git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12343 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2014-08-25 14:48:45 +00:00
parent 05c3613356
commit fbbbb73d9b
14 changed files with 78 additions and 46 deletions

View File

@ -176,8 +176,8 @@ discussed below.
package. These styles support vectorized single and mixed precision package. These styles support vectorized single and mixed precision
calculations, in addition to full double precision. In extreme cases, calculations, in addition to full double precision. In extreme cases,
this can provide speedups over 3.5x on CPUs. The package also this can provide speedups over 3.5x on CPUs. The package also
supports acceleration with offload to Intel corprocessors (Xeon supports acceleration with offload to Intel(R) Xeon Phi(TM) coprocessors.
Phi). This can result in additional speedup over 2x depending on the This can result in additional speedup over 2x depending on the
hardware configuration. hardware configuration.
</P> </P>
<P>Styles with a "kk" suffix are part of the KOKKOS package, and can be <P>Styles with a "kk" suffix are part of the KOKKOS package, and can be
@ -977,10 +977,10 @@ LAMMPS.
</H4> </H4>
<P>The USER-INTEL package was developed by Mike Brown at Intel <P>The USER-INTEL package was developed by Mike Brown at Intel
Corporation. It provides a capability to accelerate simulations by Corporation. It provides a capability to accelerate simulations by
offloading neighbor list and non-bonded force calculations to Intel offloading neighbor list and non-bonded force calculations to Intel(R)
coprocessors (Xeon Phi). Additionally, it supports running Xeon Phi(TM) coprocessors. Additionally, it supports running
simulations in single, mixed, or double precision with vectorization, simulations in single, mixed, or double precision with vectorization,
even if a coprocessor is not present, i.e. on an Intel CPU. The same even if a coprocessor is not present, i.e. on an Intel(R) CPU. The same
C++ code is used for both cases. When offloading to a coprocessor, C++ code is used for both cases. When offloading to a coprocessor,
the routine is run twice, once with an offload flag. the routine is run twice, once with an offload flag.
</P> </P>
@ -1006,19 +1006,19 @@ LINKFLAGS variables. You also need to add -DLAMMPS_MEMALIGN=64 and
</P> </P>
<P>If you are compiling on the same architecture that will be used for <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 the runs, adding the flag <I>-xHost</I> will enable vectorization with the
Intel compiler. In order to build with support for an Intel Intel(R) compiler. In order to build with support for an Intel(R)
coprocessor, the flag <I>-offload</I> should be added to the LINKFLAGS line 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 and the flag <I>-DLMP_INTEL_OFFLOAD</I> should be added to the CCFLAGS
line. line.
</P> </P>
<P>The files src/MAKE/Makefile.intel and src/MAKE/Makefile.intel_offload <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 are included in the src/MAKE directory with options that perform well
with the Intel compiler. The latter Makefile has support for offload with the Intel(R) compiler. The latter Makefile has support for offload
to coprocessors and the former does not. to coprocessors and the former does not.
</P> </P>
<P>It is recommended that Intel Compiler 2013 SP1 update 1 be used for <P>It is recommended that Intel(R) Compiler 2013 SP1 update 1 be used for
compiling. Newer versions have some performance issues that are being compiling. Newer versions have some performance issues that are being
addressed. If using Intel MPI, version 5 or higher is recommended. addressed. If using Intel(R) MPI, version 5 or higher is recommended.
</P> </P>
