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c844de03efc7bd8eaa044ee3d1ea350d7550a2e4
lammps/src/KOKKOS
History
Stan Moore a392f212ee Fix issues in Kokkos fix qeq/reax
2020-07-15 15:49:26 -06:00
..
angle_charmm_kokkos.cpp
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
angle_charmm_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
angle_class2_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
angle_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
angle_cosine_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
angle_cosine_kokkos.h
Add Kokkos version of angle_cosine
2019-01-28 11:29:28 -07:00
angle_harmonic_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
angle_harmonic_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
atom_kokkos.cpp
get rid of snprintf() and local buffers in atom style creation
2020-06-04 10:45:24 -04:00
atom_kokkos.h
get rid of snprintf() and local buffers in atom style creation
2020-06-04 10:45:24 -04:00
atom_vec_angle_kokkos.cpp
update to current master
2020-04-30 11:57:17 -06:00
atom_vec_angle_kokkos.h
Propagate rename to Kokkos styles
2020-01-29 13:56:34 -07:00
atom_vec_atomic_kokkos.cpp
update to current master
2020-04-30 11:57:17 -06:00
atom_vec_atomic_kokkos.h
Propagate rename to Kokkos styles
2020-01-29 13:56:34 -07:00
atom_vec_bond_kokkos.cpp
update to current master
2020-04-30 11:57:17 -06:00
atom_vec_bond_kokkos.h
Propagate rename to Kokkos styles
2020-01-29 13:56:34 -07:00
atom_vec_charge_kokkos.cpp
update to current master
2020-04-30 11:57:17 -06:00
atom_vec_charge_kokkos.h
Propagate rename to Kokkos styles
2020-01-29 13:56:34 -07:00
atom_vec_dpd_kokkos.cpp
update to current master
2020-04-30 11:57:17 -06:00
atom_vec_dpd_kokkos.h
Propagate rename to Kokkos styles
2020-01-29 13:56:34 -07:00
atom_vec_full_kokkos.cpp
update to current master
2020-04-30 11:57:17 -06:00
atom_vec_full_kokkos.h
Propagate rename to Kokkos styles
2020-01-29 13:56:34 -07:00
atom_vec_hybrid_kokkos.cpp
Propagate rename to Kokkos styles
2020-01-29 13:56:34 -07:00
atom_vec_hybrid_kokkos.h
Propagate rename to Kokkos styles
2020-01-29 13:56:34 -07:00
atom_vec_kokkos.cpp
remove trailing whitespace
2020-05-08 01:33:16 -04:00
atom_vec_kokkos.h
reduce compiler warnings about unused parameters
2020-06-30 18:08:25 -04:00
atom_vec_molecular_kokkos.cpp
update to current master
2020-04-30 11:57:17 -06:00
atom_vec_molecular_kokkos.h
Propagate rename to Kokkos styles
2020-01-29 13:56:34 -07:00
atom_vec_sphere_kokkos.cpp
update to current master
2020-04-30 11:57:17 -06:00
atom_vec_sphere_kokkos.h
Propagate rename to Kokkos styles
2020-01-29 13:56:34 -07:00
bond_class2_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
bond_class2_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
bond_fene_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
bond_fene_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
bond_harmonic_kokkos.cpp
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
bond_harmonic_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
comm_kokkos.cpp
Support host execution
2020-03-27 15:19:40 -06:00
comm_kokkos.h
Fix thread safety issue in fused forward comm
2019-03-20 14:32:03 -06:00
comm_tiled_kokkos.cpp
Fix typo
2020-03-14 13:57:48 +09:00
comm_tiled_kokkos.h
change purge target in Makefile, also fixed one issue with Make.py
2016-09-30 09:17:55 -06:00
compute_coord_atom_kokkos.cpp
Remove Kokkos deprecated code
2020-04-24 12:52:46 -06:00
compute_coord_atom_kokkos.h
Fix typo
2020-02-25 10:34:29 -07:00
compute_orientorder_atom_kokkos.cpp
Port changes to Kokkos package
2020-06-19 14:44:13 -06:00
compute_orientorder_atom_kokkos.h
Update from master
2020-04-24 12:18:53 -06:00
compute_temp_kokkos.cpp
Add flag for Kokkos computes
2020-02-24 15:43:29 -07:00
compute_temp_kokkos.h
Making ComputeTempKokkos compatible with rmass in device memory.
