ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity
Files
0dc3bccb95f8d836690266bbfcd4d4ccfc67baf6
lammps/src/GPU
History
Vsevak 546d5a9a2d Rewrite cell_size w/o sqrt
2022-08-25 18:11:43 +03:00
..
fix_gpu.cpp
One minor typo in fix_gpu.cpp; still trying to figure out what's tripping the non-compile elsewhere
2022-08-13 17:49:39 -05:00
fix_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nh_gpu.cpp
work around issues with Intel compilers compiling the GPU package
2022-07-16 10:26:56 -04:00
fix_nh_gpu.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
fix_npt_gpu.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nve_asphere_gpu.cpp
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
fix_nve_asphere_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nve_gpu.cpp
address segfault issue with fix nve/gpu when group is not "all"
2021-12-29 14:06:22 -05:00
fix_nve_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nvt_gpu.cpp
more iwyu header updates
2021-09-18 21:24:01 -04:00
fix_nvt_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
gpu_extra.h
clang-format update
2022-04-23 13:08:11 -04:00
Install.sh
changed file names and added a lj12-5 function type in GPU pkg.
2022-07-08 18:04:04 +09:00
pair_beck_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_beck_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_born_coul_long_cs_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_born_coul_long_cs_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_born_coul_long_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_born_coul_long_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_born_coul_wolf_cs_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_born_coul_wolf_cs_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_born_coul_wolf_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_born_coul_wolf_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_born_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_born_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_buck_coul_cut_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_buck_coul_cut_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_buck_coul_long_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_buck_coul_long_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_buck_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_buck_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_colloid_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_colloid_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_coul_cut_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_coul_cut_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_coul_debye_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_coul_debye_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_coul_dsf_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_coul_dsf_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_coul_long_cs_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_coul_long_cs_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_coul_long_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_coul_long_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_dpd_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_dpd_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_dpd_tstat_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_dpd_tstat_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_eam_alloy_gpu.cpp
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
pair_eam_alloy_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_eam_fs_gpu.cpp
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
pair_eam_fs_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_eam_gpu.cpp
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
pair_eam_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_gauss_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_gauss_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_gayberne_gpu.cpp
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
pair_gayberne_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj96_cut_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj96_cut_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_charmm_coul_charmm_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_charmm_coul_charmm_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_charmm_coul_long_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_charmm_coul_long_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_class2_coul_long_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_class2_coul_long_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_class2_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_class2_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cubic_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_cubic_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_coul_cut_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_cut_coul_cut_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_coul_debye_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_cut_coul_debye_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_coul_dsf_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_cut_coul_dsf_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_coul_long_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_cut_coul_long_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_coul_msm_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_cut_coul_msm_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_dipole_cut_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_cut_dipole_cut_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_dipole_long_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_cut_dipole_long_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_cut_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_tip4p_long_gpu.cpp
Rewrite cell_size w/o sqrt
2022-08-25 18:11:43 +03:00
pair_lj_cut_tip4p_long_gpu.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_expand_coul_long_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_expand_coul_long_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_expand_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_expand_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_gromacs_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_gromacs_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_sf_dipole_sf_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_sf_dipole_sf_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_smooth_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_smooth_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_spica_coul_long_gpu.cpp
changed file names and added a lj12-5 function type in GPU pkg.
2022-07-08 18:04:04 +09:00
pair_lj_spica_coul_long_gpu.h
changed file names and added a lj12-5 function type in GPU pkg.
2022-07-08 18:04:04 +09:00
pair_lj_spica_gpu.cpp
changed file names and added a lj12-5 function type in GPU pkg.
2022-07-08 18:04:04 +09:00
pair_lj_spica_gpu.h
changed file names and added a lj12-5 function type in GPU pkg.
2022-07-08 18:04:04 +09:00
pair_mie_cut_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_mie_cut_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_morse_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_morse_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_resquared_gpu.cpp
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
pair_resquared_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_soft_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_soft_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_sw_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_sw_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_table_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_table_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_tersoff_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_tersoff_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_tersoff_mod_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_tersoff_mod_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_tersoff_zbl_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_tersoff_zbl_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_ufm_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_ufm_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_vashishta_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_vashishta_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_yukawa_colloid_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_yukawa_colloid_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_yukawa_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_yukawa_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_zbl_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_zbl_gpu.h
clang-format update
2022-04-23 13:08:11 -04:00
pppm_gpu.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pppm_gpu.h
clang-format update
2022-04-23 13:08:11 -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.