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lammps/src/KOKKOS
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Axel Kohlmeyer b6498c8b9b Merge pull request #2665 from masterleinad/kokkos_sycl 
Allow compiling with SYCL
2021-03-18 11:27:42 -04:00
..
angle_charmm_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
angle_charmm_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
angle_class2_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
angle_class2_kokkos.h
…
angle_cosine_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
angle_cosine_kokkos.h
…
angle_harmonic_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
angle_harmonic_kokkos.h
…
atom_kokkos.cpp
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
atom_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
atom_vec_angle_kokkos.cpp
Fix issues with 'modify' in unpack_border
2021-01-11 10:29:03 -07:00
atom_vec_angle_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_atomic_kokkos.cpp
Fix issues with 'modify' in unpack_border
2021-01-11 10:29:03 -07:00
atom_vec_atomic_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_bond_kokkos.cpp
Fix issues with 'modify' in unpack_border
2021-01-11 10:29:03 -07:00
atom_vec_bond_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_charge_kokkos.cpp
Fix issues with 'modify' in unpack_border
2021-01-11 10:29:03 -07:00
atom_vec_charge_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_dpd_kokkos.cpp
fix another border communication issue in KOKKOS version of atom style dpd
2021-02-02 17:27:29 -05:00
atom_vec_dpd_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_full_kokkos.cpp
Fix issues with 'modify' in unpack_border
2021-01-11 10:29:03 -07:00
atom_vec_full_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_hybrid_kokkos.cpp
Fix issues with 'modify' in unpack_border
2021-01-11 10:29:03 -07:00
atom_vec_hybrid_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_kokkos.cpp
Fix sync/modify issue in Kokkos atom_vec
2021-01-28 14:56:51 -07:00
atom_vec_kokkos.h
more consistent formatting for conditionals and loops
2021-01-05 15:42:35 -05:00
atom_vec_molecular_kokkos.cpp
Fix issues with 'modify' in unpack_border
2021-01-11 10:29:03 -07:00
atom_vec_molecular_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_sphere_kokkos.cpp
Fix issues with 'modify' in unpack_border
2021-01-11 10:29:03 -07:00
atom_vec_sphere_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
bond_class2_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
bond_class2_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
bond_fene_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
bond_fene_kokkos.h
…
bond_harmonic_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
bond_harmonic_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
comm_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
comm_kokkos.h
Small tweaks
2020-12-22 14:47:41 -07:00
comm_tiled_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
comm_tiled_kokkos.h
…
compute_coord_atom_kokkos.cpp
put consistent definition of INVOKED_* constants as enumerator into compute.h
2021-01-31 20:13:47 -05:00
compute_coord_atom_kokkos.h
Fix typo
2020-02-25 10:34:29 -07:00
compute_orientorder_atom_kokkos.cpp
silence compiler warnings
2021-02-08 20:19:01 -05:00
compute_orientorder_atom_kokkos.h
Update from master
2020-04-24 12:18:53 -06:00
compute_temp_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_temp_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
dihedral_charmm_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
dihedral_charmm_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
dihedral_class2_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
dihedral_class2_kokkos.h
…
dihedral_harmonic_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
dihedral_harmonic_kokkos.h
Add Kokkos verison of dihedral_harmonic
2019-09-09 11:16:31 -06:00
dihedral_opls_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
dihedral_opls_kokkos.h
…
domain_kokkos.cpp
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
domain_kokkos.h
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
fft3d_kokkos.cpp
Cleanup
2021-01-07 21:49:25 -07:00
fft3d_kokkos.h
FFT changes for KOKKOS
2020-12-16 15:05:38 -07:00
fftdata_kokkos.h
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
fix_deform_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_deform_kokkos.h
…
fix_dpd_energy_kokkos.cpp
whitespace
2021-01-22 08:55:20 -07:00
fix_dpd_energy_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_enforce2d_kokkos.cpp
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
fix_enforce2d_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_eos_table_rx_kokkos.cpp
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
fix_eos_table_rx_kokkos.h
Fix typo
2020-03-14 13:57:48 +09:00
fix_freeze_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_freeze_kokkos.h
…
fix_gravity_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_gravity_kokkos.h
…
fix_langevin_kokkos.cpp
don't access uninitialized data and avoid shadowing a class member variable
2021-02-08 20:19:22 -05:00
fix_langevin_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
fix_minimize_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_minimize_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
fix_momentum_kokkos.cpp
whitespace
2021-01-22 08:55:20 -07:00
fix_momentum_kokkos.h
…
fix_neigh_history_kokkos.cpp
silence compiler warnings
2021-02-08 20:19:01 -05:00
fix_neigh_history_kokkos.h
…
fix_nh_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_nh_kokkos.h
…
fix_nph_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_nph_kokkos.h
…
fix_npt_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_npt_kokkos.h
…
fix_nve_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_nve_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_nve_sphere_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_nve_sphere_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_nvt_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_nvt_kokkos.h
…
fix_property_atom_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_property_atom_kokkos.h
…
fix_qeq_reax_kokkos.cpp
add typecast to avoid (unlikely but possible) integer overflows.
