git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6825 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
@ -268,6 +268,9 @@ many timesteps, to run entirely on the GPU (except for inter-processor
|
||||
MPI communication), so that atom-based data (e.g. coordinates, forces)
|
||||
do not have to move back-and-forth between the CPU and GPU. :ulb,l
|
||||
|
||||
The speed-up advantage of this approach is typically better when the
|
||||
number of atoms per GPU is large :l
|
||||
|
||||
Data will stay on the GPU until a timestep where a non-GPU-ized fix or
|
||||
compute is invoked. Whenever a non-GPU operation occurs (fix,
|
||||
compute, output), data automatically moves back to the CPU as needed.
|
||||
|
||||
90
doc/Section_packages.html
Normal file
90
doc/Section_packages.html
Normal file
@ -0,0 +1,90 @@
|
||||
<HTML>
|
||||
<CENTER><A HREF = "Section_commands.html">Previous Section</A> - <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> -
|
||||
<A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> - <A HREF = "Section_accelerate.html">Next
|
||||
Section</A>
|
||||
</CENTER>
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
<HR>
|
||||
|
||||
<H3>4. Packages
|
||||
</H3>
|
||||
<P>LAMMPS includes many optional packages, which are groups of files that
|
||||
enable a specific set of features. For example, force fields for
|
||||
molecular systems or granular systems are in packages. You can see
|
||||
the list of all packages by typing "make package" from within the src
|
||||
directory of the LAMMPS distribution.
|
||||
</P>
|
||||
<P>See <A HREF = "Section_start.html#start_3">this section</A> of the manual for
|
||||
details on how to include/exclude specific packages as part of the
|
||||
LAMMPS build process, and for more details about the differences
|
||||
between standard packages and user packages in LAMMPS.
|
||||
</P>
|
||||
<P>Below, the packages currently availabe in LAMMPS are listed. For
|
||||
standard packages, just a one-line description is given. For user
|
||||
packages, more details are provided.
|
||||
</P>
|
||||
4.1 <A HREF = "#pkg_1">Standard packages</A><BR>
|
||||
4.2 <A HREF = "#pkg_2">User packages</A> <BR>
|
||||
|
||||
<HR>
|
||||
|
||||
<HR>
|
||||
|
||||
<H4><A NAME = "pkg_1"></A>4.1 Standard packages
|
||||
</H4>
|
||||
<P>The current list of standard packages is as follows:
|
||||
</P>
|
||||
<DIV ALIGN=center><TABLE BORDER=1 >
|
||||
<TR><TD >asphere </TD><TD > aspherical particles and force fields</TD></TR>
|
||||
<TR><TD >class2 </TD><TD > class 2 force fields</TD></TR>
|
||||
<TR><TD >colloid </TD><TD > colloidal particle force fields</TD></TR>
|
||||
<TR><TD >dipole </TD><TD > point dipole particles and force fields</TD></TR>
|
||||
<TR><TD >gpu </TD><TD > GPU-enabled force field styles</TD></TR>
|
||||
<TR><TD >granular </TD><TD > force fields and boundary conditions for granular systems</TD></TR>
|
||||
<TR><TD >kspace </TD><TD > long-range Ewald and particle-mesh (PPPM) solvers</TD></TR>
|
||||
<TR><TD >manybody </TD><TD > metal, 3-body, bond-order potentials</TD></TR>
|
||||
<TR><TD >meam </TD><TD > modified embedded atom method (MEAM) potential</TD></TR>
|
||||
<TR><TD >mc </TD><TD > Monte Carlo options</TD></TR>
|
||||
<TR><TD >molecule </TD><TD > force fields for molecular systems</TD></TR>
|
||||
<TR><TD >opt </TD><TD > optimized versions of a few pair potentials</TD></TR>
|
||||
<TR><TD >peri </TD><TD > Peridynamics model and potential</TD></TR>
|
||||
<TR><TD >poems </TD><TD > coupled rigid body motion</TD></TR>
|
||||
<TR><TD >reax </TD><TD > ReaxFF potential</TD></TR>
|
||||
<TR><TD >replica </TD><TD > multi-replica methods</TD></TR>
|
||||
<TR><TD >shock </TD><TD > methods for MD simulations of shock loading</TD></TR>
|
||||
<TR><TD >srd </TD><TD > stochastic rotation dynamics (SRD)</TD></TR>
|
||||
<TR><TD >xtc </TD><TD > dump atom snapshots in XTC format</TD></TR>
|
||||
<TR><TD >
|
||||
</TD></TR></TABLE></DIV>
|
||||
|
||||
<HR>
|
||||
|
||||
<HR>
|
||||
|
||||
<H4><A NAME = "pkg_2"></A>4.2 User packages
|
||||
</H4>
|
||||
<P>NOTE: More details need to be added to this section
