Diffusion lammps (lammm-master-deprecated) History

USER-OMP
lammm-master-deprecated

Apr 7 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11725 f3b2605a-c512-4ea7…
17998fc55a0d
·sjplimp on Apr 7 2014, 21:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11722 f3b2605a-c512-4ea7…
2f7b90b868d1
·sjplimp on Apr 7 2014, 16:34.

Apr 5 2014

make pair style tersoff/table/omp thread safe
9ca0fa9029be
·Axel Kohlmeyer on Apr 5 2014, 23:13.
need to use thread-safe accumulator for collecting pair energy
fb8250afd705
·Axel Kohlmeyer on Apr 5 2014, 22:07.
silence some warnings and make code more obvious
1772fc673967
·Axel Kohlmeyer on Apr 5 2014, 21:39.

Apr 4 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11702 f3b2605a-c512-4ea7…
ce9b5d2f3fa3
·sjplimp on Apr 4 2014, 18:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7…
0de9e4252ba7
·sjplimp on Apr 4 2014, 18:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11700 f3b2605a-c512-4ea7…
1646c124b1c3
·sjplimp on Apr 4 2014, 18:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11699 f3b2605a-c512-4ea7…
3e9c22df2465
·sjplimp on Apr 4 2014, 18:32.

Apr 2 2014

update comment
34389413124e
·Axel Kohlmeyer on Apr 2 2014, 20:24.
fix bugs introduced when maxtouch was made dynamic
b46de6ef1dbf
·Axel Kohlmeyer on Apr 2 2014, 14:56.

Mar 20 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
430aed042a86
·Axel Kohlmeyer on Mar 20 2014, 15:50.

Mar 19 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7…
d54bd651a3d1
·sjplimp on Mar 19 2014, 20:00.

Feb 27 2014

reinstate code that needed to be deleted in upstream only
7ed4a5d48a5f
·Axel Kohlmeyer on Feb 27 2014, 12:59.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
53fef3f3a372
·Axel Kohlmeyer on Feb 27 2014, 12:58.

Feb 26 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11578 f3b2605a-c512-4ea7…
1f01bb69b998
·sjplimp on Feb 26 2014, 17:10.

Feb 17 2014

undo bogus bugfix that unfixes a bugfix
2707ba954766
·Axel Kohlmeyer on Feb 17 2014, 13:53.
report OpenMP bug reported in msm/omp
83de2a63b679
·Axel Kohlmeyer on Feb 17 2014, 13:39.

Feb 14 2014

move open_potential() from pair.cpp to force.cpp and extend to bonds/angles
61af28265478
·Axel Kohlmeyer on Feb 14 2014, 20:17.

Feb 12 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11539 f3b2605a-c512-4ea7…
958a442bebbe
·sjplimp on Feb 12 2014, 02:07.

Feb 9 2014

various small cleanups and bugfixes found by checking warnings from clang
396e7165aebc
·Axel Kohlmeyer on Feb 9 2014, 23:47.

Feb 7 2014

fix some trivial formatting issues flagged by clang++
f1feacdafd31
·Axel Kohlmeyer on Feb 7 2014, 23:19.

Jan 31 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11419 f3b2605a-c512-4ea7…
47f42c2a5507
·sjplimp on Jan 31 2014, 23:39.
bugfix for computing forces in dreiding hbond pair styles
748dcbcb5b84
·Axel Kohlmeyer on Jan 31 2014, 23:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11416 f3b2605a-c512-4ea7…
823675d6be56
·sjplimp on Jan 31 2014, 15:46.

Jan 30 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11407 f3b2605a-c512-4ea7…
170ff252dbe6
·sjplimp on Jan 30 2014, 23:12.
port remaining multi-threaded neighbor list code to atom style template
d2af99f2c50a
·Axel Kohlmeyer on Jan 30 2014, 22:30.
more porting of template support to threaded neighbor lists
41ba4c7ea765
·Axel Kohlmeyer on Jan 30 2014, 04:22.
start porting changes to support atom_style template to USER-OMP
4302d3427660
·Axel Kohlmeyer on Jan 30 2014, 00:41.

Jan 28 2014

update format strings for bond, dihedral and improper warnings that use tags
bea87398b383
·Axel Kohlmeyer on Jan 28 2014, 18:53.
update hbond/dreiding/*/omp for the latest upstream changes
961d9171eb9a
·Axel Kohlmeyer on Jan 28 2014, 18:42.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
0750213978f2
·Axel Kohlmeyer on Jan 28 2014, 16:11.

Jan 27 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11345 f3b2605a-c512-4ea7…
7e5b15bb90c4
·sjplimp on Jan 27 2014, 21:53.
carry over changes from upstream
f29d16e0323c
·Axel Kohlmeyer on Jan 27 2014, 04:25.

Jan 24 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11306 f3b2605a-c512-4ea7…
418e9cf0bb62
·sjplimp on Jan 24 2014, 22:43.
fixes to compile USER-OMP with -DLAMMPS_BIGBIG
36176a9eb9df
·Axel Kohlmeyer on Jan 24 2014, 01:22.