<P>The rest of the compilation is the same as for any other package that <P>The rest of the compilation is the same as for any other package that
has no additional library dependencies, e.g. has no additional library dependencies, e.g.
@ -1034,7 +1034,7 @@ them.
</P> </P>
<P>The total number of MPI tasks used by LAMMPS (one or multiple per <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 compute node) is set in the usual manner via the mpirun or mpiexec
commands, and is independent of the Intel package. commands, and is independent of the USER-INTEL package.
</P> </P>
<P>Input script requirements to run using pair styles with a <I>intel</I> <P>Input script requirements to run using pair styles with a <I>intel</I>
suffix are as follows: suffix are as follows:
@ -1054,10 +1054,10 @@ 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 intel</A> command must be used in the input script with a
"single" or "double" keyword specified. "single" or "double" keyword specified.
</P> </P>
<P><B>Running with an Intel coprocessor:</B> <P><B>Running with an Intel(R) coprocessor:</B>
</P> </P>
<P>The USER-INTEL package supports offload of a fraction of the work to <P>The USER-INTEL package supports offload of a fraction of the work to
Intel coprocessors (Xeon Phi). This is accomplished by setting a Intel(R) Xeon Phi(TM) coprocessors. This is accomplished by setting a
balance fraction on the <A HREF = "package.html">package intel</A> command. 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 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 all calculations on the coprocessor. A balance of 0.5 runs half of
@ -1075,8 +1075,8 @@ 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. to find a setting that will carry over to additional runs.
</P> </P>
<P>The default for the <A HREF = "package.html">package intel</A> command is to have <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 all the MPI tasks on a given compute node use a single Xeon Phi(TM) coprocessor
(Xeon Phi). In general, running with a large number of MPI tasks on In general, running with a large number of MPI tasks on
each node will perform best with offload. Each MPI task will each node will perform best with offload. Each MPI task will
automatically get affinity to a subset of the hardware threads automatically get affinity to a subset of the hardware threads
available on the coprocessor. For example, if your card has 61 cores, available on the coprocessor. For example, if your card has 61 cores,
@ -1087,7 +1087,7 @@ 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 threads to use per core can be accomplished with keywords to the
<A HREF = "package.html">package intel</A> command. <A HREF = "package.html">package intel</A> command.
</P> </P>
<P>If LAMMPS is using offload to a coprocessor (Xeon Phi), a diagnostic <P>If LAMMPS is using offload to a Intel(R) Xeon Phi(TM) coprocessor, a diagnostic
line during the setup for a run is printed to the screen (not to log 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 files) indicating that offload is being used and the number of
coprocessor threads per MPI task. Additionally, an offload timing coprocessor threads per MPI task. Additionally, an offload timing
@ -1095,7 +1095,7 @@ 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 <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. that the per-atom data is sorted every neighbor build.
</P> </P>
<P>To use multiple coprocessors (Xeon Phis) on each compute node, the <P>To use multiple coprocessors on each compute node, the
<I>offload_cards</I> keyword can be specified with the <A HREF = "package.html">package <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 intel</A> command to specify the number of coprocessors to
use. use.

