "pair_style lj/cut/cuda"_pair_lj.html
"pair_style lj/cut/gpu"_pair_lj.html "pair_style lj/cut/gpu"_pair_lj.html
"pair_style lj/cut/intel"_pair_lj.html
"pair_style lj/cut/kk"_pair_lj.html "pair_style lj/cut/kk"_pair_lj.html
"pair_style lj/cut/omp"_pair_lj.html "pair_style lj/cut/omp"_pair_lj.html
"pair_style lj/cut/opt"_pair_lj.html :ul "pair_style lj/cut/opt"_pair_lj.html :ul
@ -166,6 +168,14 @@ packages, and can be run on NVIDIA GPUs associated with your CPUs.
The speed-up due to GPU usage depends on a variety of factors, as The speed-up due to GPU usage depends on a variety of factors, as
discussed below. discussed below.
Styles with an "intel" suffix are part of the USER-INTEL
package. These styles support vectorized single and mixed precision
calculations, in addition to full double precision. In extreme cases,
this can provide speedups over 3.5x on CPUs. The package also
supports acceleration with offload to Intel corprocessors (Xeon
Phi). This can result in additional speedup over 2x depending on the
hardware configuration.
Styles with a "kk" suffix are part of the KOKKOS package, and can be Styles with a "kk" suffix are part of the KOKKOS package, and can be
run using OpenMP, pthreads, or on an NVIDIA GPU. The speed-up depends run using OpenMP, pthreads, or on an NVIDIA GPU. The speed-up depends
on a variety of factors, as discussed below. on a variety of factors, as discussed below.
@ -250,15 +260,6 @@ other package which has no additional library dependencies:
make yes-user-omp make yes-user-omp
make machine :pre make machine :pre
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 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 exist as an OpenMP version in the USER-OMP package you can run
it as follows: it as follows:
@ -970,9 +971,168 @@ hope to support this in the future, similar to the GPU package in
LAMMPS. LAMMPS.
:line :line
5.9 USER-INTEL package :h4,link(acc_9)
The USER-INTEL package was developed by Mike Brown at Intel
Corporation. It provides a capability to accelerate simulations by
offloading neighbor list and non-bonded force calculations to Intel
coprocessors (Xeon Phi). Additionally, it supports running
simulations in single, mixed, or double precision with vectorization,
even if a coprocessor is not present, i.e. on an Intel CPU. The same
C++ code is used for both cases. When offloading to a coprocessor,
the routine is run twice, once with an offload flag.
The USER-INTEL package can be used in tandem with the USER-OMP
package. This is useful when a USER-INTEL pair style is used, so that
other styles not supported by the USER-INTEL package, e.g. for bond,
angle, dihedral, improper, and long-range electrostatics can be run
with the USER-OMP package versions. If you have built LAMMPS with
both the USER-INTEL and USER-OMP packages, then this mode of operation
is made easier, because the "-suffix intel" "command-line
switch"_Section_start.html#start_7 and the the "suffix
intel"_suffix.html command will both set a second-choice suffix to
"omp" so that styles from the USER-OMP package will be used if
available.
[Building LAMMPS with the USER-INTEL package:]
The procedure for building LAMMPS with the USER-INTEL package is
simple. You have to edit your machine specific makefile to add the
flags to enable OpenMP support ({-openmp}) to both the CCFLAGS and
LINKFLAGS variables. You also need to add -DLAMMPS_MEMALIGN=64 and
-restrict to CCFLAGS.
If you are compiling on the same architecture that will be used for
the runs, adding the flag {-xHost} will enable vectorization with the
Intel compiler. In order to build with support for an Intel
coprocessor, the flag {-offload} should be added to the LINKFLAGS line
and the flag {-DLMP_INTEL_OFFLOAD} should be added to the CCFLAGS
line.
The files src/MAKE/Makefile.intel and src/MAKE/Makefile.intel_offload
are included in the src/MAKE directory with options that perform well
with the Intel compiler. The latter Makefile has support for offload
to coprocessors and the former does not.
It is recommended that Intel Compiler 2013 SP1 update 1 be used for
compiling. Newer versions have some performance issues that are being
addressed. If using Intel MPI, version 5 or higher is recommended.
The rest of the compilation is the same as for any other package that
has no additional library dependencies, e.g.
make yes-user-intel yes-user-omp
make machine :pre
[Running an input script:]
The examples/intel directory has scripts that can be run with the
USER-INTEL package, as well as detailed instructions on how to run
them.
The total number of MPI tasks used by LAMMPS (one or multiple per
compute node) is set in the usual manner via the mpirun or mpiexec
commands, and is independent of the Intel package.
Input script requirements to run using pair styles with a {intel}
suffix are as follows:
To invoke specific styles from the UESR-INTEL package, either append
"intel" to the style name (e.g. pair_style lj/cut/intel), or use the
"-suffix command-line switch"_Section_start.html#start_7, or use the
"suffix"_suffix.html command in the input script.
Unless the "-suffix intel command-line
switch"_Section_start.html#start_7 is used, a "package
intel"_package.html command must be used near the beginning of the
input script. The default precision mode for the USER-INTEL package
is {mixed}, meaning that accumulation is performed in double precision
and other calculations are performed in single precision. In order to
use all single or all double precision, the "package
intel"_package.html command must be used in the input script with a
"single" or "double" keyword specified.
[Running with an Intel coprocessor:]
The USER-INTEL package supports offload of a fraction of the work to
Intel coprocessors (Xeon Phi). This is accomplished by setting a
balance fraction on the "package intel"_package.html command. A
balance of 0 runs all calculations on the CPU. A balance of 1 runs
all calculations on the coprocessor. A balance of 0.5 runs half of
the calculations on the coprocessor. Setting the balance to -1 will
enable dynamic load balancing that continously adjusts the fraction of
offloaded work throughout the simulation. This option typically
produces results within 5 to 10 percent of the optimal fixed balance.
By default, using the "suffix"_suffix.html command or "-suffix
command-line switch"_Section_start.html#start_7 will use offload to a
coprocessor with the balance set to -1. If LAMMPS is built without
offload support, this setting is ignored.
If one is running short benchmark runs with dynamic load balancing,
adding a short warm-up run (10-20 steps) will allow the load-balancer
to find a setting that will carry over to additional runs.
The default for the "package intel"_package.html command is to have
all the MPI tasks on a given compute node use a single coprocessor
(Xeon Phi). In general, running with a large number of MPI tasks on
each node will perform best with offload. Each MPI task will
automatically get affinity to a subset of the hardware threads
available on the coprocessor. For example, if your card has 61 cores,
with 60 cores available for offload and 4 hardware threads per core
(240 total threads), running with 24 MPI tasks per node will cause
each MPI task to use a subset of 10 threads on the coprocessor. Fine
tuning of the number of threads to use per MPI task or the number of
threads to use per core can be accomplished with keywords to the
"package intel"_package.html command.
If LAMMPS is using offload to a coprocessor (Xeon Phi), a diagnostic
line during the setup for a run is printed to the screen (not to log
files) indicating that offload is being used and the number of
coprocessor threads per MPI task. Additionally, an offload timing
summary is printed at the end of each run. When using offload, the
"sort"_atom_modify.html frequency for atom data is changed to 1 so
that the per-atom data is sorted every neighbor build.
To use multiple coprocessors (Xeon Phis) on each compute node, the
{offload_cards} keyword can be specified with the "package
intel"_package.html command to specify the number of coprocessors to
use.
For simulations with long-range electrostatics or bond, angle,
dihedral, improper calculations, computation and data transfer to the
coprocessor will run concurrently with computations and MPI
communications for these routines on the host. The USER-INTEL package
has two modes for deciding which atoms will be handled by the
coprocessor. The setting is controlled with the "offload_ghost"
option. When set to 0, ghost atoms (atoms at the borders between MPI
tasks) are not offloaded to the card. This allows for overlap of MPI
communication of forces with computation on the coprocessor when the
"newton"_newton.html setting is "on". The default is dependent on the
style being used, however, better performance might be achieved by
setting this explictly.
In order to control the number of OpenMP threads used on the host, the
OMP_NUM_THREADS environment variable should be set. This variable will
not influence the number of threads used on the coprocessor. Only the
"package intel"_package.html command can be used to control thread
counts on the coprocessor.
[Restrictions:]
When using offload, "hybrid"_pair_hybrid.html styles that require skip
lists for neighbor builds cannot be offloaded to the coprocessor.
Using "hybrid/overlay"_pair_hybrid.html is allowed. Only one intel
accelerated style may be used with hybrid styles. Exclusion lists are
not currently supported with offload, however, the same effect can
often be accomplished by setting cutoffs for excluded atom types to 0.
None of the pair styles in the USER-OMP package currently support the
"inner", "middle", "outer" options for rRESPA integration via the
"run_style respa"_run_style.html command.
:line :line
5.9 Comparison of GPU and USER-CUDA packages :h4,link(acc_9) 5.10 Comparison of GPU and USER-CUDA packages :h4,link(acc_10)
Both the GPU and USER-CUDA packages accelerate a LAMMPS calculation Both the GPU and USER-CUDA packages accelerate a LAMMPS calculation
using NVIDIA hardware, but they do it in different ways. using NVIDIA hardware, but they do it in different ways.

