ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity
Files
cd4c97f8d8f8a7a111d0ab7de17185446ef60f40
lammps/src/GPU
History
Axel Kohlmeyer 4082ca077e Merge branch 'develop' into consolidate-sphere-omega-flag 
# Conflicts:
#	src/compute_temp_sphere.cpp
2024-01-25 17:57:53 -05:00
..
amoeba_convolution_gpu.cpp
use consistent names and capitalization in comments
2023-08-03 10:59:31 -04:00
amoeba_convolution_gpu.h
use consistent names and capitalization in comments
2023-08-03 10:59:31 -04:00
fix_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
fix_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
fix_nh_gpu.cpp
even more define to static constexpr conversions
2024-01-25 02:17:28 -05:00
fix_nh_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
fix_npt_gpu.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
fix_npt_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
fix_nve_asphere_gpu.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
fix_nve_asphere_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
fix_nve_gpu.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
fix_nve_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
fix_nvt_gpu.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
fix_nvt_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
gpu_extra.h
update developer reference text
2022-10-24 11:08:26 -04:00
Install.sh
Merge branch 'develop' into amoeba-gpu
2022-12-14 13:16:41 -06:00
pair_amoeba_gpu.cpp
even more define to static constexpr conversions
2024-01-25 02:17:28 -05:00
pair_amoeba_gpu.h
use consistent names and capitalization in comments
2023-08-03 10:59:31 -04:00
pair_beck_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_beck_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_coul_long_cs_gpu.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
pair_born_coul_long_cs_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_born_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_coul_wolf_cs_gpu.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
pair_born_coul_wolf_cs_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_coul_wolf_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_born_coul_wolf_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_born_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_buck_coul_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_buck_coul_cut_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_buck_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_buck_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_buck_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_buck_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_colloid_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_colloid_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_coul_cut_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_debye_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_coul_debye_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_dsf_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_coul_dsf_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_long_cs_gpu.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
pair_coul_long_cs_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_slater_long_gpu.cpp
silence warnings about unused variables
2023-12-11 23:15:13 -05:00
pair_coul_slater_long_gpu.h
Added the GPU version of coul/slater/long
2023-12-05 13:32:33 -06:00
pair_dpd_gpu.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
pair_dpd_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_dpd_tstat_gpu.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
pair_dpd_tstat_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_eam_alloy_gpu.cpp
enable and apply clang-format, remove redundant code, improve error message for EAM potential pair styles
2023-03-25 06:48:59 -04:00
pair_eam_alloy_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_eam_fs_gpu.cpp
enable and apply clang-format, remove redundant code, improve error message for EAM potential pair styles
2023-03-25 06:48:59 -04:00
pair_eam_fs_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_eam_gpu.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
pair_eam_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_edpd_gpu.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
pair_edpd_gpu.h
Added the GPU version of pair edpd and mdpd
2023-12-05 13:34:37 -06:00
pair_gauss_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_gauss_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_gayberne_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_gayberne_gpu.h
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_hippo_gpu.cpp
even more define to static constexpr conversions
2024-01-25 02:17:28 -05:00
pair_hippo_gpu.h
use consistent names and capitalization in comments
2023-08-03 10:59:31 -04:00
pair_lj96_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj96_cut_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_charmm_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_charmm_coul_charmm_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_charmm_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_class2_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_class2_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_class2_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_class2_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cubic_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cubic_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_coul_cut_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_cut_soft_gpu.cpp
Fixed typo with the kernel names in lj/cut/coul/cut/soft
2023-12-12 22:54:50 -06:00
pair_lj_cut_coul_cut_soft_gpu.h
Fixed typo in the pair style lj/cut/coul/cut/soft/gpu header
2023-12-12 20:15:05 -06:00
pair_lj_cut_coul_debye_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_coul_debye_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_dsf_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_coul_dsf_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_long_soft_gpu.cpp
silence warnings about unused variables
2023-12-11 23:15:13 -05:00
pair_lj_cut_coul_long_soft_gpu.h
update developer contact email
2023-12-11 13:43:13 -05:00
pair_lj_cut_coul_msm_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_coul_msm_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_dipole_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_dipole_cut_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_dipole_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_dipole_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_tip4p_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_tip4p_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_expand_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_expand_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_expand_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_expand_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_gromacs_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_gromacs_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_sf_dipole_sf_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_sf_dipole_sf_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_smooth_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_smooth_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_spica_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_spica_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_spica_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_spica_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_mdpd_gpu.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
pair_mdpd_gpu.h
Added the GPU version of pair edpd and mdpd
2023-12-05 13:34:37 -06:00
pair_mie_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_mie_cut_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_morse_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_morse_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_resquared_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_resquared_gpu.h
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_soft_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_soft_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_sph_heatconduction_gpu.cpp
remove unused parameter and silence compiler warnings
2024-01-18 22:55:02 -05:00
pair_sph_heatconduction_gpu.h
Added the GPU version of sph/heatconduction
2023-12-09 15:15:13 -06:00
pair_sph_lj_gpu.cpp
remove unused parameter and silence compiler warnings
2024-01-18 22:55:02 -05:00
pair_sph_lj_gpu.h
Added pair style sph/lj/gpu in src/GPU, removed commented codes
2023-12-07 14:33:47 -06:00
pair_sph_taitwater_gpu.cpp
remove unused parameter and silence compiler warnings
2024-01-18 22:55:02 -05:00
pair_sph_taitwater_gpu.h
Added pair sph/taitwater/gpu in src/GPU
2023-12-08 00:10:01 -06:00
pair_sw_gpu.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
pair_sw_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_table_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_table_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_tersoff_gpu.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
pair_tersoff_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_tersoff_mod_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_tersoff_mod_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_tersoff_zbl_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_tersoff_zbl_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_ufm_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_ufm_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_vashishta_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_vashishta_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_yukawa_colloid_gpu.cpp
remove sphere_flag and replace with radius_flag and omega_flag as needed
2024-01-19 12:50:31 -05:00
pair_yukawa_colloid_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_yukawa_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_yukawa_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_zbl_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_zbl_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pppm_gpu.cpp
some more define to static constexpr conversions
2024-01-24 21:14:19 -05:00
pppm_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
README
update docs and sources and for changes in this branch
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.