Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts: doc/Manual.html doc/Manual.txt doc/package.txt src/Depend.sh
This commit is contained in:
Axel Kohlmeyer
@ -1,7 +1,7 @@
|
||||
<HTML>
|
||||
<HEAD>
|
||||
<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="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
|
||||
</HEAD>
|
||||
@ -22,7 +22,7 @@
|
||||
|
||||
<CENTER><H3>LAMMPS-ICMS Documentation
|
||||
</H3></CENTER>
|
||||
<CENTER><H4>8 Aug 2014 version
|
||||
<CENTER><H4>14 Aug 2014 version
|
||||
</H4></CENTER>
|
||||
<H4>Version info:
|
||||
</H4>
|
||||
@ -166,7 +166,9 @@ it gives quick access to documentation for all LAMMPS commands.
|
||||
<BR>
|
||||
5.8 <A HREF = "Section_accelerate.html#acc_8">KOKKOS package</A>
|
||||
<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>
|
||||
<LI><A HREF = "Section_howto.html">How-to discussions</A>
|
||||
|
||||
|
||||
@ -1,6 +1,6 @@
|
||||
<HEAD>
|
||||
<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="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
|
||||
</HEAD>
|
||||
@ -18,7 +18,7 @@
|
||||
<H1></H1>
|
||||
|
||||
LAMMPS-ICMS Documentation :c,h3
|
||||
8 Aug 2014 version :c,h4
|
||||
14 Aug 2014 version :c,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
|
||||
5.7 "USER-CUDA package"_acc_7 :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
|
||||
6.1 "Restarting a simulation"_howto_1 :ulb,b
|
||||
6.2 "2d simulations"_howto_2 :b
|
||||
|
||||
@ -25,7 +25,8 @@ kinds of machines.
|
||||
5.6 <A HREF = "#acc_6">GPU package</A><BR>
|
||||
5.7 <A HREF = "#acc_7">USER-CUDA package</A><BR>
|
||||
5.8 <A HREF = "#acc_8">KOKKOS package</A><BR>
|
||||
5.9 <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>
|
||||
|
||||
@ -152,6 +153,7 @@ Lennard-Jones pair style <A HREF = "pair_lj.html">pair_style lj/cut</A>:
|
||||
</P>
|
||||
<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/intel</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/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
|
||||
discussed below.
|
||||
</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
|
||||
run using OpenMP, pthreads, or on an NVIDIA GPU. The speed-up depends
|
||||
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
|
||||
make machine
|
||||
</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
|
||||
exist as an OpenMP version in the USER-OMP package you can run
|
||||
it as follows:
|
||||
@ -972,9 +973,167 @@ LAMMPS.
|
||||
</P>
|
||||
<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>
|
||||
|
||||
<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>
|
||||
<P>Both the GPU and USER-CUDA packages accelerate a LAMMPS calculation
|
||||
using NVIDIA hardware, but they do it in different ways.
|
||||
|
||||
@ -22,7 +22,8 @@ kinds of machines.
|
||||
5.6 "GPU package"_#acc_6
|
||||
5.7 "USER-CUDA package"_#acc_7
|
||||
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
|
||||
@ -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/gpu"_pair_lj.html
|
||||
"pair_style lj/cut/intel"_pair_lj.html
|
||||
"pair_style lj/cut/kk"_pair_lj.html
|
||||
"pair_style lj/cut/omp"_pair_lj.html
|
||||
"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
|
||||
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
|
||||
run using OpenMP, pthreads, or on an NVIDIA GPU. The speed-up depends
|
||||
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 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
|
||||
exist as an OpenMP version in the USER-OMP package you can run
|
||||
it as follows:
|
||||
@ -970,9 +971,168 @@ hope to support this in the future, similar to the GPU package in
|
||||
LAMMPS.
|
||||
|
||||
: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
|
||||
|
||||
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
|
||||
using NVIDIA hardware, but they do it in different ways.
|
||||
|
||||
@ -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/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_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_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_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_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/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_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_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/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_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/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/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/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_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.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_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_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_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/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/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_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/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/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/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/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/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/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_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_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/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>
|
||||
|
||||
@ -942,6 +942,7 @@ package"_Section_accelerate.html.