2018-07-03 12:05:21 -04:00
dihedral_charmm_kokkos.cpp
Merge branch 'master' into kk_dihedral_charmm
2020-04-29 08:00:55 -06:00
dihedral_charmm_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
dihedral_class2_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
dihedral_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
dihedral_harmonic_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
dihedral_harmonic_kokkos.h
Add Kokkos verison of dihedral_harmonic
2019-09-09 11:16:31 -06:00
dihedral_opls_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
dihedral_opls_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
domain_kokkos.cpp
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
domain_kokkos.h
eliminate the use of the "using" keyword in headers of the KOKKOS package
2019-04-03 00:13:52 -04:00
fft3d_kokkos.cpp
Allow Kokkos remap to turn off Cuda-aware MPI
2020-05-01 12:09:32 -06:00
fft3d_kokkos.h
Allow Kokkos remap to turn off Cuda-aware MPI
2020-05-01 12:09:32 -06:00
fftdata_kokkos.h
fix KOKKOS bug for FFT_KISSFFT and FFT_SINGLE
2020-07-04 17:39:07 -04:00
fix_deform_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fix_deform_kokkos.h
Fixing execution space issues in KOKKOS package
2017-07-18 09:53:26 -06:00
fix_dpd_energy_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_dpd_energy_kokkos.h
member function containing lambdas must be public
2017-01-03 11:50:44 -07:00
fix_enforce2d_kokkos.cpp
Fix mismatches in CUDA execution space qualifiers between declarations and
2019-12-17 17:27:51 -08:00
fix_enforce2d_kokkos.h
Small tweaks to fix_enforce2d_kokkos
2018-07-11 12:39:04 -06:00
fix_eos_table_rx_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_eos_table_rx_kokkos.h
Fix typo
2020-03-14 13:57:48 +09:00
fix_freeze_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_freeze_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_gravity_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_gravity_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_langevin_kokkos.cpp
Fixed vfull tally bug in KOKKOS
2019-10-14 19:28:20 -07:00
fix_langevin_kokkos.h
fix misplaced fix_langevin_kokkos
2019-09-14 11:02:42 -07:00
fix_minimize_kokkos.cpp
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
fix_minimize_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
fix_momentum_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fix_momentum_kokkos.h
allow fix momentum angular with CUDA
2016-12-21 08:55:33 -07:00
fix_neigh_history_kokkos.cpp
Port changes to Kokkos package
2020-04-30 08:44:55 -06:00
fix_neigh_history_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_nh_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fix_nh_kokkos.h
Fix issues with rmass in KOKKOS package
2018-07-10 08:59:06 -06:00
fix_nph_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fix_nph_kokkos.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
fix_npt_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fix_npt_kokkos.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
fix_nve_kokkos.cpp
Merge branch 'master' into improve-include-consistency
2019-07-26 17:24:32 -04:00
fix_nve_kokkos.h
Fix runtime error in fix_nve_kokkos
2018-07-10 09:15:24 -06:00
fix_nve_sphere_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_nve_sphere_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_nvt_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fix_nvt_kokkos.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
fix_property_atom_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fix_property_atom_kokkos.h
Adding Kokkos version of fix_property_atom
2016-12-15 15:50:30 -07:00
fix_qeq_reax_kokkos.cpp
Fix issues in Kokkos fix qeq/reax
2020-07-15 15:49:26 -06:00
fix_qeq_reax_kokkos.h
Fix issues in Kokkos fix qeq/reax
2020-07-15 15:49:26 -06:00
fix_reaxc_bonds_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_reaxc_bonds_kokkos.h
Fixing execution space issues in KOKKOS package
2017-07-18 09:53:26 -06:00
fix_reaxc_species_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_reaxc_species_kokkos.h
Fixing execution space issues in KOKKOS package
2017-07-18 09:53:26 -06:00
fix_rx_kokkos.cpp
use utils::strmatch() in USER-DPD and KOKKOS for safer style matches
2020-04-13 13:38:38 -04:00
fix_rx_kokkos.h
Fix execution space issues
2017-08-25 14:45:47 -06:00
fix_setforce_kokkos.cpp
Merge branch 'master' into improve-include-consistency
2019-07-19 13:26:00 -04:00
fix_setforce_kokkos.h
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_shardlow_kokkos.cpp
Change Kokkos::Impl to std namespace
2020-03-25 13:58:12 -06:00
fix_shardlow_kokkos.h
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_wall_lj93_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fix_wall_lj93_kokkos.h
Fixing issue in fix_wall_lj93_kokkos
2017-03-03 10:49:15 -07:00
fix_wall_reflect_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fix_wall_reflect_kokkos.h
added examples/threebody, fix reaxc/speceies/kk
2016-11-04 10:56:04 -06:00
gridcomm_kokkos.cpp
Remove deprecated Kokkos code
2020-03-25 13:55:31 -06:00
gridcomm_kokkos.h
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
improper_class2_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
improper_class2_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
improper_harmonic_kokkos.cpp
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
improper_harmonic_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
Install.sh
Fix whitespace
2020-06-16 07:20:09 -04:00
kissfft_kokkos.cpp
Fix deprecated Kokkos code issue
2020-03-27 12:20:13 -06:00
