ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity
Files
aeb3e203850d314c8dce4f533d37a93100b94c14
lammps/src/KOKKOS
History
Stan Moore e0c74a30bc Fix MV2 env variable
2020-08-21 11:08:49 -06:00
..
angle_charmm_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
angle_charmm_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
angle_class2_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
angle_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
angle_cosine_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
angle_cosine_kokkos.h
Add Kokkos version of angle_cosine
2019-01-28 11:29:28 -07:00
angle_harmonic_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
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
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -04:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
bond_class2_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
bond_fene_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
bond_fene_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
bond_harmonic_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
bond_harmonic_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
comm_kokkos.cpp
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
compute_coord_atom_kokkos.h
Fix typo
2020-02-25 10:34:29 -07:00
compute_orientorder_atom_kokkos.cpp
silence a few more compiler warnings and remove dead code
2020-08-13 20:13:51 -04:00
compute_orientorder_atom_kokkos.h
Update from master
2020-04-24 12:18:53 -06:00
compute_temp_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
compute_temp_kokkos.h
Making ComputeTempKokkos compatible with rmass in device memory.
2018-07-03 12:05:21 -04:00
dihedral_charmm_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
dihedral_charmm_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
dihedral_class2_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
dihedral_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
dihedral_harmonic_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
dihedral_harmonic_kokkos.h
Add Kokkos verison of dihedral_harmonic
2019-09-09 11:16:31 -06:00
dihedral_opls_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
fft3d_kokkos.h
Allow Kokkos remap to turn off Cuda-aware MPI
2020-05-01 12:09:32 -06:00
fftdata_kokkos.h
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
fix_dpd_energy_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_enforce2d_kokkos.cpp
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
fix_enforce2d_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_eos_table_rx_kokkos.cpp
reduce compiler warnings in KOKKOS version of USER-DPD code
2020-08-13 20:54:06 -04:00
fix_eos_table_rx_kokkos.h
Fix typo
2020-03-14 13:57:48 +09:00
fix_freeze_kokkos.cpp
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -04:00
fix_freeze_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_gravity_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
fix_gravity_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_langevin_kokkos.cpp
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -04:00
fix_langevin_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
fix_momentum_kokkos.h
allow fix momentum angular with CUDA
2016-12-21 08:55:33 -07:00
fix_neigh_history_kokkos.cpp
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -04:00
fix_neigh_history_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_nh_kokkos.cpp
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
fix_nve_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_nve_sphere_kokkos.cpp
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
fix_nve_sphere_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_nvt_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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 loop control bug in qeq/reax/kk
2020-08-13 16:30:12 -04:00
fix_qeq_reax_kokkos.h
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -04:00
fix_reaxc_bonds_kokkos.cpp
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -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
reduce compiler warnings in KOKKOS version of USER-DPD code
2020-08-13 20:54:06 -04:00
fix_rx_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_setforce_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
fix_setforce_kokkos.h
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_shardlow_kokkos.cpp
reduce compiler warnings in KOKKOS version of USER-DPD code
2020-08-13 20:54:06 -04:00
fix_shardlow_kokkos.h
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
fix_wall_lj93_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
fix_wall_reflect_kokkos.h
added examples/threebody, fix reaxc/speceies/kk
2016-11-04 10:56:04 -06:00
gridcomm_kokkos.cpp
fix whitespace issue
2020-08-20 15:51:41 -04:00
gridcomm_kokkos.h
major whitespace cleanup
2020-08-19 18:46:35 -04:00
improper_class2_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
improper_class2_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
improper_harmonic_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
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
Fix warning with #pragma unroll
2020-08-18 11:13:50 -06:00
kokkos.cpp
Fix MV2 env variable
2020-08-21 11:08:49 -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
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
nbin_kokkos.h
first pass at implementing atom2bin for KOKKOS neighbor lists
2017-09-25 14:06:20 -05:00
nbin_ssa_kokkos.cpp
reduce compiler warnings in KOKKOS version of USER-DPD code
2020-08-13 20:54:06 -04:00
nbin_ssa_kokkos.h
consolidate sorting functions
2017-03-06 15:28:25 -07:00
neigh_bond_kokkos.cpp
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
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
silence some more signedness warnings
2020-08-18 15:28:02 -04:00
neigh_list_kokkos.h
Fix 32-bit integer overflow in Kokkos neighlist build
2020-05-11 15:11:24 -06:00
neighbor_kokkos.cpp
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
neighbor_kokkos.h
Change default binsize for Kokkos if running on GPUs
2019-03-12 15:33:28 -06:00
npair_copy_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
npair_halffull_kokkos.h
Fix issues in Kokkos npair_halffull and npair_skip
2018-01-13 21:32:59 -07:00
npair_kokkos.cpp
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