Jan 23 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
979c5746a06c
·Axel Kohlmeyer on Jan 23 2014, 18:11.

Jan 22 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11294 f3b2605a-c512-4ea7…
48f417e21918
·sjplimp on Jan 22 2014, 18:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7…
127eb167c116
·sjplimp on Jan 22 2014, 18:44.
anticipate uplevel bugfix to r-RESPA
083b517cb002
·Axel Kohlmeyer on Jan 22 2014, 16:55.

Jan 21 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11284 f3b2605a-c512-4ea7…
4db641a9f03c
·sjplimp on Jan 21 2014, 23:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11282 f3b2605a-c512-4ea7…
b26cc714c298
·sjplimp on Jan 21 2014, 16:39.

Jan 18 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
46e8e6c12078
·Axel Kohlmeyer on Jan 18 2014, 17:52.

Jan 17 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11256 f3b2605a-c512-4ea7…
cb1ad361fbf0
·sjplimp on Jan 17 2014, 22:17.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
a6ca3cab542c
·Axel Kohlmeyer on Jan 17 2014, 02:53.

Jan 14 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7…
a1ef01fc1ae2
·sjplimp on Jan 14 2014, 17:17.

Jan 8 2014

fix bug found by paul coffman
f9ac6293ec59
·Axel Kohlmeyer on Jan 8 2014, 13:49.

Dec 19 2013

fix bug in lj/sf reported by juerg diemand
05867c27426a
·Axel Kohlmeyer on Dec 19 2013, 17:37.

Nov 25 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11054 f3b2605a-c512-4ea7…
1f844fd910e9
·sjplimp on Nov 25 2013, 17:02.

Nov 23 2013

bufixes for angle style quartic
356e22265490
·Axel Kohlmeyer on Nov 23 2013, 22:55.

Oct 31 2013

restore some changes that got dropped in the last merge
e51b1faae0bb
·Axel Kohlmeyer on Oct 31 2013, 11:53.
Merge remote branch 'lammps-ro/master' into lammps-icms
cad4e3266db9
·Axel Kohlmeyer on Oct 31 2013, 11:30.

Oct 30 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10907 f3b2605a-c512-4ea7…
0fa3867f3437
·sjplimp on Oct 30 2013, 16:42.

Oct 17 2013

remove comment that is not needed
2c0da2324edb
·Axel Kohlmeyer on Oct 17 2013, 22:20.
remove statement without effect
f3facd747c77
·Axel Kohlmeyer on Oct 17 2013, 22:15.
fix embarrassing bug in unrolled force reduction
ab49ee4f1914
·Axel Kohlmeyer on Oct 17 2013, 00:06.

Oct 5 2013

add coul/dsf/omp pair styles
ac35c46950a9
·Axel Kohlmeyer on Oct 5 2013, 23:45.
remove unused variables
38952a636910
·Axel Kohlmeyer on Oct 5 2013, 23:41.
remove excess whitespace
2b9713284c4b
·Axel Kohlmeyer on Oct 5 2013, 22:56.
added tersoff/omp style
0cc56656db65
·Axel Kohlmeyer on Oct 5 2013, 19:57.
add zbl/omp pair style
2fed2809291b
·Axel Kohlmeyer on Oct 5 2013, 18:49.

Oct 4 2013

include explicit 8x loop unrolling for faster thread data reduction
0a7fbe653a26
·Axel Kohlmeyer on Oct 4 2013, 17:24.

Oct 3 2013

complete implementation of nm/cut styles for USER-OMP
21442a6221c3
·Axel Kohlmeyer on Oct 3 2013, 21:56.
add more nm/cut pair styles for USER-OMP (still incomplete)
fee8a8b3a68e
·Axel Kohlmeyer on Oct 3 2013, 20:33.

Sep 23 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10824 f3b2605a-c512-4ea7…
995ec050cee4
·sjplimp on Sep 23 2013, 18:49.

Sep 21 2013

bugfix for multi-threaded execution of pair style adp
1348d729e811
·Axel Kohlmeyer on Sep 21 2013, 23:59.

Aug 30 2013

include proposed bugfix by rolf for per-atom computes with r-RESPA
93ddb4b0e8db
·Axel Kohlmeyer on Aug 30 2013, 16:24.

Aug 10 2013

make code compile again
8bc98421d7cb
·Axel Kohlmeyer on Aug 10 2013, 03:51.

Aug 3 2013

only update the charged particles list after reneighboring
7c7617f7e5ec
·Axel Kohlmeyer on Aug 3 2013, 19:11.

Aug 1 2013

add serial and mt version of pppm/tip4p/cg
5b2056130a88
·Axel Kohlmeyer on Aug 1 2013, 16:33.

Jul 30 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10478 f3b2605a-c512-4ea7…
641726ecd753
·sjplimp on Jul 30 2013, 01:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10477 f3b2605a-c512-4ea7…
883553303ef5
·sjplimp on Jul 30 2013, 00:32.

