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lammps/src/GPU
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Axel Kohlmeyer 1aa8b64283 convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
..
fix_gpu.cpp
Cleaned up comments in fix_gpu.cpp
2021-11-20 08:38:13 -06:00
fix_gpu.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nh_gpu.cpp
a few more (final?) IWYU updates
2021-09-19 09:41:23 -04:00
fix_nh_gpu.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_npt_gpu.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt_gpu.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nve_asphere_gpu.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_asphere_gpu.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
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
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nvt_gpu.cpp
more iwyu header updates
2021-09-18 21:24:01 -04:00
fix_nvt_gpu.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
gpu_extra.h
add check and suitable error message when fp64 is required but not available
2021-09-24 12:17:58 -04:00
Install.sh
add missing dependency
2021-08-09 16:28:03 -04:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_eam_alloy_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_eam_alloy_gpu.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_eam_fs_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_eam_fs_gpu.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_eam_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_eam_gpu.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_gayberne_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_gayberne_gpu.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_tip4p_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_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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_sdk_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_sdk_coul_long_gpu.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_sdk_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_lj_sdk_gpu.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_resquared_gpu.cpp
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
pair_resquared_gpu.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pppm_gpu.cpp
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
pppm_gpu.h
Apply override to KSpace classes
2022-01-20 17:14:33 -05:00
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.