Diffusion lammps (master) History

KOKKOS
mastere0021a3ff51702ed4b5c797…

Apr 1 2017

USER-DPD Kokkos: preflight SSA neigh list workplan to reduce allocated storage
e0021a3ff517
·Tim Mattox on Apr 1 2017, 20:41.
USER-DPD Kokkos: more WIP on preflighting SSA neighbor list build, with…
ac4c35ce8d1c
·Tim Mattox on Apr 1 2017, 19:45.
USER-DPD Kokkos: WIP on preflighting SSA neighbor list build, with debugging
ac64183ecfdd
·Tim Mattox on Apr 1 2017, 18:11.

Mar 28 2017

fix memory leak via NeighListKokkos::clean_copy()
20ae05055dbb
·Dan Ibanez on Mar 28 2017, 19:38.

Mar 27 2017

USER-DPD Kokkos: tighten up the SSA data allocation to what is needed. A future…
0463923e330b
·Tim Mattox on Mar 27 2017, 18:04.
USER-DPD: bugfix for an array that changed length in the non-kokkos version.
b418b46a03ac
·Tim Mattox on Mar 27 2017, 12:56.

Mar 21 2017

make RK solver check in fix_rx_kokkos.cpp be as lenient as in fix_rx.cpp NOTE…
3c91f9734dbb
·Tim Mattox on Mar 21 2017, 22:12.

Mar 20 2017

Merge branch 'USER-DPD_GBhacks' into USER-DPD_GBhacks_cps
4ad1c82fcf1e
·Tim Mattox on Mar 20 2017, 19:37.
USER-DPD Kokkos: bugfix, add a misisng line of code in pair_exp6_rx_kokkos.cpp
a68f3a93e53a
·Tim Mattox on Mar 20 2017, 02:12.

Mar 18 2017

USER-DPD Kokkos: bugfix for npair_ssa_kokkos.cpp corresponding to 0cd3f0cd
fff43a4604a2
·Tim Mattox on Mar 18 2017, 00:33.

Mar 17 2017

Added ONE-TYPE template capability to vectorized_operator and cleaned up timers.
75670244bb5d
·Christopher P. Stone on Mar 17 2017, 22:02.
Kokkos/pair_exp6_rx_kokkos optimized for SIMD on the inner j-loop.
64fdb1f528bc
·Christopher P. Stone on Mar 17 2017, 20:52.
Merge remote-tracking branch 'thunder/USER-DPD_kokkos_gb_test' into USER…
a719f41426e0
·Christopher P. Stone on Mar 17 2017, 15:26.
Cleaned up the non-kokkos part of KOKKOS/pair_exp6_rx_kokkos.cpp
ec192a95cb14
·Christopher P. Stone on Mar 17 2017, 03:28.
Non-kokkos candidate of PairExp6rxKokkos::getMixingWeights to improve…
f5b7361ef6b6
·Christopher P. Stone on Mar 17 2017, 02:31.

Mar 16 2017

Fixing index issue in pair_exp6_rx_kokkos
acdb932c4ec5
·Stan Moore on Mar 16 2017, 16:28.

Mar 15 2017

Adding gb_test
7ebed717de98
·Stan Moore on Mar 15 2017, 23:05.
Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_kokkos
bdee2fa23401
·Stan Moore on Mar 15 2017, 22:59.
pass Views by reference for pair_table_rx_kokkos
f4a08ba4fcae
·Dan Ibanez on Mar 15 2017, 16:25.

Mar 14 2017

Add neigh/qeq option to Kokkos
580f6b567b12
·Stan Moore on Mar 14 2017, 17:44.

Mar 13 2017

Add CUDA support to atom_vec_hybrid_kokkos
d2cbfef13bac
·Stan Moore on Mar 13 2017, 16:01.
USER-DPD: specialize PairTableRXKokkos's compute_all_items() on NEWTON_PAIR No…
4b4bc7dc3bd1
·Tim Mattox on Mar 13 2017, 08:03.
USER-DPD Kokkos: add support for full neighbor lists. Note: "newton on" still…
d5eceebf3283
·Tim Mattox on Mar 13 2017, 06:56.

