Diffusion lammps (master) History

KOKKOS
master8d384b9149c71d576fcea8f…

Sep 22 2017

Make Kokkos comm give warning and switch to classic comm instead of erroring out
3ed39ca844ba
·Stan Moore on Sep 22 2017, 21:03.

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USER-DPD: remove some out-of-date FIXME comments in fix_shardlow_kokkos.cpp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.

lammps/src/KOKKOSmaster8d384b9149c71d576fcea8f…

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lammps/src/KOKKOS
master8d384b9149c71d576fcea8f…