Files
lammps/src/USER-CUDA
..

This package provides acceleration of various LAMMPS pair styles, fix
styles, compute styles, and long-range Coulombics via PPPM for NVIDIA
GPUs.
 
See this section of the manual to get started:

doc/Section_accelerate.html, sub-section 5.4

There are example scripts for using this package in
examples/USER/cuda.

This package uses an external library in lib/cuda which must be
compiled before making LAMMPS.  See the lib/cuda/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.

The person who created this package is Christian Trott at the
University of Technology Ilmenau, Germany (christian.trott at
tu-ilmenau.de).  Contact him directly if you have questions.