Mar 12 2017

USER-DPD Kokkos: correct some error messages
e908b8dbea02
·Tim Mattox on Mar 12 2017, 21:20.

Mar 11 2017

Merge branch 'master' into USER-DPD_kokkos as of patch 10 Mar 2017
17c8e695a422
·Tim Mattox on Mar 11 2017, 03:37.

Mar 10 2017

Merge pull request #406 from stanmoore1/kokkos_bugfix
ffe02d20ca83
·sjplimp / GitHub on Mar 10 2017, 22:51.

Mar 9 2017

Add Kokkos version of atom_vec_hybrid_kokkos, without CUDA support
6f71275db30f
·Stan Moore on Mar 9 2017, 23:35.
Fixing memory overflow issue in comm_kokkos
a001a5ceb0c4
·Stan Moore on Mar 9 2017, 20:20.
Fixing issue with ev_setup in pair_hybrid_kokkos
35e1cf1d6e00
·Stan Moore on Mar 9 2017, 04:02.

Mar 8 2017

Disable allocation of per-atom arrays in ev_setup for USER-DPD Kokkos styles
fc23f9cfe897
·Stan Moore on Mar 8 2017, 21:07.
Merge remote branch 'stanmoore1/ev_setup_kk' into USER…
0ce5dc023451
·Stan Moore on Mar 8 2017, 21:05.
Disable allocation of per-atom arrays in ev_setup for Kokkos styles
1f6c1942b37e
·Stan Moore on Mar 8 2017, 20:42.

Mar 7 2017

Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_kokkos
de2730522733
·Stan Moore on Mar 7 2017, 19:47.
Merge pull request #399 from rbberger/docs_spelling_fixes
920641bbffbc
·sjplimp / GitHub on Mar 7 2017, 17:47.
Merge pull request #398 from stanmoore1/kokkos_changes
c2aabdec229c
·sjplimp / GitHub on Mar 7 2017, 17:46.
new neigh_modify exclude option, other SNAP changes
efaa4c67109f
·Steve Plimpton on Mar 7 2017, 17:31.
Fix more typos in src files
3a054d1a82b2
·Richard Berger on Mar 7 2017, 06:55.

Mar 6 2017

don't query device variables from the host
b8c72c7bdb54
·Dan Ibanez on Mar 6 2017, 23:51.
don't use device views to measure dimensions
527a573026d1
·Dan Ibanez on Mar 6 2017, 23:42.
consolidate sorting functions
3e3a24da48d4
·Dan Ibanez on Mar 6 2017, 23:28.
don't capture "this" in lambdas
a7d1b571be0a
·Dan Ibanez on Mar 6 2017, 23:07.
fix lambda syntax for CUDA
4a6f27935d26
·Dan Ibanez on Mar 6 2017, 22:58.
The wonders of git commit -a
3e8cfb8247fd
·Dan Ibanez / GitHub on Mar 6 2017, 19:04.
add missing KOKKOS_INLINE_FUNCTION to fix_shardlow
c2c22fc2ede6
·Dan Ibanez on Mar 6 2017, 18:57.

Mar 3 2017

USER-DPD Kokkos: Remove the SSA's ALLOW_NON_DETERMINISTIC_DPD option. There was…
b35895ca128b
·Tim Mattox on Mar 3 2017, 21:21.
USER-DPD: sort bins for deterministic SSA instead of using Kokkos::Serial
635c448b61bd
·Tim Mattox on Mar 3 2017, 20:57.
Merge pull request #14 from timattox/USER-DPD_kokkos_ssa
c1739cae972b
·Tim Mattox / GitHub on Mar 3 2017, 19:29.
USER-DPD Kokkos: work around CUDA not having max_hardware_threads()
0651ea7f69c3
·Tim Mattox on Mar 3 2017, 18:50.
Fixing issue in fix_wall_lj93_kokkos
c468727db092
·Stan Moore on Mar 3 2017, 18:49.
Improving memory access in comm_kokkos
6382d3c89a2f
·Stan Moore on Mar 3 2017, 17:14.
USER-DPD Kokkos: turn one_type optimization into a template specialization
a7e855096215
·Tim Mattox on Mar 3 2017, 16:38.
USER-DPD Kokkos: propagate 763a00e8 bugfix to pair_multi_lucy_rx_kokkos.cpp
7e78921c96a5
·Tim Mattox on Mar 3 2017, 16:12.