29
doc/Section_commands.html
View File

@ -542,20 +542,21 @@ package</A>.
<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/alloy/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/cd/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/cuda</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/alloy/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/cd/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/fs/gpu</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/fs/gpu</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/opt</A></TD><TD ><A HREF = "pair_edip.html">edip/omp</A></TD><TD ><A HREF = "pair_eim.html">eim/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/omp</A></TD><TD ><A HREF = "pair_eam.html">eam/opt</A></TD><TD ><A HREF = "pair_edip.html">edip/omp</A></TD><TD ><A HREF = "pair_eim.html">eim/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gauss.html">gauss/gpu</A></TD><TD ><A HREF = "pair_gauss.html">gauss/omp</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne/gpu</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_gauss.html">gauss/gpu</A></TD><TD ><A HREF = "pair_gauss.html">gauss/omp</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne/gpu</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne/intel</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/hertz/history/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/cuda</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/history/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_gayberne.html">gayberne/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hertz/history/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/cuda</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/history/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj/omp</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse/omp</A></TD><TD ><A HREF = "pair_line_lj.html">line/lj/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/cuda</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/hooke/omp</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj/omp</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse/omp</A></TD><TD ><A HREF = "pair_line_lj.html">line/lj/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/cuda</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/gpu</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/charmm/coul/long/soft</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/charmm/coul/long/soft/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/gpu</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/intel</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj_soft.html">lj/charmm/coul/long/soft</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/charmm/coul/long/soft/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/msm/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/gpu</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/msm/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/omp</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/gpu</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/omp</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/cut/coul/cut/soft/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/omp</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/cut/coul/cut/soft/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/cuda</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/intel</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm/opt</A></TD><TD ><A HREF = "pair_lj_soft.html">lj/cut/coul/long/soft/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/kk</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm/opt</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut/gpu</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut/omp</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/sf/gpu</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/sf/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj_soft.html">lj/cut/coul/long/soft/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/cuda</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut/gpu</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/experimental/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/sf/gpu</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/sf/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/experimental/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/intel</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/kk</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj_soft.html">lj/cut/soft/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long/opt</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj_soft.html">lj/cut/soft/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long/opt</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj_soft.html">lj/cut/tip4p/long/soft/omp</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/cuda</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/gpu</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj_soft.html">lj/cut/tip4p/long/soft/omp</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/cuda</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/gpu</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/omp</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/omp</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/gpu</A></TD></TR>

