lammps/src/USER-CUDA4a975dd8cf07lammm-devel
USER-CUDA
README
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.