Diffusion lammps (master) History

KOKKOS
master084d831bce017e63c6557ba…

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.
Merge pull request #5 from ibaned/kokkos-fixes
b46629ee39f2
·Stan Moore / GitHub on Jan 4 2017, 16:06.

Jan 3 2017

prevent implicit dereference of s_CTEMP
a7c5905ca4ec
·Dan Ibanez on Jan 3 2017, 23:17.

Dec 28 2016

Disallowing full neighborlist for pair_tersoff_kokkos styles until a bugfix is…
eca9539f84f7
·Stan Moore / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:59.
Fixing Kokkos bug when many atom types
27172c4a553b
·Stan Moore / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:59.
Fixing bug with Kokkos and reading restart files
4f195254af35
·Stan Moore / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:59.
rename region_block_kokkos inside()
9a0007a13f43
·Dan Ibanez / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:56.
silence "implicit dereference" warning
994f36bc6f8b
·Dan Ibanez / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:56.
add missing return in comm_tiled_kokkos
b3557bfbf50f
·Dan Ibanez / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:55.
repair sync bugs in fix_momentum_kokkos
371df8ea72d6
·Dan Ibanez / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:51.
ensure velocity is marked as modified before syncing
06ae2804f6c2
·Dan Ibanez / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:51.

Dec 21 2016

need to sync new velocities back to host
ae8d882b0302
·Dan Ibanez on Dec 21 2016, 18:57.
workaround CUDA View::reference_type
7559bc9c5f25
·Dan Ibanez on Dec 21 2016, 18:21.
allow constructing Few from array on device
f3327ca214c6
·Dan Ibanez on Dec 21 2016, 17:21.
allow fix momentum angular with CUDA
54963ba7da9b
·Dan Ibanez on Dec 21 2016, 16:55.
CUDA-friendly fix_momentum_kokkos angular
ea76041803b9
·Dan Ibanez on Dec 21 2016, 16:54.
draft CUDA-callable version of Domain::unmap
7fb4faa4392e
·Dan Ibanez on Dec 21 2016, 16:53.
allow constructing Few from C array
41c9357ddea6
·Dan Ibanez on Dec 21 2016, 16:53.
get fix_momentum_kokkos to compile on White
d9a0f575f6ce
·Dan Ibanez on Dec 21 2016, 16:01.
put Few in the global namespace...
01e3a316395d
·Dan Ibanez on Dec 21 2016, 16:01.
silence warning about partial x2lamda overload
992becc75fea
·Dan Ibanez on Dec 21 2016, 16:00.
start working on fix_momentum Kokkos+CUDA
b2b33cca16aa
·Dan Ibanez on Dec 21 2016, 00:30.
install kokkos_few, and remove Int
2ceee6b9be3a
·Dan Ibanez on Dec 21 2016, 00:19.
start porting my Few class into this code
386c12c970c1
·Dan Ibanez on Dec 21 2016, 00:09.

Dec 20 2016

fix_momentum_kokkos: don't override init()
590f31755091
·Dan Ibanez on Dec 20 2016, 19:03.

Dec 19 2016

preemptive changes for Kokkos+CUDA
c7ac9e79cb9e
·Dan Ibanez on Dec 19 2016, 21:17.
got fix_momentum_kokkos to compile
ca30c1ec8850
·Dan Ibanez on Dec 19 2016, 21:08.
draft the parallel_* constructs based on lambdas
a1b441a71fa7
·Dan Ibanez on Dec 19 2016, 20:02.
first draft
f6f2170369e9
·Dan Ibanez on Dec 19 2016, 19:28.

Dec 12 2016

Fixing Kokkos compile error
13b6196b8235
·Stan Moore on Dec 12 2016, 18:47.
Updating to master
a31b00965a81
·Stan Moore on Dec 12 2016, 17:18.

Dec 9 2016

More changes for Kokkos neighbor
43c459ba5694
·Stan Moore on Dec 9 2016, 23:56.
Small tweaks to Kokkos neighbor
435421301b0b
·Stan Moore on Dec 9 2016, 16:37.

Dec 8 2016

Removing used Kokkos file
9b48c49f8348
·Stan Moore on Dec 8 2016, 17:18.

Dec 7 2016

Kokkos neighbor refactor
8318c6781697
·Stan Moore on Dec 7 2016, 21:00.

Nov 17 2016

Merge pull request #242 from andeplane/vashishta_kokkos
cdae7943833d
·sjplimp / GitHub on Nov 17 2016, 17:00.
Kokkos updates by Stan
8756a1017dc8
·Steve Plimpton on Nov 17 2016, 16:58.

Nov 9 2016

Stan bug fixes for fix reaxc/bonds/kk
9806da69f3f9
·Steve Plimpton on Nov 9 2016, 23:47.

lammps/src/KOKKOSmaster084d831bce017e63c6557ba…

Feb 21 2017

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Nov 9 2016

lammps/src/KOKKOS
master084d831bce017e63c6557ba…