2021-02-02 17:27:04 -05:00
fix_qeq_reax_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
fix_reaxc_bonds_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_reaxc_bonds_kokkos.h
…
fix_reaxc_species_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_reaxc_species_kokkos.h
…
fix_rx_kokkos.cpp
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
fix_rx_kokkos.h
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_setforce_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_setforce_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
fix_shake_kokkos.cpp
Merge branch 'master' into thermo-energy
2021-01-26 18:37:05 -05:00
fix_shake_kokkos.h
Fix GPU memory issues
2020-10-26 12:42:26 -06:00
fix_shardlow_kokkos.cpp
add typecast to avoid (unlikely but possible) integer overflows.
2021-02-02 17:27:04 -05:00
fix_shardlow_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
fix_wall_lj93_kokkos.cpp
recover from compilation failures
2021-01-26 18:31:23 -05:00
fix_wall_lj93_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_wall_reflect_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_wall_reflect_kokkos.h
…
gridcomm_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
gridcomm_kokkos.h
major whitespace cleanup
2020-08-19 18:46:35 -04:00
improper_class2_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
improper_class2_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
improper_harmonic_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
improper_harmonic_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
Install.sh
Add Kokkos support for fix shake and forward comm on Device
2020-10-22 11:59:41 -06:00
kissfft_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
kissfft_kokkos.h
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
kokkos_base_fft.h
Port changes to PPPMKokkos
2020-08-18 16:06:43 -06:00
kokkos_base.h
Add Kokkos support for fix shake and forward comm on Device
2020-10-22 11:59:41 -06:00
kokkos_few.h
…
kokkos_type.h
Reset LAMMPS_LAMBDA to KOKKOS_LAMBDA
2021-03-18 14:19:57 +00:00
kokkos.cpp
Allow compiling with SYCL
2021-03-16 21:04:51 +00:00
kokkos.h
Cleanup
2020-12-22 14:22:41 -07:00
math_special_kokkos.cpp
update outdated URLs
2020-10-21 17:03:46 -04:00
math_special_kokkos.h
…
memory_kokkos.h
more consistent formatting for conditionals and loops
2021-01-05 15:42:35 -05:00
min_cg_kokkos.cpp
Merge pull request #2444 from stanmoore1/kk_global_dof
2020-10-26 17:07:27 -04:00
min_cg_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
min_kokkos.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
min_kokkos.h
C3 JT 041420
2020-04-14 15:22:20 -06:00
min_linesearch_kokkos.cpp
Merge pull request #2444 from stanmoore1/kk_global_dof
2020-10-26 17:07:27 -04:00
min_linesearch_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
modify_kokkos.cpp
Uncomment Kokkos code
2021-02-08 14:14:38 -07:00
modify_kokkos.h
recover from compilation failures
2021-01-26 18:31:23 -05:00
nbin_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
nbin_kokkos.h
…
nbin_ssa_kokkos.cpp
whitespace
2021-01-22 08:55:20 -07:00
nbin_ssa_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
neigh_bond_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
neigh_bond_kokkos.h
…
neigh_list_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
neigh_list_kokkos.h
Add workaround for performance regression
2020-09-17 16:33:48 -06:00
neighbor_kokkos.cpp
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
neighbor_kokkos.h
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
npair_copy_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_copy_kokkos.h
Add method to copy Kokkos neighbor list to CPU list
2020-02-26 14:26:46 -07:00
npair_halffull_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_halffull_kokkos.h
…
npair_kokkos.cpp
Merge pull request #2665 from masterleinad/kokkos_sycl
2021-03-18 11:27:42 -04:00
npair_kokkos.h
Define LAMMPS_DEVICE_FUNCTION
2021-03-16 22:20:47 +00:00
npair_skip_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_skip_kokkos.h
…
npair_ssa_kokkos.cpp
whitespace
2021-01-22 08:55:20 -07:00
npair_ssa_kokkos.h
Remove unneeded UVM code
2020-12-22 13:16:58 -07:00
pack_kokkos.h
Remove deprecated Kokkos code
2020-03-25 13:55:31 -06:00
pair_buck_coul_cut_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_buck_coul_cut_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_buck_coul_long_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_buck_coul_long_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_buck_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_buck_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_coul_cut_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_coul_cut_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_coul_debye_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_coul_debye_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_coul_dsf_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_coul_dsf_kokkos.h
…
pair_coul_long_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_coul_long_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_coul_wolf_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_coul_wolf_kokkos.h
…
pair_dpd_fdt_energy_kokkos.cpp
Define LAMMPS_DEVICE_FUNCTION
2021-03-16 22:20:47 +00:00
pair_dpd_fdt_energy_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_eam_alloy_kokkos.cpp
silence compiler warnings and remove dead code
2021-01-16 15:46:42 -05:00
pair_eam_alloy_kokkos.h
Update other EAM styles
2020-10-22 12:44:48 -06:00
pair_eam_fs_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_eam_fs_kokkos.h
Update other EAM styles
2020-10-22 12:44:48 -06:00
pair_eam_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_eam_kokkos.h
Kokkos EAM tweaks for V100
2020-10-21 14:07:46 -06:00
pair_exp6_rx_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_exp6_rx_kokkos.h
Fix runtime issues with pair_exp6_rx_kokkos
2020-03-26 17:12:08 -06:00
pair_gran_hooke_history_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_gran_hooke_history_kokkos.h
some more whitespace cleanup
2019-09-17 12:05:04 -04:00
pair_hybrid_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_hybrid_kokkos.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