|
||||
</P>
|
||||
<P>brief paragraph description, author, email, links
|
||||
to pics/movies page
|
||||
</P>
|
||||
<P>The current list of user-contributed packages is as follows:
|
||||
</P>
|
||||
<DIV ALIGN=center><TABLE BORDER=1 >
|
||||
<TR><TD >USER-MISC </TD><TD > collection of individual style files</TD></TR>
|
||||
<TR><TD >USER-ATC </TD><TD > AtC atom-to-continuum package</TD></TR>
|
||||
<TR><TD >USER-AWPMD </TD><TD > wave-packet MD</TD></TR>
|
||||
<TR><TD >USER-CG-CMM </TD><TD > coarse-graining</TD></TR>
|
||||
<TR><TD >USER-CUDA </TD><TD > NVIDIA GPU styles</TD></TR>
|
||||
<TR><TD >USER-EFF </TD><TD > eFF electron force field</TD></TR>
|
||||
<TR><TD >USER-EWALDN </TD><TD > enhanced Ewald</TD></TR>
|
||||
<TR><TD >USER-REAXC </TD><TD > C-version of ReaxFF</TD></TR>
|
||||
<TR><TD >
|
||||
</TD></TR></TABLE></DIV>
|
||||
|
||||
</HTML>
|
||||
79
doc/Section_packages.txt
Normal file
79
doc/Section_packages.txt
Normal file
@ -0,0 +1,79 @@
|
||||
"Previous Section"_Section_commands.html - "LAMMPS WWW Site"_lws -
|
||||
"LAMMPS Documentation"_ld - "LAMMPS Commands"_lc - "Next
|
||||
Section"_Section_accelerate.html :c
|
||||
|
||||
:link(lws,http://lammps.sandia.gov)
|
||||
:link(ld,Manual.html)
|
||||
:link(lc,Section_commands.html#comm)
|
||||
|
||||
:line
|
||||
|
||||
4. Packages :h3
|
||||
|
||||
LAMMPS includes many optional packages, which are groups of files that
|
||||
enable a specific set of features. For example, force fields for
|
||||
molecular systems or granular systems are in packages. You can see
|
||||
the list of all packages by typing "make package" from within the src
|
||||
directory of the LAMMPS distribution.
|
||||
|
||||
See "this section"_Section_start.html#start_3 of the manual for
|
||||
details on how to include/exclude specific packages as part of the
|
||||
LAMMPS build process, and for more details about the differences
|
||||
between standard packages and user packages in LAMMPS.
|
||||
|
||||
Below, the packages currently availabe in LAMMPS are listed. For
|
||||
standard packages, just a one-line description is given. For user
|
||||
packages, more details are provided.
|
||||
|
||||
4.1 "Standard packages"_#pkg_1
|
||||
4.2 "User packages"_#pkg_2 :all(b)
|
||||
|
||||
:line
|
||||
:line
|
||||
|
||||
4.1 Standard packages :h4,link(pkg_1)
|
||||
|
||||
The current list of standard packages is as follows:
|
||||
|
||||
asphere : aspherical particles and force fields
|
||||
class2 : class 2 force fields
|
||||
colloid : colloidal particle force fields
|
||||
dipole : point dipole particles and force fields
|
||||
gpu : GPU-enabled force field styles
|
||||
granular : force fields and boundary conditions for granular systems
|
||||
kspace : long-range Ewald and particle-mesh (PPPM) solvers
|
||||
manybody : metal, 3-body, bond-order potentials
|
||||
meam : modified embedded atom method (MEAM) potential
|
||||
mc : Monte Carlo options
|
||||
molecule : force fields for molecular systems
|
||||
opt : optimized versions of a few pair potentials
|
||||
peri : Peridynamics model and potential
|
||||
poems : coupled rigid body motion
|
||||
reax : ReaxFF potential
|
||||
replica : multi-replica methods
|
||||
shock : methods for MD simulations of shock loading
|
||||
srd : stochastic rotation dynamics (SRD)
|
||||
xtc : dump atom snapshots in XTC format
|
||||
:tb(s=:)
|
||||
|
||||
:line
|
||||
:line
|
||||
|
||||
4.2 User packages :h4,link(pkg_2)
|
||||
|
||||
NOTE: More details need to be added to this section
|
||||
|
||||
brief paragraph description, author, email, links
|
||||
to pics/movies page
|
||||
|
||||
The current list of user-contributed packages is as follows:
|
||||
|
||||
USER-MISC : collection of individual style files
|
||||
USER-ATC : AtC atom-to-continuum package
|
||||
USER-AWPMD : wave-packet MD
|
||||
USER-CG-CMM : coarse-graining
|
||||
USER-CUDA : NVIDIA GPU styles
|
||||
USER-EFF : eFF electron force field
|
||||
USER-EWALDN : enhanced Ewald
|
||||
USER-REAXC : C-version of ReaxFF
|
||||
:tb(s=:)
|
||||
Reference in New Issue
Block a user