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