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GPU

Install.sh
README
fix_gpu.cpp
fix_gpu.h
gpu_extra.h
pair_beck_gpu.cpp
pair_beck_gpu.h
pair_born_coul_long_gpu.cpp
pair_born_coul_long_gpu.h
pair_born_coul_wolf_gpu.cpp
pair_born_coul_wolf_gpu.h
pair_born_gpu.cpp
pair_born_gpu.h
pair_buck_coul_cut_gpu.cpp
pair_buck_coul_cut_gpu.h
pair_buck_coul_long_gpu.cpp
pair_buck_coul_long_gpu.h
pair_buck_gpu.cpp
pair_buck_gpu.h
pair_colloid_gpu.cpp
pair_colloid_gpu.h
pair_coul_cut_gpu.cpp
pair_coul_cut_gpu.h
pair_coul_debye_gpu.cpp
pair_coul_debye_gpu.h
pair_coul_dsf_gpu.cpp
pair_coul_dsf_gpu.h
pair_coul_long_gpu.cpp
pair_coul_long_gpu.h
pair_dpd_gpu.cpp
pair_dpd_gpu.h
pair_dpd_tstat_gpu.cpp
pair_dpd_tstat_gpu.h
pair_eam_alloy_gpu.cpp
pair_eam_alloy_gpu.h
pair_eam_fs_gpu.cpp
pair_eam_fs_gpu.h
pair_eam_gpu.cpp
pair_eam_gpu.h
pair_gauss_gpu.cpp
pair_gauss_gpu.h
pair_gayberne_gpu.cpp
pair_gayberne_gpu.h
pair_lj96_cut_gpu.cpp
pair_lj96_cut_gpu.h
pair_lj_charmm_coul_long_gpu.cpp
pair_lj_charmm_coul_long_gpu.h
pair_lj_class2_coul_long_gpu.cpp
pair_lj_class2_coul_long_gpu.h
pair_lj_class2_gpu.cpp
pair_lj_class2_gpu.h
pair_lj_cubic_gpu.cpp
pair_lj_cubic_gpu.h
pair_lj_cut_coul_cut_gpu.cpp
pair_lj_cut_coul_cut_gpu.h
pair_lj_cut_coul_debye_gpu.cpp
pair_lj_cut_coul_debye_gpu.h
pair_lj_cut_coul_dsf_gpu.cpp
pair_lj_cut_coul_dsf_gpu.h
pair_lj_cut_coul_long_gpu.cpp
pair_lj_cut_coul_long_gpu.h
pair_lj_cut_coul_msm_gpu.cpp
pair_lj_cut_coul_msm_gpu.h
pair_lj_cut_dipole_cut_gpu.cpp
pair_lj_cut_dipole_cut_gpu.h
pair_lj_cut_gpu.cpp
pair_lj_cut_gpu.h
pair_lj_expand_gpu.cpp
pair_lj_expand_gpu.h
pair_lj_gromacs_gpu.cpp
pair_lj_gromacs_gpu.h
pair_lj_sdk_coul_long_gpu.cpp
pair_lj_sdk_coul_long_gpu.h
pair_lj_sdk_gpu.cpp
pair_lj_sdk_gpu.h
pair_lj_sf_dipole_sf_gpu.cpp
pair_lj_sf_dipole_sf_gpu.h
pair_mie_cut_gpu.cpp
pair_mie_cut_gpu.h
pair_morse_gpu.cpp
pair_morse_gpu.h
pair_resquared_gpu.cpp
pair_resquared_gpu.h
pair_soft_gpu.cpp
pair_soft_gpu.h
pair_sw_gpu.cpp
pair_sw_gpu.h
pair_table_gpu.cpp
pair_table_gpu.h
pair_tersoff_gpu.cpp
pair_tersoff_gpu.h
pair_tersoff_mod_gpu.cpp
pair_tersoff_mod_gpu.h
pair_tersoff_zbl_gpu.cpp
pair_tersoff_zbl_gpu.h
pair_vashishta_gpu.cpp
pair_vashishta_gpu.h
pair_yukawa_colloid_gpu.cpp
pair_yukawa_colloid_gpu.h
pair_yukawa_gpu.cpp
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README

This package implements GPU optimizations of various LAMMPS styles.

Section 5.3.1 on 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. See the KOKKOS package, which 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.

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