|
||||
"gauss/gpu"_pair_gauss.html,
|
||||
"gauss/omp"_pair_gauss.html,
|
||||
"gayberne/gpu"_pair_gayberne.html,
|
||||
"gayberne/intel"_pair_gayberne.html,
|
||||
"gayberne/omp"_pair_gayberne.html,
|
||||
"gran/hertz/history/omp"_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/long/cuda"_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/soft"_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/long/cuda"_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/opt"_pair_lj.html,
|
||||
"lj/cut/coul/msm/gpu"_pair_lj.html,
|
||||
"lj/cut/coul/msm/opt"_pair_lj.html,
|
||||
"lj/cut/coul/long/soft/omp"_pair_lj_soft.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/omp"_pair_dipole.html,
|
||||
"lj/cut/dipole/sf/gpu"_pair_dipole.html,
|
||||
"lj/cut/dipole/sf/omp"_pair_dipole.html,
|
||||
"lj/cut/experimental/cuda"_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/opt"_pair_lj.html,
|
||||
"lj/cut/soft/omp"_pair_lj_soft.html,
|
||||
|
||||
@ -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 >hugoniostat</TD><TD > Hugoniostat shock dynamics</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 >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>
|
||||
|
||||
@ -55,6 +55,7 @@ friction: frictional contact of spherical asperities between 2d surfaces
|
||||
gpu: use of the GPU package for GPU acceleration
|
||||
hugoniostat: Hugoniostat shock dynamics
|
||||
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)
|
||||
line: line segment particles in 2d rigid bodies
|
||||
meam: MEAM test for SiC and shear (same as shear examples)
|
||||
|
||||
@ -109,7 +109,7 @@ it to LAMMPS.
|
||||
<LI> open-source distribution
|
||||
<LI> highly portable C++
|
||||
<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> runs from an input script
|
||||
<LI> syntax for defining and using variables and formulas
|
||||
|
||||
@ -105,7 +105,7 @@ General features :h4
|
||||
open-source distribution
|
||||
highly portable C++
|
||||
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
|
||||
runs from an input script
|
||||
syntax for defining and using variables and formulas
|
||||
|
||||
@ -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-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-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-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>
|
||||
|
||||
@ -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-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-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-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
|
||||
|
||||
@ -1468,23 +1468,24 @@ partition screen files file.N.
|
||||
<PRE>-suffix style args
|
||||
</PRE>
|
||||
<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
|
||||
packages that LAMMPS can be built with, as described above in <A HREF = "#start_3">Section
|
||||
2.3</A>. The "cuda" style corresponds to the USER-CUDA package,
|
||||
the "gpu" style to the GPU package, the "kk" style to the KOKKOS
|
||||
pacakge, the "opt" style to the OPT package, and the "omp" style to
|
||||
the USER-OMP package.
|
||||
be <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I>. These refer to
|
||||
optional packages that LAMMPS can be built with, as described above in
|
||||
<A HREF = "#start_3">Section 2.3</A>. The "cuda" style corresponds to the USER-CUDA
|
||||
package, the "gpu" style to the GPU package, the "intel" style to the
|
||||
USER-INTEL package, the "kk" style to the KOKKOS package, the "opt"
|
||||
style to the OPT package, and the "omp" style to the USER-OMP package.
|
||||
</P>
|
||||
<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/gpu, lj/cut/kk, lj/cut/omp, or lj/cut/opt. A variant styles
|
||||
can be specified explicitly in your input script, e.g. pair_style
|
||||
lj/cut/gpu. If the -suffix switch is used, you do not need to modify
|
||||
your input script. The specified suffix (cuda,gpu,kk,omp,opt) is
|
||||
automatically appended whenever your input script command creates a
|
||||
new <A HREF = "atom_style.html">atom</A>, <A HREF = "pair_style.html">pair</A>, <A HREF = "fix.html">fix</A>,
|
||||
<A HREF = "compute.html">compute</A>, or <A HREF = "run_style.html">run</A> style. If the variant
|
||||
version does not exist, the standard version is created.
|
||||
lj/cut/gpu, lj/cut/intel, lj/cut/kk, lj/cut/omp, or lj/cut/opt. A
|
||||
variant styles can be specified explicitly in your input script,
|
||||
e.g. pair_style lj/cut/gpu. If the -suffix switch is used, you do not
|
||||
need to modify your input script. The specified suffix
|
||||
(cuda,gpu,intel,kk,omp,opt) is automatically appended whenever your
|
||||
input script command creates a new <A HREF = "atom_style.html">atom</A>,
|
||||
<A HREF = "pair_style.html">pair</A>, <A HREF = "fix.html">fix</A>, <A HREF = "compute.html">compute</A>, or
|
||||
<A HREF = "run_style.html">run</A> style. If the variant version does not exist,
|
||||
the standard version is created.
|
||||
</P>
|
||||
<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
|
||||
@ -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
|
||||
if desired.
|
||||
</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
|
||||
the default KOKKOS settings, as if the command "package kokkos neigh
|
||||
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 <A HREF = "package.html">package omp</A> command in your script if desired.
|
||||
</P>
|
||||
<P>The <A HREF = "suffix.html">suffix</A> command can also be used set a suffix and it
|
||||
can also turn off or back on any suffix setting made via the command
|
||||
line.
