Diffusion lammps (master) History

KOKKOS
masterb4ecad7fbf5b4b2649d5389…

Sep 16 2017

correct embarrassing typo
6f1935ea4058
·Axel Kohlmeyer on Sep 16 2017, 03:58.

Sep 12 2017

import changes to various fixes by aidan to include virial contributions
e196a2b9e54a
·Axel Kohlmeyer on Sep 12 2017, 04:24.

Aug 31 2017

Remove all thread fences except one in verlet_kokkos
d95a5f219e69
·Stan Moore on Aug 31 2017, 18:38.

Aug 30 2017

USER-DPD: Kokkos version of Const Temperature DPD isn't implemented yet
dc7f1281b832
·Tim Mattox on Aug 30 2017, 18:01.
USER-DPD: remove some out-of-date FIXME comments in fix_shardlow_kokkos.cpp
2dd202cc761d
·Tim Mattox on Aug 30 2017, 17:34.
Rename SSA specific debug #ifdef to DEBUG_SSA_PAIR_CT
f2d8c37f27b1
·Tim Mattox on Aug 30 2017, 17:24.
Remove unnecessary check in npair_kokkos
a4a45f1d9cfb
·Stan Moore on Aug 30 2017, 01:25.

Aug 28 2017

Merge branch 'master' (21893539cb Aug 25) into USER-DPD_kokkos_merge
736e063971bc
·Tim Mattox on Aug 28 2017, 21:46.

Aug 25 2017

Fix execution space issues
a062944de95e
·Stan Moore on Aug 25 2017, 22:45.
Must use atomics for GPUs in pair_exp6_rx_kokkos
a641289d5ba3
·Stan Moore on Aug 25 2017, 20:36.

Aug 23 2017

Remove unnecessary thread fences
f5a99dece766
·Stan Moore on Aug 23 2017, 23:08.
Remove unused function in rand_pool_wrap_kokkos
4784506ba907
·Stan Moore on Aug 23 2017, 23:02.
Fix compile error for CUDA in pair_exp6_rx_kokkos
270abff2a2a1
·Stan Moore on Aug 23 2017, 22:59.

Aug 11 2017

Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks as of patch 10Aug17
13b804eeeba5
·Tim Mattox on Aug 11 2017, 20:53.

Aug 9 2017

Merge pull request #25 from timattox/USER-DPD_GBhacks_cudafix
e86b139817fc
·Tim Mattox / GitHub on Aug 9 2017, 21:32.

Jul 31 2017

Revert 7edb294b447c62d3d2dbd4f9df984fb8d14f9a7c temporarily
5cd1dc93dc59
·Stan Moore on Jul 31 2017, 23:32.

Jul 28 2017

Fix execution space issues in comm_kokkos
7edb294b447c
·Stan Moore on Jul 28 2017, 18:44.

Jul 27 2017

Add missing sync to neigh_bond_kokkos
8e834d8be149
·Stan Moore on Jul 27 2017, 17:37.
Fix modify/sync issue in neigh_bond_kokkos
8f59c0e188b9
·Stan Moore on Jul 27 2017, 16:51.

Jul 25 2017

Fix concurrent modification issue in comm_kokkos
c3c9f357fdfa
·Stan Moore on Jul 25 2017, 22:37.
Merge branch 'master' into kk_changes
76fb4e08152f
·Stan Moore on Jul 25 2017, 22:16.
Fix execution space issues in Kokkos EAM pairstyles
d3fa882280a9
·Stan Moore on Jul 25 2017, 21:49.
Fixing Kokkos execution space issue with regions
557e5b964ad8
·Stan Moore on Jul 25 2017, 21:37.
Fix issue in Kokkos neighborlist
633ca33f2f91
·Stan Moore on Jul 25 2017, 21:08.
Merge branch 'master' into USER-DPD_kokkos_testing
bc446bb8b01b
·Stan Moore on Jul 25 2017, 20:12.

Jul 22 2017

Remove hardcoded execution spaces
8d485ea128d9
·Stan Moore on Jul 22 2017, 00:04.