View File

@ -172,8 +172,8 @@ Styles with an "intel" suffix are part of the USER-INTEL
package. These styles support vectorized single and mixed precision package. These styles support vectorized single and mixed precision
calculations, in addition to full double precision. In extreme cases, calculations, in addition to full double precision. In extreme cases,
this can provide speedups over 3.5x on CPUs. The package also this can provide speedups over 3.5x on CPUs. The package also
supports acceleration with offload to Intel corprocessors (Xeon supports acceleration with offload to Intel(R) Xeon Phi(TM) coprocessors.
Phi). This can result in additional speedup over 2x depending on the This can result in additional speedup over 2x depending on the
hardware configuration. hardware configuration.
Styles with a "kk" suffix are part of the KOKKOS package, and can be Styles with a "kk" suffix are part of the KOKKOS package, and can be
@ -973,10 +973,10 @@ LAMMPS.
The USER-INTEL package was developed by Mike Brown at Intel The USER-INTEL package was developed by Mike Brown at Intel
Corporation. It provides a capability to accelerate simulations by Corporation. It provides a capability to accelerate simulations by
offloading neighbor list and non-bonded force calculations to Intel offloading neighbor list and non-bonded force calculations to Intel(R)
coprocessors (Xeon Phi). Additionally, it supports running Xeon Phi(TM) coprocessors. Additionally, it supports running
simulations in single, mixed, or double precision with vectorization, simulations in single, mixed, or double precision with vectorization,
even if a coprocessor is not present, i.e. on an Intel CPU. The same even if a coprocessor is not present, i.e. on an Intel(R) CPU. The same
C++ code is used for both cases. When offloading to a coprocessor, C++ code is used for both cases. When offloading to a coprocessor,
the routine is run twice, once with an offload flag. the routine is run twice, once with an offload flag.
@ -1002,19 +1002,19 @@ LINKFLAGS variables. You also need to add -DLAMMPS_MEMALIGN=64 and
If you are compiling on the same architecture that will be used for If you are compiling on the same architecture that will be used for
the runs, adding the flag {-xHost} will enable vectorization with the the runs, adding the flag {-xHost} will enable vectorization with the
Intel compiler. In order to build with support for an Intel Intel(R) compiler. In order to build with support for an Intel(R)
coprocessor, the flag {-offload} should be added to the LINKFLAGS line coprocessor, the flag {-offload} should be added to the LINKFLAGS line
and the flag {-DLMP_INTEL_OFFLOAD} should be added to the CCFLAGS and the flag {-DLMP_INTEL_OFFLOAD} should be added to the CCFLAGS
line. line.
The files src/MAKE/Makefile.intel and src/MAKE/Makefile.intel_offload The files src/MAKE/Makefile.intel and src/MAKE/Makefile.intel_offload
are included in the src/MAKE directory with options that perform well are included in the src/MAKE directory with options that perform well
with the Intel compiler. The latter Makefile has support for offload with the Intel(R) compiler. The latter Makefile has support for offload
to coprocessors and the former does not. to coprocessors and the former does not.
It is recommended that Intel Compiler 2013 SP1 update 1 be used for It is recommended that Intel(R) Compiler 2013 SP1 update 1 be used for
compiling. Newer versions have some performance issues that are being compiling. Newer versions have some performance issues that are being
addressed. If using Intel MPI, version 5 or higher is recommended. addressed. If using Intel(R) MPI, version 5 or higher is recommended.
The rest of the compilation is the same as for any other package that The rest of the compilation is the same as for any other package that
has no additional library dependencies, e.g. has no additional library dependencies, e.g.
@ -1030,7 +1030,7 @@ them.
The total number of MPI tasks used by LAMMPS (one or multiple per 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 compute node) is set in the usual manner via the mpirun or mpiexec
commands, and is independent of the Intel package. commands, and is independent of the USER-INTEL package.
Input script requirements to run using pair styles with a {intel} Input script requirements to run using pair styles with a {intel}
suffix are as follows: suffix are as follows:
@ -1050,10 +1050,10 @@ use all single or all double precision, the "package
intel"_package.html command must be used in the input script with a intel"_package.html command must be used in the input script with a
"single" or "double" keyword specified. "single" or "double" keyword specified.
[Running with an Intel coprocessor:] [Running with an Intel(R) coprocessor:]
The USER-INTEL package supports offload of a fraction of the work to The USER-INTEL package supports offload of a fraction of the work to
Intel coprocessors (Xeon Phi). This is accomplished by setting a Intel(R) Xeon Phi(TM) coprocessors. This is accomplished by setting a
balance fraction on the "package intel"_package.html command. 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 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 all calculations on the coprocessor. A balance of 0.5 runs half of
@ -1071,8 +1071,8 @@ 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. to find a setting that will carry over to additional runs.
The default for the "package intel"_package.html command is to have 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 all the MPI tasks on a given compute node use a single Xeon Phi(TM) coprocessor
(Xeon Phi). In general, running with a large number of MPI tasks on In general, running with a large number of MPI tasks on
each node will perform best with offload. Each MPI task will each node will perform best with offload. Each MPI task will
automatically get affinity to a subset of the hardware threads automatically get affinity to a subset of the hardware threads
available on the coprocessor. For example, if your card has 61 cores, available on the coprocessor. For example, if your card has 61 cores,
@ -1083,7 +1083,7 @@ 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 threads to use per core can be accomplished with keywords to the
"package intel"_package.html command. "package intel"_package.html command.
If LAMMPS is using offload to a coprocessor (Xeon Phi), a diagnostic If LAMMPS is using offload to a Intel(R) Xeon Phi(TM) coprocessor, a diagnostic
line during the setup for a run is printed to the screen (not to log 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 files) indicating that offload is being used and the number of
coprocessor threads per MPI task. Additionally, an offload timing coprocessor threads per MPI task. Additionally, an offload timing
@ -1091,7 +1091,7 @@ 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 "sort"_atom_modify.html frequency for atom data is changed to 1 so
that the per-atom data is sorted every neighbor build. that the per-atom data is sorted every neighbor build.
To use multiple coprocessors (Xeon Phis) on each compute node, the To use multiple coprocessors on each compute node, the
{offload_cards} keyword can be specified with the "package {offload_cards} keyword can be specified with the "package
intel"_package.html command to specify the number of coprocessors to intel"_package.html command to specify the number of coprocessors to
use. use.