|
||||
<P>The <A HREF = "suffix.html">suffix</A> command can also be used to set a suffix and
|
||||
it can also turn off or back on any suffix setting made via the
|
||||
command line.
|
||||
</P>
|
||||
<PRE>-var name value1 value2 ...
|
||||
</PRE>
|
||||
|
||||
@ -1462,23 +1462,24 @@ partition screen files file.N.
|
||||
-suffix style args :pre
|
||||
|
||||
Use variants of various styles if they exist. The specified style can
|
||||
be {cuda}, {gpu}, {kk}, {omp}, or {opt}. These refer to optional
|
||||
packages that LAMMPS can be built with, as described above in "Section
|
||||
2.3"_#start_3. The "cuda" style corresponds to the USER-CUDA package,
|
||||
the "gpu" style to the GPU package, the "kk" style to the KOKKOS
|
||||
pacakge, the "opt" style to the OPT package, and the "omp" style to
|
||||
the USER-OMP package.
|
||||
be {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt}. These refer to
|
||||
optional packages that LAMMPS can be built with, as described above in
|
||||
"Section 2.3"_#start_3. The "cuda" style corresponds to the USER-CUDA
|
||||
package, the "gpu" style to the GPU package, the "intel" style to the
|
||||
USER-INTEL package, the "kk" style to the KOKKOS package, the "opt"
|
||||
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
|
||||
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
|
||||
can be specified explicitly in your input script, e.g. pair_style
|
||||
lj/cut/gpu. If the -suffix switch is used, you do not need to modify
|
||||
your input script. The specified suffix (cuda,gpu,kk,omp,opt) is
|
||||
automatically appended whenever your input script command creates a
|
||||
new "atom"_atom_style.html, "pair"_pair_style.html, "fix"_fix.html,
|
||||
"compute"_compute.html, or "run"_run_style.html style. If the variant
|
||||
version does not exist, the standard version is created.
|
||||
lj/cut/gpu, lj/cut/intel, lj/cut/kk, lj/cut/omp, or lj/cut/opt. A
|
||||
variant styles can be specified explicitly in your input script,
|
||||
e.g. pair_style lj/cut/gpu. If the -suffix switch is used, you do not
|
||||
need to modify your input script. The specified suffix
|
||||
(cuda,gpu,intel,kk,omp,opt) is automatically appended whenever your
|
||||
input script command creates a new "atom"_atom_style.html,
|
||||
"pair"_pair_style.html, "fix"_fix.html, "compute"_compute.html, or
|
||||
"run"_run_style.html style. If the variant version does not exist,
|
||||
the standard version is created.
|
||||
|
||||
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
|
||||
@ -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
|
||||
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
|
||||
the default KOKKOS settings, as if the command "package kokkos neigh
|
||||
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 "package omp"_package.html command in your script if desired.
|
||||
|
||||
The "suffix"_suffix.html command can also be used set a suffix and it
|
||||
can also turn off or back on any suffix setting made via the command
|
||||
line.
|
||||
The "suffix"_suffix.html command can also be used to set a suffix and
|
||||
it can also turn off or back on any suffix setting made via the
|
||||
command line.
|
||||
|
||||
-var name value1 value2 ... :pre
|
||||
|
||||
|
||||
@ -50,17 +50,18 @@ internally; hence the units of K are in energy/radian^2.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -46,17 +46,18 @@ internally; hence the units of K are in energy/radian^2.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -82,17 +82,18 @@ same value from the Ea formula.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -78,17 +78,18 @@ same value from the Ea formula.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -39,17 +39,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -35,17 +35,18 @@ K (energy) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -44,17 +44,18 @@ internally.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -40,17 +40,18 @@ internally.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -52,17 +52,18 @@ geometry.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -48,17 +48,18 @@ geometry.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -42,17 +42,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -38,17 +38,18 @@ theta (angle) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -54,17 +54,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -50,17 +50,18 @@ A (real number) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -44,17 +44,18 @@ internally.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -40,17 +40,18 @@ internally.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -68,17 +68,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -64,17 +64,18 @@ gamma0 (degrees) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -40,17 +40,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -36,17 +36,18 @@ C2 (real) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -39,17 +39,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -35,17 +35,18 @@ n (real) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -44,17 +44,18 @@ internally; hence the units of K are in energy/radian^2.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -40,17 +40,18 @@ internally; hence the units of K are in energy/radian^2.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -46,17 +46,18 @@ internally; hence the units of K are in energy/radian^2.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -42,17 +42,18 @@ internally; hence the units of K are in energy/radian^2.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -125,17 +125,18 @@ one that matches the specified keyword.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -121,17 +121,18 @@ one that matches the specified keyword.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -44,17 +44,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -40,17 +40,18 @@ K4 (energy/distance^4) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -46,17 +46,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -42,17 +42,18 @@ sigma (distance) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -51,17 +51,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -47,17 +47,18 @@ delta (distance) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -41,17 +41,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -37,17 +37,18 @@ r0 (distance) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -46,17 +46,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -40,17 +40,18 @@ rc (distance) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -44,17 +44,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -40,17 +40,18 @@ rc (distance) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -42,17 +42,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -38,17 +38,18 @@ r0 (distance) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -42,17 +42,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -38,17 +38,18 @@ lamda (distance) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -77,17 +77,18 @@ delete_bonds all bond 0 remove
|
||||
</PRE>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -73,17 +73,18 @@ delete_bonds all bond 0 remove :pre
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -122,17 +122,18 @@ one that matches the specified keyword.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -118,17 +118,18 @@ one that matches the specified keyword.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -71,17 +71,18 @@ need any 1-4 information.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -67,17 +67,18 @@ need any 1-4 information.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -141,17 +141,18 @@ listed under a "BondBond13 Coeffs" heading and you must leave out the
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -137,17 +137,18 @@ r3 (distance) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -53,17 +53,18 @@ commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -49,17 +49,18 @@ A (real number) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -44,17 +44,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -40,17 +40,18 @@ dm (degrees) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -52,17 +52,18 @@ in some force fields trans = 0 degrees.