Jul 28 2013

more timer tweaks and simplifications
2b6468d976cd
·Axel Kohlmeyer on Jul 28 2013, 18:08.
convert to using the Timer class in ThrData instead of rolling out own
f33aa0ad2d51
·Axel Kohlmeyer on Jul 28 2013, 14:58.

Jul 26 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10417 f3b2605a-c512-4ea7…
f086c6d5fbaf
·sjplimp on Jul 26 2013, 17:53.
make sure everything compiles again
e131e2a141a4
·Axel Kohlmeyer on Jul 26 2013, 09:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10392 f3b2605a-c512-4ea7…
609842916cc0
·sjplimp on Jul 26 2013, 01:52.

Jul 24 2013

more mostly cosmetic issues found by clang
1bc62d40b215
·Axel Kohlmeyer on Jul 24 2013, 23:24.
handle clang warnings
980446c6467a
·Axel Kohlmeyer on Jul 24 2013, 22:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10318 f3b2605a-c512-4ea7…
6884feef2cee
·sjplimp on Jul 24 2013, 15:58.
adapt to changes from upstream
45df2c2d3e0d
·Axel Kohlmeyer on Jul 24 2013, 13:59.

Jul 23 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10292 f3b2605a-c512-4ea7…
ad2266e4bf6b
·sjplimp on Jul 23 2013, 17:21.
added /omp version of tip4p/cut
00d46d8490f7
·Axel Kohlmeyer on Jul 23 2013, 13:06.

Jul 22 2013

correct error messages and docs. add /omp version for tip4p/long
d255952ed9f3
·Axel Kohlmeyer on Jul 22 2013, 23:24.

Jul 19 2013

some more clang inspired cleanups
ccb9b30c99c3
·Axel Kohlmeyer on Jul 19 2013, 19:53.

Jul 18 2013

fix typo
66eb2d03100c
·Axel Kohlmeyer on Jul 18 2013, 14:11.
remove unused variables and class members, initialize where needed.
7e3328a2a717
·Axel Kohlmeyer on Jul 18 2013, 14:08.
make sure evdwl is properly initialized
f76f5ecebed5
·Axel Kohlmeyer on Jul 18 2013, 13:51.

Jul 13 2013

remove unused variables
7887ffed73b3
·Axel Kohlmeyer on Jul 13 2013, 20:35.
silence some warnings, remove dead code
9c9f752b3bb7
·Axel Kohlmeyer on Jul 13 2013, 12:10.

Jul 9 2013

add thread timers to MSM /omp styles
b249ce65f60c
·Axel Kohlmeyer on Jul 9 2013, 09:20.
Merge branch 'mypage' into lammps-icms
89efd487b1e9
·Axel Kohlmeyer on Jul 9 2013, 08:42.

Jul 8 2013

add timer support for kspace styles
f1e9f799b067
·Axel Kohlmeyer on Jul 8 2013, 23:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10230 f3b2605a-c512-4ea7…
60d49a7aad50
·sjplimp on Jul 8 2013, 22:10.
add per thread timing for bonded interactions
3f77fae0b22e
·Axel Kohlmeyer on Jul 8 2013, 20:49.
add per thread timer calls to pair styles
f6ac56bfa0fd
·Axel Kohlmeyer on Jul 8 2013, 20:34.
include neighbor list per thread timing
f188305cd903
·Axel Kohlmeyer on Jul 8 2013, 20:06.
stop using clock_gettime() since it seems to be horribly inconsistent
632b105572bb
·Axel Kohlmeyer on Jul 8 2013, 20:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10227 f3b2605a-c512-4ea7…
40319752ad79
·sjplimp on Jul 8 2013, 17:34.
more consistent handling of timer info
287c73c02f15
·Axel Kohlmeyer on Jul 8 2013, 11:02.

lammps/src/USER-OMPlammm-master-deprecated

Apr 7 2014

Apr 5 2014

Apr 4 2014

Apr 2 2014

Mar 20 2014

Mar 19 2014

Feb 27 2014

Feb 26 2014

Feb 17 2014

Feb 14 2014

Feb 12 2014

Feb 9 2014

Feb 7 2014

Jan 31 2014

Jan 30 2014

Jan 28 2014

Jan 27 2014

Jan 24 2014

Jan 23 2014

Jan 22 2014

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Jan 18 2014

Jan 17 2014

Jan 14 2014

Jan 8 2014

Dec 19 2013

Nov 25 2013

Nov 23 2013

Oct 31 2013

Oct 30 2013

Oct 17 2013

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Oct 4 2013

Oct 3 2013

Sep 23 2013

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Aug 3 2013

Aug 1 2013

Jul 30 2013

Jul 28 2013

Jul 26 2013

Jul 24 2013

Jul 23 2013

Jul 22 2013

Jul 19 2013

Jul 18 2013

Jul 13 2013

Jul 9 2013

Jul 8 2013

lammps/src/USER-OMP
lammm-master-deprecated