6
doc/Section_commands.txt
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@ -942,6 +942,7 @@ package"_Section_accelerate.html.
"gauss/gpu"_pair_gauss.html, "gauss/gpu"_pair_gauss.html,
"gauss/omp"_pair_gauss.html, "gauss/omp"_pair_gauss.html,
"gayberne/gpu"_pair_gayberne.html, "gayberne/gpu"_pair_gayberne.html,
"gayberne/intel"_pair_gayberne.html,
"gayberne/omp"_pair_gayberne.html, "gayberne/omp"_pair_gayberne.html,
"gran/hertz/history/omp"_pair_gran.html, "gran/hertz/history/omp"_pair_gran.html,
"gran/hooke/cuda"_pair_gran.html, "gran/hooke/cuda"_pair_gran.html,
@ -956,6 +957,7 @@ package"_Section_accelerate.html.
"lj/charmm/coul/charmm/implicit/omp"_pair_charmm.html, "lj/charmm/coul/charmm/implicit/omp"_pair_charmm.html,
"lj/charmm/coul/long/cuda"_pair_charmm.html, "lj/charmm/coul/long/cuda"_pair_charmm.html,
"lj/charmm/coul/long/gpu"_pair_charmm.html, "lj/charmm/coul/long/gpu"_pair_charmm.html,
"lj/charmm/coul/long/intel"_pair_charmm.html,
"lj/charmm/coul/long/omp"_pair_charmm.html, "lj/charmm/coul/long/omp"_pair_charmm.html,
"lj/charmm/coul/long/soft"_pair_lj_soft.html, "lj/charmm/coul/long/soft"_pair_lj_soft.html,
"lj/charmm/coul/long/soft/omp"_pair_lj_soft.html, "lj/charmm/coul/long/soft/omp"_pair_lj_soft.html,
@ -980,19 +982,21 @@ package"_Section_accelerate.html.
"lj/cut/coul/dsf/omp"_pair_lj.html, "lj/cut/coul/dsf/omp"_pair_lj.html,
"lj/cut/coul/long/cuda"_pair_lj.html, "lj/cut/coul/long/cuda"_pair_lj.html,
"lj/cut/coul/long/gpu"_pair_lj.html, "lj/cut/coul/long/gpu"_pair_lj.html,
"lj/cut/coul/long/intel"_pair_lj.html,
"lj/cut/coul/long/omp"_pair_lj.html, "lj/cut/coul/long/omp"_pair_lj.html,
"lj/cut/coul/long/opt"_pair_lj.html, "lj/cut/coul/long/opt"_pair_lj.html,
"lj/cut/coul/msm/gpu"_pair_lj.html, "lj/cut/coul/msm/gpu"_pair_lj.html,
"lj/cut/coul/msm/opt"_pair_lj.html, "lj/cut/coul/msm/opt"_pair_lj.html,
"lj/cut/coul/long/soft/omp"_pair_lj_soft.html, "lj/cut/coul/long/soft/omp"_pair_lj_soft.html,
"lj/cut/cuda"_pair_lj.html, "lj/cut/cuda"_pair_lj.html,
"lj/cut/kk"_pair_lj.html,
"lj/cut/dipole/cut/gpu"_pair_dipole.html, "lj/cut/dipole/cut/gpu"_pair_dipole.html,
"lj/cut/dipole/cut/omp"_pair_dipole.html, "lj/cut/dipole/cut/omp"_pair_dipole.html,
"lj/cut/dipole/sf/gpu"_pair_dipole.html, "lj/cut/dipole/sf/gpu"_pair_dipole.html,
"lj/cut/dipole/sf/omp"_pair_dipole.html, "lj/cut/dipole/sf/omp"_pair_dipole.html,
"lj/cut/experimental/cuda"_pair_lj.html, "lj/cut/experimental/cuda"_pair_lj.html,
"lj/cut/gpu"_pair_lj.html, "lj/cut/gpu"_pair_lj.html,
"lj/cut/intel"_pair_lj.html,
"lj/cut/kk"_pair_lj.html,
"lj/cut/omp"_pair_lj.html, "lj/cut/omp"_pair_lj.html,
"lj/cut/opt"_pair_lj.html, "lj/cut/opt"_pair_lj.html,
"lj/cut/soft/omp"_pair_lj_soft.html, "lj/cut/soft/omp"_pair_lj_soft.html,

1
doc/Section_example.html
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@ -59,6 +59,7 @@ section of the <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A>.
<TR><TD >gpu</TD><TD > use of the GPU package for GPU acceleration</TD></TR> <TR><TD >gpu</TD><TD > use of the GPU package for GPU acceleration</TD></TR>
<TR><TD >hugoniostat</TD><TD > Hugoniostat shock dynamics</TD></TR> <TR><TD >hugoniostat</TD><TD > Hugoniostat shock dynamics</TD></TR>
<TR><TD >indent</TD><TD > spherical indenter into a 2d solid</TD></TR> <TR><TD >indent</TD><TD > spherical indenter into a 2d solid</TD></TR>
<TR><TD >intel</TD><TD > use of the USER-INTEL package for CPU or Xeon Phi acceleration</TD></TR>
<TR><TD >kim</TD><TD > use of potentials in Knowledge Base for Interatomic Models (KIM)</TD></TR> <TR><TD >kim</TD><TD > use of potentials in Knowledge Base for Interatomic Models (KIM)</TD></TR>
<TR><TD >line</TD><TD > line segment particles in 2d rigid bodies</TD></TR> <TR><TD >line</TD><TD > line segment particles in 2d rigid bodies</TD></TR>
<TR><TD >meam</TD><TD > MEAM test for SiC and shear (same as shear examples)</TD></TR> <TR><TD >meam</TD><TD > MEAM test for SiC and shear (same as shear examples)</TD></TR>

