lammps/KOKKOS at 5a341bee098341ceaa3fa74cfc2f4340bdaa15e9 - lammps - Gitea of icode group

ICODE-ADC/lammps

Files

History

Axel Kohlmeyer 47e2ca6eb2 apply bugfix to reaxff taper function as described in issue #828

2018-03-07 09:52:14 -05:00

..

angle_charmm_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

angle_charmm_kokkos.h

remove executable permissions on non-executables and non-scripts

2016-09-08 14:45:07 -04:00

angle_class2_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

angle_class2_kokkos.h

Fix a few issues with Kokkos class2 files

2017-02-15 12:44:54 -07:00

angle_harmonic_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

angle_harmonic_kokkos.h

remove executable permissions on non-executables and non-scripts

2016-09-08 14:45:07 -04:00

atom_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

atom_kokkos.h

Add Kokkos version of atom_vec_hybrid_kokkos, without CUDA support

2017-03-09 15:35:07 -07:00

atom_vec_angle_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

atom_vec_angle_kokkos.h

Fixing execution space issues in KOKKOS package

2017-07-18 09:53:26 -06:00

atom_vec_atomic_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

atom_vec_atomic_kokkos.h

Add Kokkos threaded reverse comm option

2017-10-03 10:14:24 -06:00

atom_vec_bond_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

atom_vec_bond_kokkos.h

Add Kokkos threaded reverse comm option

2017-10-03 10:14:24 -06:00

atom_vec_charge_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

atom_vec_charge_kokkos.h

Add Kokkos threaded reverse comm option

2017-10-03 10:14:24 -06:00

atom_vec_dpd_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

atom_vec_dpd_kokkos.h

Add Kokkos threaded reverse comm option

2017-10-03 10:14:24 -06:00

atom_vec_full_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

atom_vec_full_kokkos.h

Add Kokkos threaded reverse comm option

2017-10-03 10:14:24 -06:00

atom_vec_hybrid_kokkos.cpp

Fix compiler warnings in atom_vec_hybrid_kokkos

2017-12-18 14:09:39 -07:00

atom_vec_hybrid_kokkos.h

Add CUDA support to atom_vec_hybrid_kokkos

2017-03-13 09:01:35 -06:00

atom_vec_kokkos.cpp

Add Kokkos threaded reverse comm option

2017-10-03 10:14:24 -06:00

atom_vec_kokkos.h

Add Kokkos threaded reverse comm option

2017-10-03 10:14:24 -06:00

atom_vec_molecular_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

atom_vec_molecular_kokkos.h

Fixing execution space issues in KOKKOS package

2017-07-18 09:53:26 -06:00

bond_class2_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

bond_class2_kokkos.h

Fix a few issues with Kokkos class2 files

2017-02-15 12:44:54 -07:00

bond_fene_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

bond_fene_kokkos.h

Fixing more execution space issues in KOKKOS package

2017-07-21 15:04:14 -06:00

bond_harmonic_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

bond_harmonic_kokkos.h

remove executable permissions on non-executables and non-scripts

2016-09-08 14:45:07 -04:00

comm_kokkos.cpp

Add missing fences in comm_kokkos

2017-12-15 13:30:17 -07:00

comm_kokkos.h

Add Kokkos threaded reverse comm option

2017-10-03 10:14:24 -06:00

comm_tiled_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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_temp_kokkos.cpp

