Diffusion lammps (master) History

lammps/src
masterc7eadfdefd7f71455ab7b22…

Mar 10 2017

Merge branch 'master' into USER-DPD_kokkos
c7eadfdefd7f
·Tim Mattox on Mar 10 2017, 22:29.
Merge pull request #405 from stanmoore1/ev_setup_kk
07fcfd6d54a1
·sjplimp / GitHub on Mar 10 2017, 19:01.
Merge pull request #407 from frobnitzem/master
c97feafca6ac
·sjplimp / GitHub on Mar 10 2017, 19:00.

Mar 9 2017

Add Kokkos version of atom_vec_hybrid_kokkos, without CUDA support
6f71275db30f
·Stan Moore on Mar 9 2017, 23:35.
Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp
65964f3b31ea
·David M. Rogers on Mar 9 2017, 22:49.
Fixing issue with ev_setup in pair_hybrid_kokkos
35e1cf1d6e00
·Stan Moore on Mar 9 2017, 04:02.

Mar 8 2017

restore incorrect change due to spell checking in fix imd
2ef713ea1b49
·Axel Kohlmeyer on Mar 8 2017, 22:40.
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.
Adding alloc flag to ev_setup
683023d8203f
·Stan Moore on Mar 8 2017, 20:36.

Mar 7 2017

Fix spelling "correction" from 3a054d1a: iterations not interactions. :-)
42d3a8f4982d
·Tim Mattox on Mar 7 2017, 21:41.
Turn off use of OpenMP in MPIIO/dump_custom_mpiio.cpp if Kokkos is in use. The…
d01f09dce237
·Tim Mattox on Mar 7 2017, 21:23.
Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_kokkos
de2730522733
·Stan Moore on Mar 7 2017, 19:47.
patch 7Mar17
79b005dc3d5f
·Steve Plimpton on Mar 7 2017, 19:40.
Merge pull request #393 from akohlmey/small-bugfixes
a2fa6ef4524c
·sjplimp / GitHub on Mar 7 2017, 17:56.
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.
Merge pull request #395 from timattox/USER-DPD_bugfix
e4aa735a6809
·sjplimp / GitHub on Mar 7 2017, 17:46.
Merge pull request #394 from jaapkroe/kolmogorov-crespi
4af6557568e7
·sjplimp / GitHub on Mar 7 2017, 17:46.
Merge pull request #389 from akohlmey/update-agni-potential
0798885bdb2a
·sjplimp / GitHub on Mar 7 2017, 17:35.
Merge pull request #376 from v0i0/airebo-bondorderLJ-fixes
d6866f1cfdd7
·sjplimp / GitHub on Mar 7 2017, 17:32.
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.
Fix typos in src files
7dd60f97377a
·Richard Berger on Mar 6 2017, 03:03.
Spelling fixes in source files
e261bef7bba7
·Richard Berger on Mar 6 2017, 00:30.

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.
Merge branch 'USER-DPD_bugfix' into USER-DPD_kokkos, pair_multi_lucy_rx
27d6284ebe75
·Tim Mattox on Mar 3 2017, 15:52.
USER-DPD: pair_multi_lucy_rx bugfix for systems with multiple atom types
763a00e8b02e
·Tim Mattox on Mar 3 2017, 15:29.
Merge branch 'pair_write_fix' of https://github.com/andeplane/lammps into small…
ce1a3f25e193
·Axel Kohlmeyer on Mar 3 2017, 14:11.
Print error if pair_write does not get correct number of arguments
eaf7ed770750
·Anders Hafreager on Mar 3 2017, 06:25.

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: add npair_halffull_newton_ssa to Purge.list With the new SSA neighbor…
27d2e9bf56f0
·Tim Mattox on Mar 2 2017, 21:03.
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.
Merge branch 'USER-DPD_bugfix' into USER-DPD_kokkos, AtomVecDPD hybrid bugfix
8c625a52de92
·Tim Mattox on Mar 1 2017, 21:29.
USER-DPD bugfix: make atom_vec_dpd work properly with atom_vec_hybrid. We were…
9a560b90914c
·Tim Mattox on Mar 1 2017, 21:22.
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.
updated documentation and ev_tally
8a0e44db83de
·Jaap Kroes on Mar 1 2017, 16:13.
USER-DPD Kokkos: replicate 7a593c2f bugfix to pair_table_rx_kokkos.cpp
0982331c71fb
·Tim Mattox on Mar 1 2017, 15:49.
Merge branch 'USER-DPD_bugfix' into USER-DPD_kokkos
3ae77e718afb
·Tim Mattox on Mar 1 2017, 15:45.

Feb 28 2017

USER-DPD: correct off-by-one errors in PairMultiLucyRX::coeff()
1dc78a7e58c8
·Tim Mattox on Feb 28 2017, 23:45.
USER-DPD: correct off-by-one errors in PairTableRX::coeff()
7a593c2fc886
·Tim Mattox on Feb 28 2017, 20:25.
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.
add a few more missing details for integrating pair style kolmogorov/crespi/z
3605208a45bb
·Axel Kohlmeyer on Feb 28 2017, 17:16.
added jpg for kolmogorov-crespi-z equations and fixed hybrid/overlay check in…
323570c92036
·Jaap Kroes on Feb 28 2017, 15:39.
email added
df13a7a00382
·Jaap Kroes on Feb 28 2017, 15:12.
Added Kolmogorov-Crespi potential
a1b40b902d3e
·Jaap Kroes on Feb 28 2017, 14:59.
implement bugfix from issue #388
b921b69f4792
·Axel Kohlmeyer on Feb 28 2017, 00:22.
trigger recomputing ichunk between runs unless requested otherwise
c0cf50bce551
·Axel Kohlmeyer on Feb 28 2017, 00:19.

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.
Make pair_dpd_fdt_energy's random seed public so fix_shardlow can use it.
e4b544f934bd
·Tim Mattox on Feb 26 2017, 23:53.
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.
update AGNI potential for Al, reference runs and output and citation
a18b4ef4b0cf
·Axel Kohlmeyer on Feb 24 2017, 21:33.
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 typo in NPairHalfBinNewtonSSA::build(): sz1 instead of sx1…
19ffe5931529
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: move centroid bin of stencil_ssa to the first slot. Eliminates a…
37810bdc5302
·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.
USER-DPD: change nstencil_ssa[] to eliminate a corner case Saves a conditional…
c2ee3285fc79
·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.
USER-DPD: Rework SSA to use a new neighbor list structure, ready for Kokkos…
4b3197202ba2
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: SSA with Kokkos: make stencil's sx, sy, sz variables public
ab32d136b97e
·Tim Mattox on Feb 22 2017, 21:08.

lammps/srcmasterc7eadfdefd7f71455ab7b22…

Mar 10 2017

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Feb 28 2017

Feb 27 2017

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Feb 24 2017

Feb 22 2017

lammps/src
masterc7eadfdefd7f71455ab7b22…