1
doc/Section_example.txt
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@ -55,6 +55,7 @@ friction: frictional contact of spherical asperities between 2d surfaces
gpu: use of the GPU package for GPU acceleration gpu: use of the GPU package for GPU acceleration
hugoniostat: Hugoniostat shock dynamics hugoniostat: Hugoniostat shock dynamics
indent: spherical indenter into a 2d solid indent: spherical indenter into a 2d solid
intel: use of the USER-INTEL package for CPU or Xeon Phi acceleration
kim: use of potentials in Knowledge Base for Interatomic Models (KIM) kim: use of potentials in Knowledge Base for Interatomic Models (KIM)
line: line segment particles in 2d rigid bodies line: line segment particles in 2d rigid bodies
meam: MEAM test for SiC and shear (same as shear examples) meam: MEAM test for SiC and shear (same as shear examples)

2
doc/Section_intro.html
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@ -109,7 +109,7 @@ it to LAMMPS.
<LI> open-source distribution <LI> open-source distribution
<LI> highly portable C++ <LI> highly portable C++
<LI> optional libraries used: MPI and single-processor FFT <LI> optional libraries used: MPI and single-processor FFT
<LI> GPU (CUDA and OpenCL) and OpenMP support for many code features <LI> Intel Xeon Phi, GPU (CUDA and OpenCL), and OpenMP support for many code features
<LI> easy to extend with new features and functionality <LI> easy to extend with new features and functionality
<LI> runs from an input script <LI> runs from an input script
<LI> syntax for defining and using variables and formulas <LI> syntax for defining and using variables and formulas

2
doc/Section_intro.txt
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@ -105,7 +105,7 @@ General features :h4
open-source distribution open-source distribution
highly portable C++ highly portable C++
optional libraries used: MPI and single-processor FFT optional libraries used: MPI and single-processor FFT
GPU (CUDA and OpenCL) and OpenMP support for many code features Intel Xeon Phi, GPU (CUDA and OpenCL), and OpenMP support for many code features
easy to extend with new features and functionality easy to extend with new features and functionality
runs from an input script runs from an input script
syntax for defining and using variables and formulas syntax for defining and using variables and formulas

1
doc/Section_packages.html
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@ -125,6 +125,7 @@ on how to build LAMMPS with both kinds of auxiliary libraries.
<TR ALIGN="center"><TD >USER-CUDA</TD><TD > NVIDIA GPU styles</TD><TD > Christian Trott (U Tech Ilmenau)</TD><TD > <A HREF = "Section_accelerate.html#acc_7">Section accelerate</A></TD><TD > USER/cuda</TD><TD > -</TD><TD > lib/cuda</TD></TR> <TR ALIGN="center"><TD >USER-CUDA</TD><TD > NVIDIA GPU styles</TD><TD > Christian Trott (U Tech Ilmenau)</TD><TD > <A HREF = "Section_accelerate.html#acc_7">Section accelerate</A></TD><TD > USER/cuda</TD><TD > -</TD><TD > lib/cuda</TD></TR>
<TR ALIGN="center"><TD >USER-EFF</TD><TD > electron force field</TD><TD > Andres Jaramillo-Botero (Caltech)</TD><TD > <A HREF = "pair_eff.html">pair_style eff/cut</A></TD><TD > USER/eff</TD><TD > <A HREF = "http://lammps.sandia.gov/movies.html#eff">eff</A></TD><TD > -</TD></TR> <TR ALIGN="center"><TD >USER-EFF</TD><TD > electron force field</TD><TD > Andres Jaramillo-Botero (Caltech)</TD><TD > <A HREF = "pair_eff.html">pair_style eff/cut</A></TD><TD > USER/eff</TD><TD > <A HREF = "http://lammps.sandia.gov/movies.html#eff">eff</A></TD><TD > -</TD></TR>
<TR ALIGN="center"><TD >USER-FEP</TD><TD > free energy perturbation</TD><TD > Agilio Padua (U Blaise Pascal Clermont-Ferrand)</TD><TD > <A HREF = "fix_adapt.html">fix adapt/fep</A></TD><TD > USER/fep</TD><TD > -</TD><TD > -</TD></TR> <TR ALIGN="center"><TD >USER-FEP</TD><TD > free energy perturbation</TD><TD > Agilio Padua (U Blaise Pascal Clermont-Ferrand)</TD><TD > <A HREF = "fix_adapt.html">fix adapt/fep</A></TD><TD > USER/fep</TD><TD > -</TD><TD > -</TD></TR>
<TR ALIGN="center"><TD >USER-INTEL</TD><TD > Vectorized CPU and Intel coprocessor styles</TD><TD > W. Michael Brown (Intel)</TD><TD > <A HREF = "Section_accelerate.html#acc_9">Section accelerate</A></TD><TD > examples/intel</TD><TD > -</TD><TD > -</TD></TR>
<TR ALIGN="center"><TD >USER-LB</TD><TD > Lattice Boltzmann fluid</TD><TD > Colin Denniston (U Western Ontario)</TD><TD > <A HREF = "fix_lb_fluid.html">fix lb/fluid</A></TD><TD > USER/lb</TD><TD > -</TD><TD > -</TD></TR> <TR ALIGN="center"><TD >USER-LB</TD><TD > Lattice Boltzmann fluid</TD><TD > Colin Denniston (U Western Ontario)</TD><TD > <A HREF = "fix_lb_fluid.html">fix lb/fluid</A></TD><TD > USER/lb</TD><TD > -</TD><TD > -</TD></TR>
<TR ALIGN="center"><TD >USER-MISC</TD><TD > single-file contributions</TD><TD > USER-MISC/README</TD><TD > USER-MISC/README</TD><TD > -</TD><TD > -</TD><TD > -</TD></TR> <TR ALIGN="center"><TD >USER-MISC</TD><TD > single-file contributions</TD><TD > USER-MISC/README</TD><TD > USER-MISC/README</TD><TD > -</TD><TD > -</TD><TD > -</TD></TR>
<TR ALIGN="center"><TD >USER-MOLFILE</TD><TD > <A HREF = "http://www.ks.uiuc.edu/Research/vmd">VMD</A> molfile plug-ins</TD><TD > Axel Kohlmeyer (Temple U)</TD><TD > <A HREF = "dump_molfile.html">dump molfile</A></TD><TD > -</TD><TD > -</TD><TD > VMD-MOLFILE</TD></TR> <TR ALIGN="center"><TD >USER-MOLFILE</TD><TD > <A HREF = "http://www.ks.uiuc.edu/Research/vmd">VMD</A> molfile plug-ins</TD><TD > Axel Kohlmeyer (Temple U)</TD><TD > <A HREF = "dump_molfile.html">dump molfile</A></TD><TD > -</TD><TD > -</TD><TD > VMD-MOLFILE</TD></TR>

