Diffusion lammps (master) History

KOKKOS
masterc3c9f357fdfa6753eaa056b…

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.

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.

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.

Jun 15 2017

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

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 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.

Mar 28 2017

avoid segfault when calling PPPM*::memory_usage() before grid communication is…
28bdebd3c045
·Axel Kohlmeyer on Mar 28 2017, 13:50.

Mar 14 2017

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

Mar 10 2017

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

Mar 9 2017

Fixing memory overflow issue in comm_kokkos
a001a5ceb0c4
·Stan Moore on Mar 9 2017, 20:20.

Mar 8 2017

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 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 3 2017

Improving memory access in comm_kokkos
6382d3c89a2f
·Stan Moore on Mar 3 2017, 17:14.

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 8 2017

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

Feb 3 2017

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.
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.
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 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.
Adding support to npair_kokkos for triclinic-newton-on neighborlists
5afd3e995b74
·Stan Moore on Jan 27 2017, 22:18.
more preference of datamask over custom sync
2a6f5e651ce6
·Dan Ibanez on Jan 27 2017, 17:35.
kspace & dihedral can't do their own sync/modify
09fc8b0bd731
·Dan Ibanez on Jan 27 2017, 16:39.
pppm_kokkos: remove useless statement
e5d0bde78339
·Dan Ibanez on Jan 27 2017, 16:35.
pppm_kokkos: don't shadow member variables
9daf7fb6509e
·Dan Ibanez on Jan 27 2017, 16:35.
pppm_kokkos: remove unused variables
b5d622c6a381
·Dan Ibanez on Jan 27 2017, 16:35.
add missing KOKKOS_INLINE_FUNCTION for params
f0a4ed615dc5
·Dan Ibanez on Jan 27 2017, 16:35.

Jan 26 2017

Merge pull request #354 from stanmoore1/kokkos_bugfixes
18e55843113a
·sjplimp / GitHub on Jan 26 2017, 21:51.
add more missing KOKKOS_INLINE_FUNCTION attributes
672bbbe494df
·Dan Ibanez on Jan 26 2017, 00:03.

Jan 25 2017

add missing KOKKOS_INLINE_FUNCTION attributes
03c9c4653386
·Dan Ibanez on Jan 25 2017, 23:49.
remove unused variable
053ee54a274c
·Dan Ibanez on Jan 25 2017, 23:38.
add missing return keywords
1074c6734be5
·Dan Ibanez on Jan 25 2017, 23:37.
add missing KOKKOS_INLINE_FUNCTION attributes
60b48c9d661f
·Dan Ibanez on Jan 25 2017, 23:36.
fix double-return warning
6328beb7d791
·Dan Ibanez on Jan 25 2017, 23:22.
Fixing GPU memory issue in fix_langevin_kokkos
26c8d3d98f47
·Stan Moore on Jan 25 2017, 20:53.
Fixing GPU memory issue in domain_kokkos
73177d650de3
·Stan Moore on Jan 25 2017, 19:18.

Jan 20 2017

Merge pull request #346 from stanmoore1/kokkos_fixes
5d0e4e1ba971
·sjplimp / GitHub on Jan 20 2017, 21:15.
simplified neighbor list copying to avoid possible same-timestep re-build issues
9a299875dade
·Steve Plimpton on Jan 20 2017, 01:01.

Jan 19 2017

Fixing GPU memory issues in Kokkos
fc94f1bd18ef
·Stan Moore on Jan 19 2017, 20:14.
Fixing GPU memory issue in modify_kokkos, need to cherry pick back to Master
5ce8e2fbaea3
·Stan Moore on Jan 19 2017, 20:13.

Jan 17 2017

Merge pull request #341 from stanmoore1/qeq_kk_neighlist
cd7bdf9251b6
·sjplimp / GitHub on Jan 17 2017, 17:13.

Jan 15 2017

Removing neighbor list hack in fix_qeq_reax_kokkos
b220850377e5
·Stan Gerald Moore (stamoor) on Jan 15 2017, 00:16.

Jan 12 2017

put pair_lj_coul in kokkos_type.h
c94030d96631
·Dan Ibanez on Jan 12 2017, 21:37.

Jan 11 2017

fix a CUDA constructor warning
9f4e5e06616c
·Dan Ibanez on Jan 11 2017, 17:11.

Jan 6 2017

Merge pull request #324 from ibaned/pair-table-kokkos-inherit
63f202501b27
·sjplimp / GitHub on Jan 6 2017, 18:10.
Merge pull request #314 from stanmoore1/fix-momentum-kokkos
467377094aad
·sjplimp / GitHub on Jan 6 2017, 18:01.
Merge pull request #313 from stanmoore1/kokkos_bugfixes
5656e90b7882
·sjplimp / GitHub on Jan 6 2017, 18:00.
pair TIP4P bug fix for cutoffs >> box size
f6a819580c6b
·Steve Plimpton on Jan 6 2017, 17:57.

Jan 5 2017

fix several GPU memory bugs in pair_table_kokkos
53a1de1d4081
·Dan Ibanez / Dan Ibanez on Jan 5 2017, 23:38.
fix crash in create_kokkos_tables
d059b5d3344f
·Dan Ibanez / Dan Ibanez on Jan 5 2017, 23:38.
fix allocation regressions in PairTableKokkos
7cff343680ce
·Dan Ibanez on Jan 5 2017, 23:38.
PairTableKokkos : public PairTable
a1ac86108494
·Dan Ibanez on Jan 5 2017, 23:38.
try PairTableKokkos : public PairTable
17bdb57bb469
·Dan Ibanez on Jan 5 2017, 23:38.

Jan 4 2017

fix warning about enum comparisons
4cfe122ac692
·Dan Ibanez / Stan Moore on Jan 4 2017, 16:10.

lammps/src/KOKKOSmasterc3c9f357fdfa6753eaa056b…

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lammps/src/KOKKOS
masterc3c9f357fdfa6753eaa056b…