View File

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

View File

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

View File

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

View File

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

View File

@ -125,7 +125,7 @@ on how to build LAMMPS with both kinds of auxiliary libraries.
<TR ALIGN="center"><TD >USER-CUDA</TD><TD > NVIDIA GPU styles</TD><TD > Christian Trott (U Tech Ilmenau)</TD><TD > <A HREF = "Section_accelerate.html#acc_7">Section accelerate</A></TD><TD > USER/cuda</TD><TD > -</TD><TD > lib/cuda</TD></TR> <TR ALIGN="center"><TD >USER-CUDA</TD><TD > NVIDIA GPU styles</TD><TD > Christian Trott (U Tech Ilmenau)</TD><TD > <A HREF = "Section_accelerate.html#acc_7">Section accelerate</A></TD><TD > USER/cuda</TD><TD > -</TD><TD > lib/cuda</TD></TR>
<TR ALIGN="center"><TD >USER-EFF</TD><TD > electron force field</TD><TD > Andres Jaramillo-Botero (Caltech)</TD><TD > <A HREF = "pair_eff.html">pair_style eff/cut</A></TD><TD > USER/eff</TD><TD > <A HREF = "http://lammps.sandia.gov/movies.html#eff">eff</A></TD><TD > -</TD></TR> <TR ALIGN="center"><TD >USER-EFF</TD><TD > electron force field</TD><TD > Andres Jaramillo-Botero (Caltech)</TD><TD > <A HREF = "pair_eff.html">pair_style eff/cut</A></TD><TD > USER/eff</TD><TD > <A HREF = "http://lammps.sandia.gov/movies.html#eff">eff</A></TD><TD > -</TD></TR>
<TR ALIGN="center"><TD >USER-FEP</TD><TD > free energy perturbation</TD><TD > Agilio Padua (U Blaise Pascal Clermont-Ferrand)</TD><TD > <A HREF = "fix_adapt.html">fix adapt/fep</A></TD><TD > USER/fep</TD><TD > -</TD><TD > -</TD></TR> <TR ALIGN="center"><TD >USER-FEP</TD><TD > free energy perturbation</TD><TD > Agilio Padua (U Blaise Pascal Clermont-Ferrand)</TD><TD > <A HREF = "fix_adapt.html">fix adapt/fep</A></TD><TD > USER/fep</TD><TD > -</TD><TD > -</TD></TR>
<TR ALIGN="center"><TD >USER-INTEL</TD><TD > Vectorized CPU and Intel coprocessor styles</TD><TD > W. Michael Brown (Intel)</TD><TD > <A HREF = "Section_accelerate.html#acc_9">Section accelerate</A></TD><TD > examples/intel</TD><TD > -</TD><TD > -</TD></TR> <TR ALIGN="center"><TD >USER-INTEL</TD><TD > Vectorized CPU and Intel(R) coprocessor styles</TD><TD > W. Michael Brown (Intel)</TD><TD > <A HREF = "Section_accelerate.html#acc_9">Section accelerate</A></TD><TD > examples/intel</TD><TD > -</TD><TD > -</TD></TR>
<TR ALIGN="center"><TD >USER-LB</TD><TD > Lattice Boltzmann fluid</TD><TD > Colin Denniston (U Western Ontario)</TD><TD > <A HREF = "fix_lb_fluid.html">fix lb/fluid</A></TD><TD > USER/lb</TD><TD > -</TD><TD > -</TD></TR> <TR ALIGN="center"><TD >USER-LB</TD><TD > Lattice Boltzmann fluid</TD><TD > Colin Denniston (U Western Ontario)</TD><TD > <A HREF = "fix_lb_fluid.html">fix lb/fluid</A></TD><TD > USER/lb</TD><TD > -</TD><TD > -</TD></TR>
<TR ALIGN="center"><TD >USER-MISC</TD><TD > single-file contributions</TD><TD > USER-MISC/README</TD><TD > USER-MISC/README</TD><TD > -</TD><TD > -</TD><TD > -</TD></TR> <TR ALIGN="center"><TD >USER-MISC</TD><TD > single-file contributions</TD><TD > USER-MISC/README</TD><TD > USER-MISC/README</TD><TD > -</TD><TD > -</TD><TD > -</TD></TR>
<TR ALIGN="center"><TD >USER-MOLFILE</TD><TD > <A HREF = "http://www.ks.uiuc.edu/Research/vmd">VMD</A> molfile plug-ins</TD><TD > Axel Kohlmeyer (Temple U)</TD><TD > <A HREF = "dump_molfile.html">dump molfile</A></TD><TD > -</TD><TD > -</TD><TD > VMD-MOLFILE</TD></TR> <TR ALIGN="center"><TD >USER-MOLFILE</TD><TD > <A HREF = "http://www.ks.uiuc.edu/Research/vmd">VMD</A> molfile plug-ins</TD><TD > Axel Kohlmeyer (Temple U)</TD><TD > <A HREF = "dump_molfile.html">dump molfile</A></TD><TD > -</TD><TD > -</TD><TD > VMD-MOLFILE</TD></TR>
@ -390,6 +390,22 @@ Contact him directly if you have questions.
</P> </P>
<HR> <HR>
<H4>USER-INTEL package
</H4>
<P>This package provides options for performing neighbor list and
non-bonded force calculations in single, mixed, or double precision
and also a capability for accelerating calculations with an
Intel(R) Xeon Phi(TM) coprocessor.
</P>
<P>See this section of the manual to get started:
</P>
<P><A HREF = "Section_accelerate.html#acc_9">Section_accelerate</A>
</P>
<P>The person who created this package is W. Michael Brown at Intel
(michael.w.brown at intel.com). Contact him directly if you have questions.
</P>
<HR>
<H4>USER-LB package <H4>USER-LB package
</H4> </H4>
<P>This package contains a LAMMPS implementation of a background <P>This package contains a LAMMPS implementation of a background

