diff --git a/doc/Section_accelerate.txt b/doc/Section_accelerate.txt index 30eefba2f7..e98f7c85ea 100644 --- a/doc/Section_accelerate.txt +++ b/doc/Section_accelerate.txt @@ -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. diff --git a/doc/Section_packages.html b/doc/Section_packages.html new file mode 100644 index 0000000000..8f4efd9522 --- /dev/null +++ b/doc/Section_packages.html @@ -0,0 +1,90 @@ + +
Previous Section - LAMMPS WWW Site - +LAMMPS Documentation - LAMMPS Commands - Next +Section +
+ + + + + + +
+ +

4. Packages +

+

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 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
+4.2 User packages
+ +
+ +
+ +

4.1 Standard packages +

+

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
+
+ +
+ +
+ +

4.2 User packages +

+

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
+
+ + diff --git a/doc/Section_packages.txt b/doc/Section_packages.txt new file mode 100644 index 0000000000..aabfd1674b --- /dev/null +++ b/doc/Section_packages.txt @@ -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=:)