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lammps/src/GPU
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Axel Kohlmeyer 396d577f40 port DPD exclusions corrections to GPU package
2023-01-02 12:04:10 -05:00
..
fix_gpu.cpp
replace atoi() with suitable utility functions
2022-12-09 16:56:17 -05:00
fix_gpu.h
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2022-10-24 11:08:26 -04:00
fix_nh_gpu.cpp
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fix_nh_gpu.h
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2022-10-24 11:08:26 -04:00
fix_npt_gpu.cpp
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fix_npt_gpu.h
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fix_nve_asphere_gpu.cpp
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fix_nve_asphere_gpu.h
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fix_nve_gpu.cpp
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fix_nve_gpu.h
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fix_nvt_gpu.cpp
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fix_nvt_gpu.h
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gpu_extra.h
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Install.sh
correct updating Makefile.package.setting edits, fix a few broken ones.
2022-11-30 19:31:00 -05:00
pair_beck_gpu.cpp
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pair_beck_gpu.h
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pair_born_coul_long_cs_gpu.cpp
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pair_born_coul_long_cs_gpu.h
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pair_born_coul_long_gpu.cpp
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pair_born_coul_long_gpu.h
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pair_born_coul_wolf_cs_gpu.cpp
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pair_born_coul_wolf_cs_gpu.h
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pair_born_coul_wolf_gpu.cpp
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pair_born_coul_wolf_gpu.h
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pair_born_gpu.cpp
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pair_born_gpu.h
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pair_buck_coul_cut_gpu.cpp
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pair_buck_coul_cut_gpu.h
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pair_buck_coul_long_gpu.cpp
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pair_buck_coul_long_gpu.h
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pair_buck_gpu.cpp
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pair_buck_gpu.h
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2022-10-24 11:08:26 -04:00
pair_colloid_gpu.cpp
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pair_colloid_gpu.h
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pair_coul_cut_gpu.cpp
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pair_coul_cut_gpu.h
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pair_coul_debye_gpu.cpp
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pair_coul_debye_gpu.h
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pair_coul_dsf_gpu.cpp
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pair_coul_dsf_gpu.h
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pair_coul_long_cs_gpu.cpp
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pair_coul_long_cs_gpu.h
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pair_coul_long_gpu.cpp
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2022-10-24 11:08:26 -04:00
pair_coul_long_gpu.h
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2022-10-24 11:08:26 -04:00
pair_dpd_gpu.cpp
port DPD exclusions corrections to GPU package
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pair_dpd_gpu.h
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2022-10-24 11:08:26 -04:00
pair_dpd_tstat_gpu.cpp
port DPD exclusions corrections to GPU package
2023-01-02 12:04:10 -05:00
pair_dpd_tstat_gpu.h
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2022-10-24 11:08:26 -04:00
pair_eam_alloy_gpu.cpp
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pair_eam_alloy_gpu.h
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pair_eam_fs_gpu.cpp
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pair_eam_fs_gpu.h
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pair_eam_gpu.cpp
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pair_eam_gpu.h
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pair_gauss_gpu.cpp
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pair_gauss_gpu.h
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pair_gayberne_gpu.cpp
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pair_gayberne_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj96_cut_gpu.cpp
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pair_lj96_cut_gpu.h
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pair_lj_charmm_coul_charmm_gpu.cpp
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pair_lj_charmm_coul_charmm_gpu.h
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pair_lj_charmm_coul_long_gpu.cpp
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pair_lj_charmm_coul_long_gpu.h
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pair_lj_class2_coul_long_gpu.cpp
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pair_lj_class2_coul_long_gpu.h
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pair_lj_class2_gpu.cpp
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pair_lj_class2_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_cubic_gpu.cpp
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pair_lj_cubic_gpu.h
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pair_lj_cut_coul_cut_gpu.cpp
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pair_lj_cut_coul_cut_gpu.h
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pair_lj_cut_coul_debye_gpu.cpp
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pair_lj_cut_coul_debye_gpu.h
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pair_lj_cut_coul_dsf_gpu.cpp
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pair_lj_cut_coul_dsf_gpu.h
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pair_lj_cut_coul_long_gpu.cpp
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pair_lj_cut_coul_long_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_msm_gpu.cpp
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pair_lj_cut_coul_msm_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_dipole_cut_gpu.cpp
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pair_lj_cut_dipole_cut_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_dipole_long_gpu.cpp
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pair_lj_cut_dipole_long_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_gpu.cpp
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pair_lj_cut_gpu.h
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pair_lj_cut_tip4p_long_gpu.cpp
Merge remote-tracking branch 'github/develop' into collected-small-changes
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pair_lj_cut_tip4p_long_gpu.h
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pair_lj_expand_coul_long_gpu.cpp
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pair_lj_expand_coul_long_gpu.h
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pair_lj_expand_gpu.cpp
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pair_lj_expand_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_gromacs_gpu.cpp
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pair_lj_gromacs_gpu.h
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pair_lj_sf_dipole_sf_gpu.cpp
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pair_lj_sf_dipole_sf_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_smooth_gpu.cpp
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pair_lj_smooth_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_spica_coul_long_gpu.cpp
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pair_lj_spica_coul_long_gpu.h
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pair_lj_spica_gpu.cpp
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pair_lj_spica_gpu.h
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2022-10-24 11:08:26 -04:00
pair_mie_cut_gpu.cpp
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pair_mie_cut_gpu.h
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2022-10-24 11:08:26 -04:00
pair_morse_gpu.cpp
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pair_morse_gpu.h
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2022-10-24 11:08:26 -04:00
pair_resquared_gpu.cpp
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pair_resquared_gpu.h
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2022-10-24 11:08:26 -04:00
pair_soft_gpu.cpp
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pair_soft_gpu.h
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pair_sw_gpu.cpp
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pair_sw_gpu.h
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pair_table_gpu.cpp
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pair_table_gpu.h
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pair_tersoff_gpu.cpp
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pair_tersoff_gpu.h
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pair_tersoff_mod_gpu.cpp
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pair_tersoff_mod_gpu.h
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pair_tersoff_zbl_gpu.cpp
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pair_tersoff_zbl_gpu.h
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pair_ufm_gpu.cpp
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pair_ufm_gpu.h
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pair_vashishta_gpu.cpp
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pair_vashishta_gpu.h
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pair_yukawa_colloid_gpu.cpp
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pair_yukawa_colloid_gpu.h
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pair_yukawa_gpu.cpp
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pair_yukawa_gpu.h
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pair_zbl_gpu.cpp
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pair_zbl_gpu.h
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pppm_gpu.cpp
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pppm_gpu.h
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README
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2019-05-18 15:16:10 -04:00

README 

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.