npair_kokkos.h
reorder initialization
2020-08-18 15:26:37 -04:00
npair_skip_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
silence some more unused parameter/variable warnings
2020-08-18 15:28:23 -04:00
npair_ssa_kokkos.h
reorder initialization in constructor to silence compiler warnings
2020-08-18 15:47:03 -04:00
pack_kokkos.h
Remove deprecated Kokkos code
2020-03-25 13:55:31 -06:00
pair_buck_coul_cut_kokkos.cpp
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -04:00
pair_buck_coul_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_buck_coul_long_kokkos.cpp
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
pair_buck_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_buck_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_buck_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_cut_kokkos.cpp
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
pair_coul_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_debye_kokkos.cpp
silence a few more compiler warnings and remove dead code
2020-08-13 20:13:51 -04:00
pair_coul_debye_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_dsf_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
pair_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_wolf_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_dpd_fdt_energy_kokkos.h
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
pair_eam_alloy_kokkos.cpp
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
pair_eam_alloy_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
pair_eam_fs_kokkos.cpp
silence some more signedness warnings
2020-08-18 15:28:02 -04:00
pair_eam_fs_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
pair_eam_kokkos.cpp
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
pair_eam_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
pair_exp6_rx_kokkos.cpp
protect pragmas with ifdefs
2020-08-18 15:39:44 -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
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
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 all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
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
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
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
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
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
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
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
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_lj_class2_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_cut_coul_cut_kokkos.cpp
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
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
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
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
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
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
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_lj_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_expand_kokkos.cpp
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
pair_lj_expand_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_gromacs_coul_gromacs_kokkos.cpp
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
pair_lj_gromacs_coul_gromacs_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_gromacs_kokkos.cpp
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
pair_lj_gromacs_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_sdk_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_lj_sdk_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_morse_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_morse_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_multi_lucy_rx_kokkos.cpp
silence some more unused parameter/variable warnings
2020-08-18 15:28:23 -04:00
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
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
pair_reaxc_kokkos.h
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
pair_snap_kokkos_impl.h
major whitespace cleanup
2020-08-19 18:46:35 -04:00
pair_snap_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_snap_kokkos.h
Added support for symmetrized memory layouts for ui/duidrj for the CPU- and GPU-path SNAP Kokkos implementation, various perf optimizations for ComputeUi/ComputeFusedDeidrj
2020-08-12 16:15:06 -04:00
pair_sw_kokkos.cpp
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
pair_sw_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
pair_table_kokkos.cpp
reduce compiler warnings in KOKKOS version of USER-DPD code
2020-08-13 20:54:06 -04:00
pair_table_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_table_rx_kokkos.cpp
silence some more unused parameter/variable warnings
2020-08-18 15:28:23 -04:00
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
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
pair_tersoff_kokkos.h
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
pair_tersoff_mod_kokkos.cpp
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
pair_tersoff_mod_kokkos.h
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
pair_tersoff_zbl_kokkos.cpp
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
pair_tersoff_zbl_kokkos.h
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
pair_vashishta_kokkos.cpp
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
pair_vashishta_kokkos.h
Fix compiler warnings
2018-03-14 13:27:03 -06:00
pair_yukawa_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_yukawa_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_zbl_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_zbl_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pppm_kokkos.cpp
Merge branch 'master' into gridcomm-tiled
2020-08-20 17:58:35 -04:00
pppm_kokkos.h
Port changes to PPPMKokkos
2020-08-18 16:06:43 -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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
README
fix typo, update maintainer.
2020-01-22 17:00:10 -05:00
region_block_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -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
Merge branch 'master' into gridcomm-tiled
2020-08-20 17:58:35 -04:00
sna_kokkos.h
major whitespace cleanup
2020-08-19 18:46:35 -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).