1
doc/Section_packages.txt
View File

@ -117,6 +117,7 @@ USER-COLVARS, collective variables, Fiorin & Henin & Kohlmeyer (3), "fix colvars
USER-CUDA, NVIDIA GPU styles, Christian Trott (U Tech Ilmenau), "Section accelerate"_Section_accelerate.html#acc_7, USER/cuda, -, lib/cuda USER-CUDA, NVIDIA GPU styles, Christian Trott (U Tech Ilmenau), "Section accelerate"_Section_accelerate.html#acc_7, 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-EFF, electron force field, Andres Jaramillo-Botero (Caltech), "pair_style eff/cut"_pair_eff.html, USER/eff, "eff"_eff, -
USER-FEP, free energy perturbation, Agilio Padua (U Blaise Pascal Clermont-Ferrand), "fix adapt/fep"_fix_adapt.html, USER/fep, -, - USER-FEP, free energy perturbation, Agilio Padua (U Blaise Pascal Clermont-Ferrand), "fix adapt/fep"_fix_adapt.html, USER/fep, -, -
USER-INTEL, Vectorized CPU and Intel coprocessor styles, W. Michael Brown (Intel), "Section accelerate"_Section_accelerate.html#acc_9, examples/intel, -, -
USER-LB, Lattice Boltzmann fluid, Colin Denniston (U Western Ontario), "fix lb/fluid"_fix_lb_fluid.html, USER/lb, -, - USER-LB, Lattice Boltzmann fluid, Colin Denniston (U Western Ontario), "fix lb/fluid"_fix_lb_fluid.html, USER/lb, -, -
USER-MISC, single-file contributions, USER-MISC/README, USER-MISC/README, -, -, - USER-MISC, single-file contributions, USER-MISC/README, USER-MISC/README, -, -, -
USER-MOLFILE, "VMD"_VMD molfile plug-ins, Axel Kohlmeyer (Temple U), "dump molfile"_dump_molfile.html, -, -, VMD-MOLFILE USER-MOLFILE, "VMD"_VMD molfile plug-ins, Axel Kohlmeyer (Temple U), "dump molfile"_dump_molfile.html, -, -, VMD-MOLFILE