Jul 21 2017

Fixing more execution space issues in KOKKOS package
f4b6b67f6ee6
·Stan Moore on Jul 21 2017, 23:04.
Fix execution space in manybody potentials
8ed881947ff9
·Stan Moore on Jul 21 2017, 22:28.
avoid division by zero in reaxff bond interaction computations in very rare…
61b1487cbd93
·Axel Kohlmeyer on Jul 21 2017, 00:17.

Jul 18 2017

Prefer DeviceType specification over RangePolicy
1b34bec81a2c
·Stan Moore on Jul 18 2017, 18:59.
Removing stray file
9df61b642e56
·Stan Moore on Jul 18 2017, 18:44.
Fixing execution space issues in KOKKOS package
3c88b2a9805b
·Stan Moore on Jul 18 2017, 17:53.

Jun 26 2017

Remove clean_copy function from pair_vashishta_kokkos
9fec8a0470bd
·Stan Moore on Jun 26 2017, 18:56.
Fixing memory leak in Kokkos neighborlist
b8897765572e
·Stan Moore on Jun 26 2017, 18:51.
Merge branch 'master' into USER-DPD_kokkos_testing
ea4d11fc5eff
·Stan Moore on Jun 26 2017, 17:36.

Jun 20 2017

add C++ format identifiers to .h files
ffa906de6ff6
·Axel Kohlmeyer on Jun 20 2017, 22:18.

Jun 19 2017

cleanup from aidan for fix reax/c/species and its KOKKOS version
8c54fcd1b6c9
·Axel Kohlmeyer on Jun 19 2017, 23:31.
Fixing error checks
b96b6b9cd775
·Stan Moore on Jun 19 2017, 22:04.
Updating to master
da0dcbe0bb2a
·Stan Moore on Jun 19 2017, 18:56.

Jun 15 2017

Merge pull request #510 from akohlmey/collected-small-changes
d3c90f3c14dd
·sjplimp / GitHub on Jun 15 2017, 19:12.

Jun 9 2017

Add missing sync/modify to fix_shardlow_kokkos
3c8e75ad590a
·Stan Moore on Jun 9 2017, 18:57.
Fixing CUDA runtime issues in fix_shardlow_kokkos
c51cadcc6c38
·Stan Moore on Jun 9 2017, 17:31.

Jun 8 2017

Fixing CUDA runtime issues in fix_shardlow_kokkos
86497949f20a
·Stan Moore on Jun 8 2017, 21:40.
Fixing CUDA runtime issues in pair_exp6_rx_kokkos
b4b731088438
·Stan Moore on Jun 8 2017, 21:33.
Reduce memory churn in pair_multi_lucy_rx_kokkos
43cfa10ea48d
·Stan Moore on Jun 8 2017, 17:58.
Reduce memory churn in fix_rx_kokkos
6f24c58c1a31
·Stan Moore on Jun 8 2017, 17:52.
Reduce memory churn in pair_table_rx_kokkos
611bb6f13035
·Stan Moore on Jun 8 2017, 17:31.

Jun 7 2017

Fixing more CUDA runtime issues
520ab26bd966
·Stan Moore on Jun 7 2017, 23:07.

Jun 6 2017

Fixing more CUDA runtime issues
efe60bf991c6
·Stan Moore on Jun 6 2017, 21:10.
Fixing some CUDA runtime issues in npair_ssa_kokkos
36cbe439780d
·Stan Moore on Jun 6 2017, 18:51.

Jun 5 2017

Removing unnecessary fences
ed50bd225494
·Stan Moore on Jun 5 2017, 21:54.

May 30 2017

major neighbor list style whitespace cleanup
03ab8d0f48aa
·Axel Kohlmeyer on May 30 2017, 23:04.

May 25 2017

Updating from master to 19May17
2cf83d9fca6e
·Stan Moore on May 25 2017, 19:21.

May 16 2017

correct the inner loop range for resetting cutoffs when redefining a pair style
51fc386e7224
·Axel Kohlmeyer on May 16 2017, 06:26.

