Diffusion lammps (master) History

lammps/src
mastera341a6bca927e84a9fc947e…

Feb 24 2017

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.
USER-DPD: Save pointer to the NPair used to create the NeighList Gives a user…
151b3f552bfd
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: SSA with Kokkos: Reorder stencil subphases to make things easier.
52aaad907f35
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: Use subphases when processing AIR zero (locals) in SSA. NOTE: pair…
be166cb5bf37
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: Split the SSA stencil and neighbor list into subphases. NOTE: pair…
ee83b755eae4
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: renumber AIRs back to 1-7 for ghosts, and just 0 for locals. This…
ce2da5068b6e
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: remove use of ssaAIR[], move coord2ssaAIR() to nbin_ssa.cpp Saves an…
641bb4bb16c8
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: remove broken code for building SSA half neighbor list from full
f73c9a43aba9
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: remove unneeded gairct_ssa[] & anum vars, and some > 0 guards
3dddeef365cf
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: properly compute AIRct_ssa values, and use them in fix_shardlow.
fb279a87f5ea
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: Correct an error message typo.
e9d46f4e7acb
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: track & use the extent of the local atoms in the bins
e42678ed517d
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: Make another version of coord2bin() for nbin_ssa
ff2786c86c4c
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: Copy inline coord2bin() functions from nbin_kokkos into nbin_ssa
638448676404
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: new neighbor list code for SSA that gives neighbors to ghosts. This…
0512e7886067
·Tim Mattox on Feb 22 2017, 21:08.
USER-DPD: make pair_dpd_fdt* check more generically for use of fix_shardlow…
2db66e49b444
·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.
patch 21Feb17 sync with GHub
49e83b434800
·Steve Plimpton on Feb 22 2017, 00:07.

Feb 21 2017

Merge pull request #385 from akohlmey/collected-small-bugfixes
6e89ccd522f5
·sjplimp / GitHub on Feb 21 2017, 23:59.
remove a debug print line
3dbbea342a3b
·Steve Plimpton on Feb 21 2017, 23:57.
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.
Merge pull request #379 from ndtrung81/pppm-gpu-compute-group-group
d001a093455b
·sjplimp / GitHub on Feb 21 2017, 23:50.
Merge pull request #378 from timattox/USER-DPD_ssa_update
cb9d42da0896
·sjplimp / GitHub on Feb 21 2017, 23:50.
new SNAP potential for W
1cd4c48cccdb
·Steve Plimpton on Feb 21 2017, 23:49.

Feb 17 2017

correct a logic bug in fix wall/gran/region
a88136c3f50d
·Axel Kohlmeyer on Feb 17 2017, 23:58.

Feb 15 2017

Add copymode protection to class2 styles
5f93fad012d8
·Stan Moore on Feb 15 2017, 21:56.
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 14 2017

Fixed bugs with pppm/gpu when used with compute group/group
20806dd86acf
·Trung Nguyen on Feb 14 2017, 07:26.

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.
Added Kokkos-like array datatype into RK4 and RHS in FixRXKokkos.
4ac7a5d1f2e6
·Christopher Stone on Feb 13 2017, 22:33.
Added ODE diagnostics to FixRxKokkos using Kokkos managed data.
93d99ec8d057
·Christopher Stone on Feb 13 2017, 22:33.
Code clean-up for FixRxKokkos.
4e8351d9c8cb
·Christopher Stone on Feb 13 2017, 22:33.
Fixed errors in FixRxKokkos kokkos neighbor lists initialization and usage and…
f2d005fb8db0
·Christopher Stone on Feb 13 2017, 22:33.
Added setup_pre_force, pack/unpack methods to FixRxKokkos.
0d57a1d831e6
·Christopher Stone on Feb 13 2017, 22:33.
Added kokkos datatypes to FixRxKokkos::computeLocalTemperature(...)
acba25c38312
·Christopher Stone on Feb 13 2017, 22:33.
Updates to FixRxKokkos ...
843f3a919256
·Christopher Stone on Feb 13 2017, 22:33.
Updated FixRxKokkos to use kokkos-managed data objects.
2ea900df007e
·Christopher Stone on Feb 13 2017, 22:33.
Updated KOKKOS installer and updated USER-DPD FixRx to match KOKKOS version.
70fa9189a8c8
·Christopher Stone on Feb 13 2017, 22:33.
Added kokkos-managed parameters for FixRxKokkos.
41d3903f5a72
·Christopher Stone on Feb 13 2017, 22:33.
Initial bare-bones port of FixRX to Kokkos.
43d61f313f56
·Christopher Stone on Feb 13 2017, 22:33.
Merge branch 'USER-DPD_ssa_update' into USER-DPD_kokkos
dc16228a602d
·Tim Mattox on Feb 13 2017, 21:03.
USER-DPD: performance optimizations to ssa_update() in fix_shardlow Overall…
15008c9d1889
·Tim Mattox on Feb 13 2017, 19:11.
Merge branch 'master' into USER-DPD_kokkos as of patch 13Feb17
96a43e8ef1a4
·Tim Mattox on Feb 13 2017, 18:29.
sync 13Feb17 patch back to GH
cb982f2f28ab
·Steve Plimpton on Feb 13 2017, 17:05.
Merge pull request #372 from akohlmey/fft-cleanup
4843296d4e57
·sjplimp / GitHub on Feb 13 2017, 16:53.
patch 12Feb17 - change int to tagint for compute group/group
2bdda8f6c013
·Steve Plimpton on Feb 13 2017, 16:40.