Removing unnecessary fences

2017-06-05 13:54:13 -06:00

compute_temp_kokkos.h

prevent implicit dereference of s_CTEMP

2017-01-03 15:17:33 -07:00

dihedral_charmm_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

dihedral_charmm_kokkos.h

remove executable permissions on non-executables and non-scripts

2016-09-08 14:45:07 -04:00

dihedral_class2_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

dihedral_class2_kokkos.h

Fix a few issues with Kokkos class2 files

2017-02-15 12:44:54 -07:00

dihedral_opls_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

dihedral_opls_kokkos.h

Fixing more execution space issues in KOKKOS package

2017-07-21 15:04:14 -06:00

domain_kokkos.cpp

Remove all thread fences except one in verlet_kokkos

2017-08-31 10:38:36 -06:00

domain_kokkos.h

draft CUDA-callable version of Domain::unmap

2016-12-21 08:53:57 -07:00

fix_deform_kokkos.cpp

new fix wall/gran/region command, REBO bug fix, new example log files

2016-10-06 15:47:41 -06:00

fix_deform_kokkos.h

Fixing execution space issues in KOKKOS package

2017-07-18 09:53:26 -06:00

fix_dpd_energy_kokkos.cpp

remove syncs that shouldn't be needed

2017-01-03 11:50:44 -07:00

fix_dpd_energy_kokkos.h

member function containing lambdas must be public

2017-01-03 11:50:44 -07:00

fix_eos_table_rx_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

fix_eos_table_rx_kokkos.h

Updating fix_eos_table_rx_kokkos to USER-DPD changes

2017-01-03 10:09:44 -07:00

fix_langevin_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

fix_langevin_kokkos.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2015-10-30 20:04:06 +00:00

fix_momentum_kokkos.cpp

repair sync bugs in fix_momentum_kokkos

2016-12-28 10:51:59 -07:00

fix_momentum_kokkos.h

allow fix momentum angular with CUDA

2016-12-21 08:55:33 -07:00

fix_nh_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

fix_nh_kokkos.h

remove executable permissions on non-executables and non-scripts

2016-09-08 14:45:07 -04:00

fix_nph_kokkos.cpp

new fix wall/gran/region command, REBO bug fix, new example log files

2016-10-06 15:47:41 -06:00

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

new fix wall/gran/region command, REBO bug fix, new example log files

2016-10-06 15:47:41 -06:00

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

Remove hardcoded execution spaces

2017-07-21 16:04:18 -06:00

fix_nve_kokkos.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2015-10-30 20:04:06 +00:00

fix_nvt_kokkos.cpp

new fix wall/gran/region command, REBO bug fix, new example log files

2016-10-06 15:47:41 -06:00

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

Fix bug in fix_property_atom

2018-01-17 10:41:56 -07:00

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

Better load balance fix_qeq_reax_kokkos for half neigh list

2017-12-21 11:07:51 -07:00

fix_qeq_reax_kokkos.h

Fix broken charge history in fix_qeq_reax_kokkos

2017-12-12 09:20:09 -07:00

fix_reaxc_bonds_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

fix_reaxc_species_kokkos.h

Fixing execution space issues in KOKKOS package

2017-07-18 09:53:26 -06:00

fix_rx_kokkos.cpp

Add missing header files

2017-12-01 11:33:42 -07:00

fix_rx_kokkos.h

Fix execution space issues

2017-08-25 14:45:47 -06:00

fix_setforce_kokkos.cpp

Need dynamic cast for multiple inheritance

2017-12-01 12:53:40 -07:00

fix_setforce_kokkos.h

Fixing Kokkos execution space issue with regions

2017-07-25 13:37:01 -06:00

fix_shardlow_kokkos.cpp

Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_es_RNG

2017-12-07 10:57:01 -07:00

fix_shardlow_kokkos.h

USER-DPD: make the kokkos and non-kokkos fix_shardlow match more closely

2017-11-03 12:51:37 -05:00

fix_wall_lj93_kokkos.cpp

correct embarrassing typo

2017-09-15 21:58:47 -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

Removing unnecessary fences

2017-06-05 13:54:13 -06:00

fix_wall_reflect_kokkos.h

added examples/threebody, fix reaxc/speceies/kk

2016-11-04 10:56:04 -06:00

gridcomm_kokkos.cpp

Add Kokkos thread fences to pack/unpack routines

2017-12-15 13:01:38 -07:00

gridcomm_kokkos.h

add pppm/kk and fix reax/c issues

2016-09-06 10:46:51 -06:00

improper_class2_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

improper_class2_kokkos.h

Fix a few issues with Kokkos class2 files

2017-02-15 12:44:54 -07:00

improper_harmonic_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

improper_harmonic_kokkos.h

remove executable permissions on non-executables and non-scripts

2016-09-08 14:45:07 -04:00

Install.sh

Merge pull request #763 from stanmoore1/kk_neighlist

2018-01-16 09:01:15 -07:00

kokkos_base.h

Use multiple inheritance to remove accelerator_kokkos.h out of region.h and kspace.h