May 4 2017

jive Kokkos/reaxc file names with new user-reaxc file names
d7dbff0f5441
·Steve Plimpton on May 4 2017, 22:46.
Merge pull request #458 from stanmoore1/kokkos_sync_bugfix
6499cfcf52ae
·sjplimp / GitHub on May 4 2017, 19:24.
Merge pull request #457 from stanmoore1/kokkos_ubuf
f08e2069917d
·sjplimp / GitHub on May 4 2017, 19:23.
new Section package and start doc pages and build scripts
addd87c0f7a4
·Steve Plimpton on May 4 2017, 19:22.

Apr 26 2017

Fixing auto_sync logic bug in modify_kokkos
0565b1df5f02
·Stan Moore on Apr 26 2017, 18:49.
Adding ubuf union to Kokkos atom_vec styles
d73d70fa1fdd
·Stan Moore on Apr 26 2017, 16:15.

Apr 13 2017

patch 13Apr17
2f32fb7f8bda
·Steve Plimpton on Apr 13 2017, 19:19.

Apr 11 2017

Fix format issue in pair_exp6_rx_kokkos
ca4619e22791
·Stan Moore on Apr 11 2017, 17:14.
Removing more memory churn in pair_exp6_rx_kokkos
6c0b6918821a
·Stan Moore on Apr 11 2017, 17:12.
Reducing memory churn in pair_exp6_rx_kokkos
035d0a80d7bc
·Stan Moore on Apr 11 2017, 00:38.

Apr 6 2017

USER-DPD Kokkos: use a parallel_for() to build the ghosts workplan for SSA
178af2ec9e72
·Tim Mattox on Apr 6 2017, 09:53.
USER-DPD Kokkos: use a parallel_for() to build the locals workplan for SSA
9e272cb393fd
·Tim Mattox on Apr 6 2017, 08:31.

Apr 5 2017

Merge branch 'USER-DPD_GBhacks' into USER-DPD_GBhacks_ssa_mem as of patch…
ad5481831fdc
·Tim Mattox on Apr 5 2017, 22:38.
Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks as of patch 31March17
456926a32195
·Tim Mattox on Apr 5 2017, 22:18.
Merge branch 'master' into USER-DPD_kokkos as of patch 31Mar17
bceaa5761426
·Tim Mattox on Apr 5 2017, 21:05.
Changing default gb/test to on
4d4b6f66b713
·Stan Moore on Apr 5 2017, 19:42.

Apr 2 2017

USER-DPD Kokkos: #ifdef DEBUG_SSA_BUILD_LOCALS the new debug output
2b2f3bd57c1d
·Tim Mattox on Apr 2 2017, 06:07.
USER-DPD Kokkos: preflight storage needed for SSA threaded neigh list build
c4c3d490c7e0
·Tim Mattox on Apr 2 2017, 05:52.

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.
fix memory leak in fix_shardlow_kokkos
6ba59cb4583c
·Dan Ibanez / Stan Moore on Apr 1 2017, 01:04.
fix memory leaks in pair_tabl_rx_kokkos
fe82926c1f41
·Dan Ibanez / Stan Moore on Apr 1 2017, 01:04.
fix memory leak in fix_shardlow_kokkos
5edbd6392068
·Dan Ibanez on Apr 1 2017, 00:03.

Mar 31 2017

fix memory leaks in pair_tabl_rx_kokkos
bf4f0817d4f8
·Dan Ibanez on Mar 31 2017, 23:57.

Mar 28 2017

fix memory leak via NeighListKokkos::clean_copy()
b3d6d9f8cf3e
·Dan Ibanez / Stan Moore on Mar 28 2017, 21:01.
fix memory leak via NeighListKokkos::clean_copy()
20ae05055dbb
·Dan Ibanez on Mar 28 2017, 19:38.
avoid segfault when calling PPPM*::memory_usage() before grid communication is…
28bdebd3c045
·Axel Kohlmeyer on Mar 28 2017, 13:50.

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.

lammps/src/KOKKOSmasterb4ecad7fbf5b4b2649d5389…

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lammps/src/KOKKOS
masterb4ecad7fbf5b4b2649d5389…