Feb 10 2017

added molecule option to compute group/group command
0068ef56168f
·Steve Plimpton on Feb 10 2017, 17:25.

Feb 8 2017

fix typo
a5f830c40c6e
·Axel Kohlmeyer on Feb 8 2017, 20:33.

Feb 6 2017

Merge branch 'master' into USER-DPD_kokkos Fixed trivial merge conflict in…
dc9c2399b28d
·Tim Mattox on Feb 6 2017, 21:45.

Feb 3 2017

Merge branch 'master' into fft-cleanup
191453e1c73d
·Axel Kohlmeyer on Feb 3 2017, 22:53.
Merge pull request #373 from stanmoore1/kk_more_bugfixes
207adc3968ff
·sjplimp / GitHub on Feb 3 2017, 22:45.
Merge pull request #368 from Pakketeretet2/kokkos_morse
84c517159d07
·sjplimp / GitHub on Feb 3 2017, 22:45.
Merge pull request #366 from rbberger/kokkos_lammps_bigbig_fix
6ca377436f8b
·sjplimp / GitHub on Feb 3 2017, 22:43.
Merge pull request #362 from ibaned/warnings2
dc34a32602ef
·sjplimp / GitHub on Feb 3 2017, 22:43.

Feb 2 2017

Adding missing friend statement to pair_lj_class2_coul_cut_kokkos
067119f6c642
·Stan Moore on Feb 2 2017, 23:21.
Fixing more Kokkos per-atom and fdotr issues
1834a5e46c3a
·Stan Moore on Feb 2 2017, 23:21.
Fixing typo in pair_buck_coul_cut_kokkos
6a4918b39abe
·Stan Moore on Feb 2 2017, 23:21.
Fixing fdotr in pair_buck_coul_cut_kokkos
5da0d393921d
·Stan Moore on Feb 2 2017, 21:35.
Fixing per-atom ev issue
6f92429602d6
·Stan Moore on Feb 2 2017, 21:34.
Add missing typedef in Kokkos pair styles
38e0e4bb69ff
·Stan Moore on Feb 2 2017, 21:24.
Fixing Kokkos per-atom e/v issue
daf9f95381c2
·Stan Moore on Feb 2 2017, 21:09.
Merge pull request #2 from stanmoore1/kk_tag_bugfixes
6bcec9c61d18
·Richard Berger / GitHub on Feb 2 2017, 14:57.
remove support for obsolete legacy FFT libraries and point -DFFT_FFTW to FFTW3
9d1991bf840c
·Axel Kohlmeyer on Feb 2 2017, 14:10.
Updated contributing authors and docs
0a87b7443a75
·Stefan Paquay on Feb 2 2017, 13:42.

Feb 1 2017

Fixing tagint and imageint issues in Kokkos package
7ee45ec5f354
·Stan Moore on Feb 1 2017, 19:52.
Ported Morse to KOKKOS
d4c9e2500be8
·Stefan Paquay on Feb 1 2017, 17:45.
Removed traces of pair morse/kk
6232073d3b76
·Stefan Paquay on Feb 1 2017, 17:39.
Removed traces of pair morse/kk
ed59193d13f8
·Stefan Paquay on Feb 1 2017, 17:39.
silence compiler warning about dead code
bcb1d94b9a12
·Axel Kohlmeyer on Feb 1 2017, 00:28.
correct issue with compiling for -DLAMMPS_BIGBIG in fix qeq/reax/kk
fbe30b56835c
·Axel Kohlmeyer on Feb 1 2017, 00:13.

Jan 31 2017

Merge branch 'kokkos_lammps_bigbig_fix' of https://github.com/rbberger/lammps…
9ef55fedf795
·Axel Kohlmeyer on Jan 31 2017, 23:23.

Jan 30 2017

Merge branch 'master' into USER-DPD_kokkos
b3e9006aefcb
·Tim Mattox on Jan 30 2017, 18:04.
Merge pull request #364 from stanmoore1/kk_triclinic_neighlist
997142a4c1d4
·sjplimp / GitHub on Jan 30 2017, 15:27.

Jan 28 2017

Fix data type of molecule array in npair_kokkos.h
51a0b6b445e5
·Richard Berger on Jan 28 2017, 13:49.

Jan 27 2017

Whitespace change to npair_kokkos
59f4a77dd509
·Stan Moore on Jan 27 2017, 23:17.
More tweaks to npair_kokkos for triclinic
579cc6d7aab5
·Stan Moore on Jan 27 2017, 23:13.

lammps/srcmastera341a6bca927e84a9fc947e…

Feb 24 2017

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lammps/src
mastera341a6bca927e84a9fc947e…