2017-12-01 10:18:22 -07:00

kokkos_few.h

allow constructing Few from array on device

2016-12-21 09:21:11 -07:00

kokkos_type.h

Add Kokkos versions of pair_style snap and zbl

2018-01-09 17:03:49 -07:00

kokkos.cpp

Move instantiation of MemoryKokkos class

2017-12-05 08:34:24 -07:00

kokkos.h

Add Kokkos threaded reverse comm option

2017-10-03 10:14:24 -06:00

math_special_kokkos.cpp

add pppm/kk and fix reax/c issues

2016-09-06 10:46:51 -06:00

math_special_kokkos.h

fix double-return warning

2017-01-25 15:22:42 -07:00

memory_kokkos.h

Add newline to memory_kokkos.h

2017-12-01 10:33:47 -07:00

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

Add sync/modify to nbin_kokkos

2017-09-29 13:26:02 -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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

nbin_ssa_kokkos.h

consolidate sorting functions

2017-03-06 15:28:25 -07:00

neigh_bond_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

neigh_list_kokkos.h

Fixing memory leak in Kokkos neighborlist

2017-06-26 10:51:26 -06:00

neighbor_kokkos.cpp

Use multiple inheritance to remove accelerator_kokkos.h out of pair.h

2017-12-01 09:51:40 -07:00

neighbor_kokkos.h

new neigh_modify exclude option, other SNAP changes

2017-03-07 09:31:12 -07:00

npair_copy_kokkos.cpp

Fix compile errors from neigh history refactor

2017-10-13 10:49:31 -06:00

npair_copy_kokkos.h

More changes for Kokkos neighbor

2016-12-09 15:56:55 -07:00

npair_halffull_kokkos.cpp

Fix issues in Kokkos npair_halffull and npair_skip

2018-01-13 21:32:59 -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

Merge pull request #676 from stanmoore1/kokkos_reverse_comm

2017-10-05 17:08:49 -06:00

npair_kokkos.h

first pass at implementing atom2bin for KOKKOS neighbor lists

2017-09-25 14:06:20 -05:00

npair_skip_kokkos.cpp

Fix issues with Kokkos skip lists

2018-01-15 08:23:39 -07:00

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

USER-DPD Kokkos: propagate the new neigh_modify options from efaa4c67

2017-10-16 13:37:27 -05:00

npair_ssa_kokkos.h

USER-DPD Kokkos: propagate the new neigh_modify options from efaa4c67

2017-10-16 13:37:27 -05:00

pair_buck_coul_cut_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_buck_kokkos.h

add C++ format identifiers to .h files

2017-06-20 16:18:34 -04:00

pair_coul_cut_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Add missing header files

2017-12-01 11:33:42 -07:00

pair_dpd_fdt_energy_kokkos.h

Fix execution space issues

2017-08-25 14:45:47 -06:00

pair_eam_alloy_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_eam_alloy_kokkos.h

Use multiple inheritance to remove accelerator_kokkos.h out of pair.h

2017-12-01 09:51:40 -07:00

pair_eam_fs_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_eam_fs_kokkos.h

Use multiple inheritance to remove accelerator_kokkos.h out of pair.h

2017-12-01 09:51:40 -07:00

pair_eam_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_eam_kokkos.h

Use multiple inheritance to remove accelerator_kokkos.h out of pair.h

2017-12-01 09:51:40 -07:00

pair_exp6_rx_kokkos.cpp

Add missing header files

2017-12-01 11:33:42 -07:00

pair_exp6_rx_kokkos.h

Fix execution space issues

2017-08-25 14:45:47 -06:00

pair_hybrid_kokkos.cpp

Use multiple inheritance to remove accelerator_kokkos.h out of pair.h

2017-12-01 09:51:40 -07:00

pair_hybrid_kokkos.h

Fixing issue with pressure in pair_hybrid_kokkos

2017-01-17 13:28:55 -07:00

pair_hybrid_overlay_kokkos.cpp

KOKKOS: fix a compile-time error caused by merge of patch 21Feb17

2017-02-22 11:52:20 -05:00

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

Fix bug in Kokkos peratom energy/virial with newton on

2018-01-10 10:20:12 -07:00

pair_lj_charmm_coul_charmm_implicit_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_lj_class2_kokkos.h

Fixing Kokkos per-atom e/v issue

2017-02-02 13:09:52 -07:00

pair_lj_cut_coul_cut_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_lj_cut_coul_long_kokkos.h

Fixing Kokkos per-atom e/v issue

2017-02-02 13:09:52 -07:00

pair_lj_cut_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_lj_cut_kokkos.h

Fixing Kokkos per-atom e/v issue

2017-02-02 13:09:52 -07:00

pair_lj_expand_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_lj_expand_kokkos.h