43
doc/Section_start.html
View File

@ -1468,23 +1468,24 @@ partition screen files file.N.
<PRE>-suffix style args <PRE>-suffix style args
</PRE> </PRE>
<P>Use variants of various styles if they exist. The specified style can <P>Use variants of various styles if they exist. The specified style can
be <I>cuda</I>, <I>gpu</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I>. These refer to optional be <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I>. These refer to
packages that LAMMPS can be built with, as described above in <A HREF = "#start_3">Section optional packages that LAMMPS can be built with, as described above in
2.3</A>. The "cuda" style corresponds to the USER-CUDA package, <A HREF = "#start_3">Section 2.3</A>. The "cuda" style corresponds to the USER-CUDA
the "gpu" style to the GPU package, the "kk" style to the KOKKOS package, the "gpu" style to the GPU package, the "intel" style to the
pacakge, the "opt" style to the OPT package, and the "omp" style to USER-INTEL package, the "kk" style to the KOKKOS package, the "opt"
the USER-OMP package. style to the OPT package, and the "omp" style to the USER-OMP package.
</P> </P>
<P>As an example, all of the packages provide a <A HREF = "pair_lj.html">pair_style <P>As an example, all of the packages provide a <A HREF = "pair_lj.html">pair_style
lj/cut</A> variant, with style names lj/cut/cuda, lj/cut</A> variant, with style names lj/cut/cuda,
lj/cut/gpu, lj/cut/kk, lj/cut/omp, or lj/cut/opt. A variant styles lj/cut/gpu, lj/cut/intel, lj/cut/kk, lj/cut/omp, or lj/cut/opt. A
can be specified explicitly in your input script, e.g. pair_style variant styles can be specified explicitly in your input script,
lj/cut/gpu. If the -suffix switch is used, you do not need to modify e.g. pair_style lj/cut/gpu. If the -suffix switch is used, you do not
your input script. The specified suffix (cuda,gpu,kk,omp,opt) is need to modify your input script. The specified suffix
automatically appended whenever your input script command creates a (cuda,gpu,intel,kk,omp,opt) is automatically appended whenever your
new <A HREF = "atom_style.html">atom</A>, <A HREF = "pair_style.html">pair</A>, <A HREF = "fix.html">fix</A>, input script command creates a new <A HREF = "atom_style.html">atom</A>,
<A HREF = "compute.html">compute</A>, or <A HREF = "run_style.html">run</A> style. If the variant <A HREF = "pair_style.html">pair</A>, <A HREF = "fix.html">fix</A>, <A HREF = "compute.html">compute</A>, or
version does not exist, the standard version is created. <A HREF = "run_style.html">run</A> style. If the variant version does not exist,
the standard version is created.
</P> </P>
<P>For the GPU package, using this command-line switch also invokes the <P>For the GPU package, using this command-line switch also invokes the
default GPU settings, as if the command "package gpu force/neigh 0 0 default GPU settings, as if the command "package gpu force/neigh 0 0
@ -1492,6 +1493,14 @@ default GPU settings, as if the command "package gpu force/neigh 0 0
changed by using the <A HREF = "package.html">package gpu</A> command in your script changed by using the <A HREF = "package.html">package gpu</A> command in your script
if desired. if desired.
</P> </P>
<P>For the Intel package, using this command-line switch also invokes the
default Intel settings, as if the command "package intel * mixed
balance -1" were used at the top of your input script. These settings
can be changed by using the <A HREF = "package.html">package intel</A> command in
your script if desired. If the USER-OMP package is installed, the
intel suffix will make the omp suffix a second choice, if a requested
style is not available in the USER-INTEL package.
</P>
<P>For the KOKKOS package, using this command-line switch also invokes <P>For the KOKKOS package, using this command-line switch also invokes
the default KOKKOS settings, as if the command "package kokkos neigh the default KOKKOS settings, as if the command "package kokkos neigh
full comm/exchange host comm/forward host " were used at the top of full comm/exchange host comm/forward host " were used at the top of
@ -1503,9 +1512,9 @@ default OMP settings, as if the command "package omp *" were used at
the top of your input script. These settings can be changed by using the top of your input script. These settings can be changed by using
the <A HREF = "package.html">package omp</A> command in your script if desired. the <A HREF = "package.html">package omp</A> command in your script if desired.
</P> </P>
<P>The <A HREF = "suffix.html">suffix</A> command can also be used set a suffix and it <P>The <A HREF = "suffix.html">suffix</A> command can also be used to set a suffix and
can also turn off or back on any suffix setting made via the command it can also turn off or back on any suffix setting made via the
line. command line.
</P> </P>
<PRE>-var name value1 value2 ... <PRE>-var name value1 value2 ...
</PRE> </PRE>

43
doc/Section_start.txt
View File

@ -1462,23 +1462,24 @@ partition screen files file.N.
-suffix style args :pre -suffix style args :pre
Use variants of various styles if they exist. The specified style can Use variants of various styles if they exist. The specified style can
be {cuda}, {gpu}, {kk}, {omp}, or {opt}. These refer to optional be {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt}. These refer to
packages that LAMMPS can be built with, as described above in "Section optional packages that LAMMPS can be built with, as described above in
2.3"_#start_3. The "cuda" style corresponds to the USER-CUDA package, "Section 2.3"_#start_3. The "cuda" style corresponds to the USER-CUDA
the "gpu" style to the GPU package, the "kk" style to the KOKKOS package, the "gpu" style to the GPU package, the "intel" style to the
pacakge, the "opt" style to the OPT package, and the "omp" style to USER-INTEL package, the "kk" style to the KOKKOS package, the "opt"
the USER-OMP package. style to the OPT package, and the "omp" style to the USER-OMP package.
As an example, all of the packages provide a "pair_style As an example, all of the packages provide a "pair_style
lj/cut"_pair_lj.html variant, with style names lj/cut/cuda, lj/cut"_pair_lj.html variant, with style names lj/cut/cuda,
lj/cut/gpu, lj/cut/kk, lj/cut/omp, or lj/cut/opt. A variant styles lj/cut/gpu, lj/cut/intel, lj/cut/kk, lj/cut/omp, or lj/cut/opt. A
can be specified explicitly in your input script, e.g. pair_style variant styles can be specified explicitly in your input script,
lj/cut/gpu. If the -suffix switch is used, you do not need to modify e.g. pair_style lj/cut/gpu. If the -suffix switch is used, you do not
your input script. The specified suffix (cuda,gpu,kk,omp,opt) is need to modify your input script. The specified suffix
automatically appended whenever your input script command creates a (cuda,gpu,intel,kk,omp,opt) is automatically appended whenever your
new "atom"_atom_style.html, "pair"_pair_style.html, "fix"_fix.html, input script command creates a new "atom"_atom_style.html,
"compute"_compute.html, or "run"_run_style.html style. If the variant "pair"_pair_style.html, "fix"_fix.html, "compute"_compute.html, or
version does not exist, the standard version is created. "run"_run_style.html style. If the variant version does not exist,
the standard version is created.
For the GPU package, using this command-line switch also invokes the For the GPU package, using this command-line switch also invokes the
default GPU settings, as if the command "package gpu force/neigh 0 0 default GPU settings, as if the command "package gpu force/neigh 0 0
@ -1486,6 +1487,14 @@ default GPU settings, as if the command "package gpu force/neigh 0 0
changed by using the "package gpu"_package.html command in your script changed by using the "package gpu"_package.html command in your script
if desired. if desired.
For the Intel package, using this command-line switch also invokes the
default Intel settings, as if the command "package intel * mixed
balance -1" were used at the top of your input script. These settings
can be changed by using the "package intel"_package.html command in
your script if desired. If the USER-OMP package is installed, the
intel suffix will make the omp suffix a second choice, if a requested
style is not available in the USER-INTEL package.
For the KOKKOS package, using this command-line switch also invokes For the KOKKOS package, using this command-line switch also invokes
the default KOKKOS settings, as if the command "package kokkos neigh the default KOKKOS settings, as if the command "package kokkos neigh
full comm/exchange host comm/forward host " were used at the top of full comm/exchange host comm/forward host " were used at the top of
@ -1497,9 +1506,9 @@ default OMP settings, as if the command "package omp *" were used at
the top of your input script. These settings can be changed by using the top of your input script. These settings can be changed by using
the "package omp"_package.html command in your script if desired. the "package omp"_package.html command in your script if desired.
The "suffix"_suffix.html command can also be used set a suffix and it The "suffix"_suffix.html command can also be used to set a suffix and
can also turn off or back on any suffix setting made via the command it can also turn off or back on any suffix setting made via the
line. command line.
-var name value1 value2 ... :pre -var name value1 value2 ... :pre

