Files
lammps/src/GPU
Axel Kohlmeyer 7a17780a82 consistently check for newton pair off and align error message rest of LAMMPS
also add checks for required charge property for pair styles with coulomb
2021-05-22 13:17:58 -04:00
..
2021-05-12 00:17:12 -04:00

This package implements GPU optimizations of various LAMMPS styles.

Section 3.7 of the manual gives details of what hardware and Cuda
software is required on your system, and full details on how to build
and use this package.  The KOKKOS package also has GPU-enabled styles.

This package uses an external library provided in lib/gpu which must
be compiled before making LAMMPS.  See the lib/gpu/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 GPU package and its associated library was created by Mike Brown
while at Sandia and ORNL, and by Trung Nguyen while at ORNL.