Mar 2 2017

Merge branch 'USER-DPD_kokkos_ssa' into USER-DPD_kokkos
f11b83ecd24b
·Tim Mattox on Mar 2 2017, 22:37.
Adding fix_wall_lj93_kokkos
3820c5881d5c
·Stan Moore on Mar 2 2017, 22:02.
USER-DPD Kokkos: use Random_XorShift64() by default, but allow overrides
d95fbf3a5e4a
·Tim Mattox on Mar 2 2017, 21:01.

Mar 1 2017

Merge branch 'USER-DPD_kokkos' into USER-DPD_kokkos_ssa_debug
03c05537fb7c
·Tim Mattox on Mar 1 2017, 21:49.
USER-DPD Kokkos: replicate 9a560b90 bugfix to atom_vec_dpd_kokkos.cpp
8210b25fb848
·Tim Mattox on Mar 1 2017, 21:34.
USER-DPD Kokkos: Now use the deterministic Random_XorShift64() for SSA
ed089c34cfda
·Tim Mattox on Mar 1 2017, 20:18.
USER-DPD Kokkos: bugfix for the rare case were the SSA ghost processing has…
268e855a1513
·Tim Mattox on Mar 1 2017, 20:14.
Merge branch 'USER-DPD_kokkos' into USER-DPD_kokkos_ssa_debug
bf1794f59a1a
·Tim Mattox on Mar 1 2017, 16:29.
USER-DPD Kokkos: replicate 7a593c2f bugfix to pair_table_rx_kokkos.cpp
0982331c71fb
·Tim Mattox on Mar 1 2017, 15:49.

Feb 28 2017

USER-DPD Kokkos: Add "#ifdef ALLOW_NON_DETERMINISTIC_SSA" toggle SSA atom…
b26a434a502d
·Tim Mattox on Feb 28 2017, 18:53.
USER-DPD Kokkos: Add "#ifdef DPD_USE_RAN_MARS" toggle Also, initialize the…
2b78ac214632
·Tim Mattox on Feb 28 2017, 18:49.

Feb 27 2017

USER-DPD Kokkos: give each workItem index a unique instance of RanMars Makes…
a5507b291d3d
·Tim Mattox on Feb 27 2017, 00:00.

Feb 26 2017

USER-DPD Kokkos: for deterministic results, serialize bin_atoms() for now.
3eba3e5a1b75
·Tim Mattox on Feb 26 2017, 23:57.
use RandWrap in pair_dpd_fdt_energy_kokkos and fix_shardlow_kokkos
35ee24cfad50
·Tim Mattox on Feb 26 2017, 20:50.

Feb 25 2017

USER-DPD: add "#ifdef DEBUG_PAIR_CT" debugging code to fix_shardlow*
e4500859a3e2
·Tim Mattox on Feb 25 2017, 04:24.
USER-DPD Kokkos: add missing () in STACKPARAMS check in ssa_update_*
fd1523c7561e
·Tim Mattox on Feb 25 2017, 04:19.
USER-DPD Kokkos: correct the setup of the ghost SSA workplan
21619b297685
·Tim Mattox on Feb 25 2017, 04:16.
USER-DPD Kokkos: remove extranious debugging code
b053c367ea1e
·Tim Mattox on Feb 25 2017, 01:09.
USER-DPD Kokkos: rand seed can't be zero, so add some salt.
c2e3a76225f4
·Tim Mattox on Feb 25 2017, 01:07.