21
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View File

@ -50,17 +50,18 @@ internally; hence the units of K are in energy/radian^2.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_charmm.txt
View File

@ -46,17 +46,18 @@ internally; hence the units of K are in energy/radian^2.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/angle_class2.html
View File

@ -82,17 +82,18 @@ same value from the Ea formula.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_class2.txt
View File

@ -78,17 +78,18 @@ same value from the Ea formula.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/angle_cosine.html
View File

@ -39,17 +39,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_cosine.txt
View File

@ -35,17 +35,18 @@ K (energy) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/angle_cosine_delta.html
View File

@ -44,17 +44,18 @@ internally.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_cosine_delta.txt
View File

@ -40,17 +40,18 @@ internally.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/angle_cosine_periodic.html
View File

@ -52,17 +52,18 @@ geometry.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_cosine_periodic.txt
View File

@ -48,17 +48,18 @@ geometry.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/angle_cosine_shift.html
View File

@ -42,17 +42,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_cosine_shift.txt
View File

@ -38,17 +38,18 @@ theta (angle) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/angle_cosine_shift_exp.html
View File

@ -54,17 +54,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_cosine_shift_exp.txt
View File

@ -50,17 +50,18 @@ A (real number) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/angle_cosine_squared.html
View File

@ -44,17 +44,18 @@ internally.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_cosine_squared.txt
View File

@ -40,17 +40,18 @@ internally.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/angle_dipole.html
View File

@ -68,17 +68,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line

21
doc/angle_dipole.txt
View File

@ -64,17 +64,18 @@ gamma0 (degrees) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/angle_fourier.html
View File

@ -40,17 +40,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_fourier.txt
View File

@ -36,17 +36,18 @@ C2 (real) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/angle_fourier_simple.html
View File

@ -39,17 +39,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_fourier_simple.txt
View File

@ -35,17 +35,18 @@ n (real) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
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@ -44,17 +44,18 @@ internally; hence the units of K are in energy/radian^2.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
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View File

@ -40,17 +40,18 @@ internally; hence the units of K are in energy/radian^2.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
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@ -46,17 +46,18 @@ internally; hence the units of K are in energy/radian^2.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_quartic.txt
View File

@ -42,17 +42,18 @@ internally; hence the units of K are in energy/radian^2.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
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View File

@ -125,17 +125,18 @@ one that matches the specified keyword.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/angle_table.txt
View File

@ -121,17 +121,18 @@ one that matches the specified keyword.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
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View File

@ -44,17 +44,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/bond_class2.txt
View File

@ -40,17 +40,18 @@ K4 (energy/distance^4) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/bond_fene.html
View File

@ -46,17 +46,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/bond_fene.txt
View File

@ -42,17 +42,18 @@ sigma (distance) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
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View File

@ -51,17 +51,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/bond_fene_expand.txt
View File

@ -47,17 +47,18 @@ delta (distance) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
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View File

@ -41,17 +41,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/bond_harmonic.txt
View File

@ -37,17 +37,18 @@ r0 (distance) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
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View File

@ -46,17 +46,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
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View File

@ -40,17 +40,18 @@ rc (distance) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/bond_harmonic_shift_cut.html
View File

@ -44,17 +44,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/bond_harmonic_shift_cut.txt
View File

@ -40,17 +40,18 @@ rc (distance) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/bond_morse.html
View File

@ -42,17 +42,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/bond_morse.txt
View File

@ -38,17 +38,18 @@ r0 (distance) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/bond_nonlinear.html
View File

@ -42,17 +42,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/bond_nonlinear.txt
View File

@ -38,17 +38,18 @@ lamda (distance) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/bond_quartic.html
View File

@ -77,17 +77,18 @@ delete_bonds all bond 0 remove
</PRE> </PRE>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/bond_quartic.txt
View File

@ -73,17 +73,18 @@ delete_bonds all bond 0 remove :pre
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/bond_table.html
View File

@ -122,17 +122,18 @@ one that matches the specified keyword.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/bond_table.txt
View File

@ -118,17 +118,18 @@ one that matches the specified keyword.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
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View File

@ -71,17 +71,18 @@ need any 1-4 information.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/dihedral_charmm.txt
View File

@ -67,17 +67,18 @@ need any 1-4 information.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/dihedral_class2.html
View File

@ -141,17 +141,18 @@ listed under a "BondBond13 Coeffs" heading and you must leave out the
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/dihedral_class2.txt
View File

@ -137,17 +137,18 @@ r3 (distance) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/dihedral_cosine_shift_exp.html
View File

@ -53,17 +53,18 @@ commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/dihedral_cosine_shift_exp.txt
View File

@ -49,17 +49,18 @@ A (real number) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/dihedral_fourier.html
View File

@ -44,17 +44,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/dihedral_fourier.txt
View File