kissfft_kokkos.h
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
kokkos_base_fft.h
make inclusion guard defines consistent with LAMMPS and avoid redefinition of MAX()
2020-01-30 16:56:02 -05:00
kokkos_base.h
Move FFT data types out of kokkos_type.h
2020-01-29 17:15:47 -07:00
kokkos_few.h
allow constructing Few from array on device
2016-12-21 09:21:11 -07:00
kokkos_type.h
silence compiler warnings
2020-07-01 09:39:37 -04:00
kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
kokkos.h
Add support for HPE MPI to Kokkos package
2019-09-09 10:14:30 -06:00
math_special_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
math_special_kokkos.h
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
memory_kokkos.h
Remove deprecated Kokkos code
2018-03-22 11:19:17 -06:00
min_cg_kokkos.cpp
C3 JT 041420
2020-04-14 15:22:20 -06:00
min_cg_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
min_kokkos.cpp
whitespace fix
2020-04-15 14:26:37 -04:00
min_kokkos.h
C3 JT 041420
2020-04-14 15:22:20 -06:00
min_linesearch_kokkos.cpp
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
min_linesearch_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
modify_kokkos.cpp
Fixing auto_sync logic bug in modify_kokkos
2017-04-26 10:49:20 -06:00
modify_kokkos.h
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
nbin_kokkos.cpp
Fix issue in Kokkos neighor binning when using non-Kokkos lists on GPUs
2019-07-09 09:43:50 -06:00
nbin_kokkos.h
first pass at implementing atom2bin for KOKKOS neighbor lists
2017-09-25 14:06:20 -05:00
nbin_ssa_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
nbin_ssa_kokkos.h
consolidate sorting functions
2017-03-06 15:28:25 -07:00
neigh_bond_kokkos.cpp
Don't reallocate views every time in neigh_bond_kokkos
2019-05-24 11:27:09 -06:00
neigh_bond_kokkos.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
neigh_list_kokkos.cpp
Add method to copy Kokkos neighbor list to CPU list
2020-02-26 14:26:46 -07:00
neigh_list_kokkos.h
Fix 32-bit integer overflow in Kokkos neighlist build
2020-05-11 15:11:24 -06:00
neighbor_kokkos.cpp
Fix issue in Kokkos neighor binning when using non-Kokkos lists on GPUs
2019-07-09 09:43:50 -06:00
neighbor_kokkos.h
Change default binsize for Kokkos if running on GPUs
2019-03-12 15:33:28 -06:00
npair_copy_kokkos.cpp
Tweak error message
2020-02-26 14:34:42 -07:00
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
Add method to copy Kokkos neighbor list to CPU list
2020-02-26 14:26:46 -07:00
npair_halffull_kokkos.h
Fix issues in Kokkos npair_halffull and npair_skip
2018-01-13 21:32:59 -07:00
npair_kokkos.cpp
Add change missed in cb2a9e4
2020-05-01 13:25:23 -06:00
npair_kokkos.h
Clear sharedsize for flat method
2020-04-24 10:10:22 -06:00
npair_skip_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
npair_skip_kokkos.h
Fix issues in Kokkos npair_halffull and npair_skip
2018-01-13 21:32:59 -07:00
npair_ssa_kokkos.cpp
Merge branch 'master' of github.com:lammps/lammps into kk_copycpu
2020-04-24 12:33:05 -06:00
npair_ssa_kokkos.h
USER-DPD Kokkos: propagate the new neigh_modify options from efaa4c67
2017-10-16 13:37:27 -05:00
pack_kokkos.h
Remove deprecated Kokkos code
2020-03-25 13:55:31 -06:00
pair_buck_coul_cut_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_buck_coul_cut_kokkos.h
Fixing typo in pair_buck_coul_cut_kokkos
2017-02-02 15:21:05 -07:00
pair_buck_coul_long_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_buck_coul_long_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_buck_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_buck_kokkos.h
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_coul_cut_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_coul_cut_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_coul_debye_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_coul_debye_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_coul_dsf_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_coul_dsf_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_coul_long_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_coul_long_kokkos.h
Merge pull request #373 from stanmoore1/kk_more_bugfixes
2017-02-03 14:45:31 -07:00
pair_coul_wolf_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_coul_wolf_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_dpd_fdt_energy_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_dpd_fdt_energy_kokkos.h
Merge branch 'master' into granular-kokkos
2018-08-02 10:11:50 +02:00
pair_eam_alloy_kokkos.cpp
use consistently the name of the (unaccelerated) pair style in the potential file reader error messages
2020-07-02 23:23:25 -04:00
pair_eam_alloy_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
pair_eam_fs_kokkos.cpp
use consistently the name of the (unaccelerated) pair style in the potential file reader error messages
2020-07-02 23:23:25 -04:00
pair_eam_fs_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
pair_eam_kokkos.cpp
refactor EAM family of potentials to convert the potential data and leave compute functions alone
2020-06-25 15:48:46 -04:00
pair_eam_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
pair_exp6_rx_kokkos.cpp
Replace Atom::count_words with utils::count_words
2020-05-20 15:53:19 -04:00
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
Port changes to Kokkos package
2020-04-30 08:44:55 -06:00
pair_gran_hooke_history_kokkos.h
some more whitespace cleanup
2019-09-17 12:05:04 -04:00
pair_hybrid_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_hybrid_overlay_kokkos.h
KOKKOS: fix a compile-time error caused by merge of patch 21Feb17