Add missing typedef in Kokkos pair styles

2017-02-02 13:24:05 -07:00

pair_lj_gromacs_coul_gromacs_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

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

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_lj_sdk_kokkos.h

Fixing Kokkos per-atom e/v issue

2017-02-02 13:09:52 -07:00

pair_morse_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_morse_kokkos.h

Updated contributing authors and docs

2017-02-02 13:42:47 +01:00

pair_multi_lucy_rx_kokkos.cpp

Add missing header files

2017-12-01 11:33:42 -07:00

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

apply bugfix to reaxff taper function as described in issue #828

2018-03-07 09:52:14 -05:00

pair_reaxc_kokkos.h

Fixing execution space issues in KOKKOS package

2017-07-18 09:53:26 -06:00

pair_snap_kokkos_impl.h

Workaround issue in pair_snap_kokkos_impl

2018-02-22 14:27:23 -07:00

pair_snap_kokkos.cpp

Add Kokkos versions of pair_style snap and zbl

2018-01-09 17:03:49 -07:00

pair_snap_kokkos.h

Fix issues in Kokkos pair snap and zbl

2018-01-13 21:31:11 -07:00

pair_sw_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_sw_kokkos.h

Fix execution space in manybody potentials

2017-07-21 14:28:13 -06:00

pair_table_kokkos.cpp

Fix issues with Kokkos skip lists

2018-01-15 08:23:39 -07:00

pair_table_kokkos.h

Fixing Kokkos per-atom e/v issue

2017-02-02 13:09:52 -07:00

pair_table_rx_kokkos.cpp

Add missing header files

2017-12-01 11:33:42 -07:00

pair_table_rx_kokkos.h

Reduce memory churn in pair_table_rx_kokkos

2017-06-08 09:31:51 -06:00

pair_tersoff_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_tersoff_kokkos.h

Fixing more Kokkos per-atom and fdotr issues

2017-02-02 15:21:21 -07:00

pair_tersoff_mod_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_tersoff_mod_kokkos.h

Fixing more Kokkos per-atom and fdotr issues

2017-02-02 15:21:21 -07:00

pair_tersoff_zbl_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_tersoff_zbl_kokkos.h

Fixing more Kokkos per-atom and fdotr issues

2017-02-02 15:21:21 -07:00

pair_vashishta_kokkos.cpp

Make memory_kokkos its own class

2017-12-01 09:13:31 -07:00

pair_vashishta_kokkos.h

Fix execution space in manybody potentials

2017-07-21 14:28:13 -06:00

pair_yukawa_kokkos.cpp

Fix compile error in pair_yukawa_kokkos

2017-12-07 08:42:17 -07:00

pair_yukawa_kokkos.h

Add pair_yukawa_kokkos to Install.sh and minor cleanup

2017-12-04 12:02:32 -07:00

pair_zbl_kokkos.cpp

Fix issues in Kokkos pair snap and zbl

2018-01-13 21:31:11 -07:00

pair_zbl_kokkos.h

Add Kokkos versions of pair_style snap and zbl

2018-01-09 17:03:49 -07:00

pppm_kokkos.cpp

avoid division by zero in PPPM for empty and uncharged systems. require kspace_modify gewald

2018-01-05 19:52:51 -05:00

pppm_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

rand_pool_wrap_kokkos.cpp

Renaming rand_pool_wrap to rand_pool_wrap_kokkos

2016-12-19 16:50:22 -07:00

rand_pool_wrap_kokkos.h

Remove unused function in rand_pool_wrap_kokkos

2017-08-23 15:02:26 -06:00

README

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12897 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2015-01-08 18:16:47 +00:00

region_block_kokkos.cpp

Remove all thread fences except one in verlet_kokkos

2017-08-31 10:38:36 -06:00

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

sna_kokkos_impl.h

Fix issue in pair_snap_kokkos memory_usage

2018-01-11 10:01:34 -07:00

sna_kokkos.h

Fix issue in pair_snap_kokkos memory_usage

2018-01-11 10:01:34 -07:00

verlet_kokkos.cpp

make default argument of virtual function Neighbor::build() explicit

2018-02-22 08:42:36 -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 primaritly by Christian Trott (Sandia) with
contributions of various styles by others, including Sikandar Mashayak
(UIUC).  The underlying Kokkos library was written primarily by Carter
Edwards, Christian Trott, and Dan Sunderland (all Sandia).