pair_hybrid_overlay_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_hybrid_overlay_kokkos.h
…
pair_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_charmm_coul_charmm_implicit_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_charmm_coul_charmm_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_charmm_coul_charmm_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_charmm_coul_long_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_charmm_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_class2_coul_cut_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_class2_coul_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_class2_coul_long_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_class2_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_class2_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_class2_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_lj_cut_coul_cut_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_cut_coul_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_cut_coul_debye_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_cut_coul_debye_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_cut_coul_dsf_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_cut_coul_dsf_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_cut_coul_long_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_cut_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_cut_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_cut_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_lj_expand_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_expand_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_lj_gromacs_coul_gromacs_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_gromacs_coul_gromacs_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_lj_gromacs_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_gromacs_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_lj_sdk_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_lj_sdk_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_morse_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_morse_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_multi_lucy_rx_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_multi_lucy_rx_kokkos.h
…
pair_reaxc_kokkos.cpp
add typecast to avoid (unlikely but possible) integer overflows.
2021-02-02 17:27:04 -05:00
pair_reaxc_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_snap_kokkos_impl.h
Various cleanup in Kokkos SNAP, replacing verbose Kokkos MDRangePolicy and TeamPolicy types with simpler using definitions. No performance implications.
2021-02-10 16:07:11 -05:00
pair_snap_kokkos.cpp
Further optimized algorithm for computing the Wigner U matrices and derivatives thereof. Replaced explicit double within the SNAP kernels with a compile-time "real" type. Optimized GPU compressed neighbor build within SNAP.
2020-12-29 14:23:58 -05:00
pair_snap_kokkos.h
Re-tune tile size for Kokkos SNAP ComputeYi/Zi.
2021-02-10 16:51:06 -05:00
pair_sw_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_sw_kokkos.h
Changes needed for Kokkos v3.2
2020-08-21 14:45:12 -05:00
pair_table_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_table_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_table_rx_kokkos.cpp
whitespace
2021-01-22 08:55:20 -07:00
pair_table_rx_kokkos.h
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_tersoff_kokkos.cpp
Merge branch 'master' into tersoff-shift
2021-01-11 04:30:11 -05:00
pair_tersoff_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_tersoff_mod_kokkos.cpp
Merge branch 'master' into tersoff-shift
2021-01-11 04:30:11 -05:00
pair_tersoff_mod_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_tersoff_zbl_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_tersoff_zbl_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_vashishta_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_vashishta_kokkos.h
…
pair_yukawa_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_yukawa_kokkos.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_zbl_kokkos.cpp
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
pair_zbl_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pppm_kokkos.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
pppm_kokkos.h
Port changes to PPPMKokkos
2020-08-18 16:06:43 -06:00
rand_pool_wrap_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
rand_pool_wrap_kokkos.h
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
README
fix typo, update maintainer.
2020-01-22 17:00:10 -05:00
region_block_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
region_block_kokkos.h
…
remap_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
remap_kokkos.h
Allow Kokkos remap to turn off Cuda-aware MPI
2020-05-01 12:09:32 -06:00
sna_kokkos_impl.h
Fix compiler error uncovered by a host-only Kokkos build
2021-02-10 22:26:40 -05:00
sna_kokkos.h
Replace runtime direction in Kokkos SNAP ComputeFusedDeidrj with compile time templated version.
2021-02-10 14:33:52 -05:00
verlet_kokkos.cpp
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
verlet_kokkos.h
…

README 

This package implements optimizations of various LAMMPS styles using
the Kokkos library, which is part of Trilinos
(http://trilinos.sandia.gov/packages/kokkos).  It's a templated C++
library that provides two key abstractions for an application like
LAMMPS.  First, it allows a single implementation of an application
kernel (e.g. a pair style) to run efficiently on different kinds of
hardware, such as a GPU, Intel Phi, or many-core chip.

This package uses an external library in lib/kokkos.  However the
"library" is mostly header files and is auto-built when building
LAMMPS with this package installed, so no special pre-build of the
library is necessary.  See the lib/kokkos/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.

This package was developed primarily by Christian Trott (Sandia) with
contributions of various styles by others, including Sikandar Mashayak
(UIUC).  It is now maintained by Stan Moore (Sandia).  The underlying
Kokkos library was written primarily by Carter Edwards,
 Christian Trott, and Dan Sunderland (all Sandia).