@ -40,17 +40,18 @@ dm (degrees) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/dihedral_harmonic.html
View File

@ -52,17 +52,18 @@ in some force fields trans = 0 degrees.
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/dihedral_harmonic.txt
View File

@ -48,17 +48,18 @@ Some force fields let {n} be positive or negative which corresponds to
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/dihedral_helix.html
View File

@ -47,17 +47,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/dihedral_helix.txt
View File

@ -43,17 +43,18 @@ C (energy) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/dihedral_multi_harmonic.html
View File

@ -41,17 +41,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/dihedral_multi_harmonic.txt
View File

@ -37,17 +37,18 @@ A5 (energy) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/dihedral_nharmonic.html
View File

@ -41,17 +41,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/dihedral_nharmonic.txt
View File

@ -37,17 +37,18 @@ An (energy) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/dihedral_opls.html
View File

@ -45,17 +45,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/dihedral_opls.txt
View File

@ -41,17 +41,18 @@ K4 (energy) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

19
doc/dihedral_quadratic.html
View File

@ -42,16 +42,17 @@ commands:
</UL> </UL>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
OPT packages, respectively. They are only enabled if LAMMPS was built KOKKOS, USER-OMP and OPT packages, respectively. They are only
with those packages. See the <A HREF = "Section_start.html#start_3">Making enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
LAMMPS</A> section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script

19
doc/dihedral_quadratic.txt
View File

@ -38,16 +38,17 @@ phi0 (degrees) :ul
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
OPT packages, respectively. They are only enabled if LAMMPS was built KOKKOS, USER-OMP and OPT packages, respectively. They are only
with those packages. See the "Making enabled if LAMMPS was built with those packages. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script

21
doc/dihedral_table.html
View File

@ -175,17 +175,18 @@ that matches the specified keyword.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line

21
doc/dihedral_table.txt
View File

@ -171,17 +171,18 @@ that matches the specified keyword.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/fix_gravity.html
View File

@ -99,17 +99,18 @@ field.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/fix_gravity.txt
View File

@ -88,17 +88,18 @@ field.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/fix_nh.html
View File

@ -460,17 +460,18 @@ the various ways to do this.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/fix_nh.txt
View File

@ -448,17 +448,18 @@ the various ways to do this.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/fix_nph_asphere.html
View File

@ -82,17 +82,18 @@ It also means that changing attributes of <I>thermo_temp</I> or
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/fix_nph_asphere.txt
View File

@ -78,17 +78,18 @@ It also means that changing attributes of {thermo_temp} or
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/fix_nph_sphere.html
View File

@ -82,17 +82,18 @@ It also means that changing attributes of <I>thermo_temp</I> or
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/fix_nph_sphere.txt
View File

@ -78,17 +78,18 @@ It also means that changing attributes of {thermo_temp} or
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/fix_nphug.html
View File

@ -144,17 +144,18 @@ It also means that changing attributes of <I>thermo_temp</I> or
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/fix_nphug.txt
View File

@ -138,17 +138,18 @@ It also means that changing attributes of {thermo_temp} or
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/fix_npt_asphere.html
View File

@ -106,17 +106,18 @@ thermal degrees of freedom, and the bias is added back in.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/fix_npt_asphere.txt
View File

@ -102,17 +102,18 @@ thermal degrees of freedom, and the bias is added back in.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

21
doc/fix_npt_sphere.html
View File

@ -105,17 +105,18 @@ thermal degrees of freedom, and the bias is added back in.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. should produce the same results, except for round-off and precision
issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

21
doc/fix_npt_sphere.txt
View File

@ -101,17 +101,18 @@ thermal degrees of freedom, and the bias is added back in.
:line :line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
the same as the corresponding style without the suffix. They have functionally the same as the corresponding style without the suffix.
been optimized to run faster, depending on your available hardware, as They have been optimized to run faster, depending on your available
discussed in "Section_accelerate"_Section_accelerate.html of the hardware, as discussed in "Section_accelerate"_Section_accelerate.html
manual. The accelerated styles take the same arguments and should of the manual. The accelerated styles take the same arguments and
produce the same results, except for round-off and precision issues. 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 These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
packages, respectively. They are only enabled if LAMMPS was built with KOKKOS, USER-OMP and OPT packages, respectively. They are only
those packages. See the "Making LAMMPS"_Section_start.html#start_3 enabled if LAMMPS was built with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line

8
doc/fix_nve.html
View File

@ -37,7 +37,7 @@ ensemble.
</P> </P>
<HR> <HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are <P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
functionally the same as the corresponding style without the suffix. functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available They have been optimized to run faster, depending on your available
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
@ -45,9 +45,9 @@ of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision should produce the same results, except for round-off and precision
issues. issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, KOKKOS, <P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
USER-OMP and OPT packages, respectively. They are only enabled if KOKKOS, USER-OMP and OPT packages, respectively. They are only
LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
LAMMPS</A> section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script

8
doc/fix_nve.txt
View File

@ -31,7 +31,7 @@ ensemble.
:line :line
Styles with a {cuda}, {gpu}, {kk}, {omp}, or {opt} suffix are Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
functionally the same as the corresponding style without the suffix. functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available They have been optimized to run faster, depending on your available
hardware, as discussed in "Section_accelerate"_Section_accelerate.html hardware, as discussed in "Section_accelerate"_Section_accelerate.html
@ -39,9 +39,9 @@ of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision should produce the same results, except for round-off and precision
issues. issues.
These accelerated styles are part of the USER-CUDA, GPU, KOKKOS, These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
USER-OMP and OPT packages, respectively. They are only enabled if KOKKOS, USER-OMP and OPT packages, respectively. They are only
LAMMPS was built with those packages. See the "Making enabled if LAMMPS was built with those packages. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script

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