Feb 24 2017

DEBUG: make FixShardlowKokkos have it's own rand_pool, plus debug code.
6ea290a69963
·Tim Mattox on Feb 24 2017, 23:41.
USER-DPD Kokkos: enable install of SSA Kokkos code
c56e0692b914
·Tim Mattox on Feb 24 2017, 23:38.
USER-DPD: variety of fixes for new SSA Kokkos code. Still not functional.
71379487abc7
·Tim Mattox on Feb 24 2017, 23:35.
USER-DPD: first attempt at fix_shardlow_kokkos... It compiles!
f7a48719adba
·Tim Mattox on Feb 24 2017, 19:35.
USER-DPD: make locals & ghosts use similar SSA work plan data structure Kokkos…
a341a6bca927
·Tim Mattox on Feb 24 2017, 19:27.
USER-DPD: make PairDPDfdtEnergyKokkos's rand_pool public so it can be reused
2f04e87d0794
·Tim Mattox on Feb 24 2017, 19:24.
USER-DPD: fix missing host prefixes in AtomVecDPDKokkos::pack_comm
aecafecaa2f8
·Tim Mattox on Feb 24 2017, 19:21.
USER-DPD: pair_dpd_fdt_energy_kokkos: enable STACKPARAMS specialization
1db62a57b5dd
·Tim Mattox on Feb 24 2017, 19:17.

Feb 22 2017

USER-DPD: use LAMBDA instead of functor for ghost binning in nbin_ssa_kokkos
b27cc8f474e1
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: first attempt at npair_ssa_kokkos... It compiles!
8065d967612a
·Tim Mattox on Feb 22 2017, 21:08.
BUGFIX: use Kokkos::atomic_fetch_max() to avoid a race on new_maxneighs
01d0a5c4a210
·Tim Mattox on Feb 22 2017, 21:08.
BUGFIX: fix a copy-o in build_Item_Ghost(): xbin2, etc. should be an int xbin2…
5c6e7b12c647
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: fix a bug in AtomVecDPDKokkos::unpack_restart()
7feb6c2853b6
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: first attempt at nbin_ssa_kokkos... It compiles!
d1a0a3e1c369
·Tim Mattox on Feb 22 2017, 21:08.
cleanup: remove unused binatomsItem() declaration in npair_kokkos.h
5289ec0b39f2
·Tim Mattox on Feb 22 2017, 21:08.
indentation fixes in npair_kokkos.cpp, plus a comment question
e0bafa499d55
·Tim Mattox on Feb 22 2017, 21:08.
Merge branch 'FixRX_Kokkos_merge' into USER-DPD_kokkos
e76cad358b3b
·Tim Mattox on Feb 22 2017, 20:25.
KOKKOS: fix a compile-time error caused by merge of patch 21Feb17 Remove the…
0a751c59012e
·Tim Mattox on Feb 22 2017, 17:52.
Merge branch 'master' into USER-DPD_kokkos as of patch 21Feb17
83988a1026f4
·Tim Mattox on Feb 22 2017, 17:29.

Feb 21 2017

Merge pull request #383 from stanmoore1/rshan_class2_kk
b70c670aac56
·sjplimp / GitHub on Feb 21 2017, 23:52.
Merge pull request #382 from timattox/master_kokkos_neigh_bugfix
1d17cae407ff
·sjplimp / GitHub on Feb 21 2017, 23:51.
new SNAP potential for W
1cd4c48cccdb
·Steve Plimpton on Feb 21 2017, 23:49.

Feb 15 2017

Fix a few issues with Kokkos class2 files
c6c1852b3b1a
·Stan Moore on Feb 15 2017, 20:44.
Add files from Ray Shan for Kokkos version of class2 angle, bond, etc.
69a8e19dc5eb
·Stan Moore on Feb 15 2017, 20:29.
neighbor_kokkos.cpp: Don't call grow() on neighbor lists that are copies. This…
928947dcea24
·Tim Mattox on Feb 15 2017, 17:49.

Feb 13 2017

Removed printf's from FixRXKokkos and FixRX.
acc5bde0fe53
·Christopher Stone on Feb 13 2017, 22:36.
Switched to operator()'s and Tag's for the Kokkos launch objects.
799d55e09713
·Christopher Stone on Feb 13 2017, 22:33.
Update FixRXKokkos for Cuda build. Added inline and other KOKKOS macros.
4e9c8f496235
·Christopher Stone on Feb 13 2017, 22:33.
Switched to using Kokkos device data for ODE scratch data.
2f32c1a9af6f
·Christopher Stone on Feb 13 2017, 22:33.

lammps/src/KOKKOSmastere0021a3ff51702ed4b5c797…

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lammps/src/KOKKOS
mastere0021a3ff51702ed4b5c797…