View File

@ -117,7 +117,7 @@ USER-COLVARS, collective variables, Fiorin & Henin & Kohlmeyer (3), "fix colvars
USER-CUDA, NVIDIA GPU styles, Christian Trott (U Tech Ilmenau), "Section accelerate"_Section_accelerate.html#acc_7, USER/cuda, -, lib/cuda USER-CUDA, NVIDIA GPU styles, Christian Trott (U Tech Ilmenau), "Section accelerate"_Section_accelerate.html#acc_7, USER/cuda, -, lib/cuda
USER-EFF, electron force field, Andres Jaramillo-Botero (Caltech), "pair_style eff/cut"_pair_eff.html, USER/eff, "eff"_eff, - USER-EFF, electron force field, Andres Jaramillo-Botero (Caltech), "pair_style eff/cut"_pair_eff.html, USER/eff, "eff"_eff, -
USER-FEP, free energy perturbation, Agilio Padua (U Blaise Pascal Clermont-Ferrand), "fix adapt/fep"_fix_adapt.html, USER/fep, -, - USER-FEP, free energy perturbation, Agilio Padua (U Blaise Pascal Clermont-Ferrand), "fix adapt/fep"_fix_adapt.html, USER/fep, -, -
USER-INTEL, Vectorized CPU and Intel coprocessor styles, W. Michael Brown (Intel), "Section accelerate"_Section_accelerate.html#acc_9, examples/intel, -, - USER-INTEL, Vectorized CPU and Intel(R) coprocessor styles, W. Michael Brown (Intel), "Section accelerate"_Section_accelerate.html#acc_9, examples/intel, -, -
USER-LB, Lattice Boltzmann fluid, Colin Denniston (U Western Ontario), "fix lb/fluid"_fix_lb_fluid.html, USER/lb, -, - USER-LB, Lattice Boltzmann fluid, Colin Denniston (U Western Ontario), "fix lb/fluid"_fix_lb_fluid.html, USER/lb, -, -
USER-MISC, single-file contributions, USER-MISC/README, USER-MISC/README, -, -, - USER-MISC, single-file contributions, USER-MISC/README, USER-MISC/README, -, -, -
USER-MOLFILE, "VMD"_VMD molfile plug-ins, Axel Kohlmeyer (Temple U), "dump molfile"_dump_molfile.html, -, -, VMD-MOLFILE USER-MOLFILE, "VMD"_VMD molfile plug-ins, Axel Kohlmeyer (Temple U), "dump molfile"_dump_molfile.html, -, -, VMD-MOLFILE
@ -377,6 +377,22 @@ Contact him directly if you have questions.
:line :line
USER-INTEL package :h4
This package provides options for performing neighbor list and
non-bonded force calculations in single, mixed, or double precision
and also a capability for accelerating calculations with an
Intel(R) Xeon Phi(TM) coprocessor.
See this section of the manual to get started:
"Section_accelerate"_Section_accelerate.html#acc_9
The person who created this package is W. Michael Brown at Intel
(michael.w.brown at intel.com). Contact him directly if you have questions.
:line
USER-LB package :h4 USER-LB package :h4
This package contains a LAMMPS implementation of a background This package contains a LAMMPS implementation of a background