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -48,17 +48,18 @@ Some force fields let {n} be positive or negative which corresponds to
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -47,17 +47,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -43,17 +43,18 @@ C (energy) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -41,17 +41,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -37,17 +37,18 @@ A5 (energy) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -41,17 +41,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -37,17 +37,18 @@ An (energy) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -45,17 +45,18 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -41,17 +41,18 @@ K4 (energy) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -42,16 +42,17 @@ commands:
|
||||
</UL>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and
|
||||
OPT packages, respectively. They are only enabled if LAMMPS was built
|
||||
with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P>You can specify the accelerated styles explicitly in your input script
|
||||
|
||||
@ -38,16 +38,17 @@ phi0 (degrees) :ul
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and
|
||||
OPT packages, respectively. They are only enabled if LAMMPS was built
|
||||
with those packages. See the "Making
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
|
||||
@ -175,17 +175,18 @@ that matches the specified keyword.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -171,17 +171,18 @@ that matches the specified keyword.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -99,17 +99,18 @@ field.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -88,17 +88,18 @@ field.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -460,17 +460,18 @@ the various ways to do this.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -448,17 +448,18 @@ the various ways to do this.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -82,17 +82,18 @@ It also means that changing attributes of <I>thermo_temp</I> or
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -78,17 +78,18 @@ It also means that changing attributes of {thermo_temp} or
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -82,17 +82,18 @@ It also means that changing attributes of <I>thermo_temp</I> or
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -78,17 +78,18 @@ It also means that changing attributes of {thermo_temp} or
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -144,17 +144,18 @@ It also means that changing attributes of <I>thermo_temp</I> or
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -138,17 +138,18 @@ It also means that changing attributes of {thermo_temp} or
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -106,17 +106,18 @@ thermal degrees of freedom, and the bias is added back in.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -102,17 +102,18 @@ thermal degrees of freedom, and the bias is added back in.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -105,17 +105,18 @@ thermal degrees of freedom, and the bias is added back in.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<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
|
||||
|
||||
@ -101,17 +101,18 @@ thermal degrees of freedom, and the bias is added back in.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
|
||||
the same as the corresponding style without the suffix. They have
|
||||
been optimized to run faster, depending on your available hardware, as
|
||||
discussed in "Section_accelerate"_Section_accelerate.html of the
|
||||
manual. The accelerated styles take the same arguments and should
|
||||
produce the same results, except for round-off and precision issues.
|
||||
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
||||
functionally the same as the corresponding style without the suffix.
|
||||
They have been optimized to run faster, depending on your available
|
||||
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
||||
of the manual. The accelerated styles take the same arguments and
|
||||
should produce the same results, except for round-off and precision
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
||||
@ -37,7 +37,7 @@ ensemble.
|
||||
</P>
|
||||
<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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
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
|
||||
issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, KOKKOS,
|
||||
USER-OMP and OPT packages, respectively. They are only enabled if
|
||||
LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P>You can specify the accelerated styles explicitly in your input script
|
||||
|
||||
@ -31,7 +31,7 @@ ensemble.
|
||||
|
||||
: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.
|
||||
They have been optimized to run faster, depending on your available
|
||||
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
|
||||
issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, KOKKOS,
|
||||
USER-OMP and OPT packages, respectively. They are only enabled if
|
||||
LAMMPS was built with those packages. See the "Making
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
||||
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
||||
enabled if LAMMPS was built with those packages. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
|
||||
Some files were not shown because too many files have changed in this diff Show More
Reference in New Issue
Block a user