2017-02-22 11:52:20 -05:00
pair_kokkos.h
make definition consistent and silence a whole bunch of warnings from recent clang versions
2020-06-05 11:52:06 -04:00
pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_lj_charmm_coul_charmm_implicit_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_charmm_coul_charmm_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_lj_charmm_coul_charmm_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_charmm_coul_long_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_lj_charmm_coul_long_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_class2_coul_cut_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_lj_class2_coul_cut_kokkos.h
Adding missing friend statement to pair_lj_class2_coul_cut_kokkos
2017-02-02 15:21:30 -07:00
pair_lj_class2_coul_long_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_lj_class2_coul_long_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_class2_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_lj_class2_kokkos.h
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_lj_cut_coul_cut_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_lj_cut_coul_cut_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_lj_cut_coul_debye_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_lj_cut_coul_debye_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_lj_cut_coul_dsf_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_lj_cut_coul_dsf_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_lj_cut_coul_long_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_lj_cut_coul_long_kokkos.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
pair_lj_cut_kokkos.cpp
Comment cleanup
2020-04-28 10:39:31 -06:00
pair_lj_cut_kokkos.h
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_lj_expand_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_lj_expand_kokkos.h
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_lj_gromacs_coul_gromacs_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_lj_gromacs_coul_gromacs_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_gromacs_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_lj_gromacs_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_sdk_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_lj_sdk_kokkos.h
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_morse_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_morse_kokkos.h
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_multi_lucy_rx_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_multi_lucy_rx_kokkos.h
Add multiple inheritance to pair_multi_lucy_rx_kokkos
2017-12-04 10:43:41 -07:00
pair_reaxc_kokkos.cpp
Fix issue with Kokkos ReaxFF and pair hybrid
2020-07-14 09:02:57 -06:00
pair_reaxc_kokkos.h
Fix issue with Kokkos ReaxFF and pair hybrid
2020-07-14 09:02:57 -06:00
pair_snap_kokkos_impl.h
remove trailing whitespace
2020-06-30 17:48:18 -04:00
pair_snap_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
pair_snap_kokkos.h
Optimizations to Compute[Yi/Zi/Bi], switching over to an AoSoA data layout on the GPU. CPU vs GPU code paths are now maximally divergent, will include some discussion of that in PR. Small performance tweaks in Compute[UiTot/FusedDeidrj].
2020-06-19 14:12:29 -04:00
pair_sw_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_sw_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
pair_table_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_table_kokkos.h
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_table_rx_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
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
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_tersoff_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
pair_tersoff_mod_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_tersoff_mod_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
pair_tersoff_zbl_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_tersoff_zbl_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
pair_vashishta_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_vashishta_kokkos.h
Fix compiler warnings
2018-03-14 13:27:03 -06:00
pair_yukawa_kokkos.cpp
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
pair_yukawa_kokkos.h
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_zbl_kokkos.cpp
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_zbl_kokkos.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pppm_kokkos.cpp
more application of fmtlib and utils::logmesg()
2020-07-04 08:25:24 -04:00
pppm_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
rand_pool_wrap_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
rand_pool_wrap_kokkos.h
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
README
fix typo, update maintainer.
2020-01-22 17:00:10 -05:00
region_block_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
region_block_kokkos.h
Use multiple inheritance to remove accelerator_kokkos.h out of region.h and kspace.h
2017-12-01 10:18:22 -07:00
remap_kokkos.cpp
Allow Kokkos remap to turn off Cuda-aware MPI
2020-05-01 12:09:32 -06:00
remap_kokkos.h
Allow Kokkos remap to turn off Cuda-aware MPI
2020-05-01 12:09:32 -06:00
sna_kokkos_impl.h
silence compiler warnings
2020-07-01 05:53:46 -04:00
sna_kokkos.h
remove trailing whitespace
2020-06-30 17:48:18 -04:00
verlet_kokkos.cpp
whitespace cleanup: remove (evil) tabs
2019-11-03 11:01:42 -05:00
verlet_kokkos.h
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
2018-02-22 07:53:58 -05:00

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).