View File

@ -1493,8 +1493,8 @@ default GPU settings, as if the command "package gpu force/neigh 0 0
changed by using the <A HREF = "package.html">package gpu</A> command in your script changed by using the <A HREF = "package.html">package gpu</A> command in your script
if desired. if desired.
</P> </P>
<P>For the Intel package, using this command-line switch also invokes the <P>For the USER-INTEL package, using this command-line switch also invokes the
default Intel settings, as if the command "package intel * mixed default USER-INTEL settings, as if the command "package intel * mixed
balance -1" were used at the top of your input script. These settings 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 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 your script if desired. If the USER-OMP package is installed, the

View File

@ -1487,8 +1487,8 @@ default GPU settings, as if the command "package gpu force/neigh 0 0
changed by using the "package gpu"_package.html command in your script changed by using the "package gpu"_package.html command in your script
if desired. if desired.
For the Intel package, using this command-line switch also invokes the For the USER-INTEL package, using this command-line switch also invokes the
default Intel settings, as if the command "package intel * mixed default USER-INTEL settings, as if the command "package intel * mixed
balance -1" were used at the top of your input script. These settings 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 can be changed by using the "package intel"_package.html command in
your script if desired. If the USER-OMP package is installed, the your script if desired. If the USER-OMP package is installed, the

View File

@ -249,7 +249,7 @@ terms and single precision for everything else), or <I>double</I> (intel
styles use double precision for all calculations). styles use double precision for all calculations).
</P> </P>
<P>Additional keyword-value pairs are available that are used to <P>Additional keyword-value pairs are available that are used to
determine how work is offloaded to an Intel coprocessor. If LAMMPS is determine how work is offloaded to an Intel(R) coprocessor. If LAMMPS is
built without offload support, these values are ignored. The built without offload support, these values are ignored. The
additional settings are as follows: additional settings are as follows:
</P> </P>

View File

@ -243,7 +243,7 @@ terms and single precision for everything else), or {double} (intel
styles use double precision for all calculations). styles use double precision for all calculations).
Additional keyword-value pairs are available that are used to Additional keyword-value pairs are available that are used to
determine how work is offloaded to an Intel coprocessor. If LAMMPS is determine how work is offloaded to an Intel(R) coprocessor. If LAMMPS is
built without offload support, these values are ignored. The built without offload support, these values are ignored. The
additional settings are as follows: additional settings are as follows:

View File

@ -51,7 +51,7 @@ run on one or more GPUs or multicore CPU/GPU nodes
<LI>USER-INTEL = a collection of pair styles and neighbor routines <LI>USER-INTEL = a collection of pair styles and neighbor routines
optimized to run in single, mixed, or double precision on CPUs and optimized to run in single, mixed, or double precision on CPUs and
Intel coprocessors (Xeon Phi). Intel(R) Xeon Phi(TM) coprocessors.
<LI>KOKKOS = a collection of atom, pair, and fix styles optimized to run <LI>KOKKOS = a collection of atom, pair, and fix styles optimized to run
using the Kokkos library on various kinds of hardware, including GPUs using the Kokkos library on various kinds of hardware, including GPUs

View File

@ -48,7 +48,7 @@ run on one or more GPUs or multicore CPU/GPU nodes :l
USER-INTEL = a collection of pair styles and neighbor routines USER-INTEL = a collection of pair styles and neighbor routines
optimized to run in single, mixed, or double precision on CPUs and optimized to run in single, mixed, or double precision on CPUs and
Intel coprocessors (Xeon Phi). :l Intel(R) Xeon Phi(TM) coprocessors. :l
KOKKOS = a collection of atom, pair, and fix styles optimized to run KOKKOS = a collection of atom, pair, and fix styles optimized to run
using the Kokkos library on various kinds of hardware, including GPUs using the Kokkos library on various kinds of hardware, including GPUs