This package implements optimizations of various LAMMPS styles using the Kokkos library, which is part of Trilinos (http://trilinos.sandia.gov/packages/kokkos). It's a templated C++ library that provides two key abstractions for an application like LAMMPS. First, it allows a single implementation of an application kernel (e.g. a pair style) to run efficiently on different kinds of hardware, such as a GPU, Intel Phi, or many-core chip.

This package uses an external library in lib/kokkos. However the "library" is mostly header files and is auto-built when building LAMMPS with this package installed, so no special pre-build of the library is necessary. See the lib/kokkos/README file and the LAMMPS manual for information on building LAMMPS with external libraries. The settings in the Makefile.lammps file in that directory must be correct for LAMMPS to build correctly with this package installed.

This package was developed primaritly by Christian Trott (Sandia) with contributions of various styles by others, including Sikandar Mashayak (UIUC). The underlying Kokkos library was written primarily by Carter Edwards, Christian Trott, and Dan Sunderland (all Sandia).