Diffusion lammps (lammm-master) History

USER-OMP
lammm-masterb0ffa46a3bb994e3fe0c157…

Oct 17 2013

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.
clean up MyPage API to go without public variables and use aligned malloc
3c289419b0df
·Axel Kohlmeyer on Jul 8 2013, 09:17.

Jul 7 2013

bugfix for comb/omp
d8dec88599b9
·Axel Kohlmeyer on Jul 7 2013, 21:42.
port new memory allocation strategy to OpenMP for the rest (untested)
278eaaaeff02
·Axel Kohlmeyer on Jul 7 2013, 20:42.
incorporate changes from steve with adjustments for OpenMP
9db2350af159
·Axel Kohlmeyer on Jul 7 2013, 16:54.

Jul 5 2013

refactored thread timing output to be similar to MPI time stats
372a09b85211
·Axel Kohlmeyer on Jul 5 2013, 19:50.
add tag for neighborlist timing
799a70c4a9a7
·Axel Kohlmeyer on Jul 5 2013, 17:52.

Jul 4 2013

Merge branch 'omp-timer' into lammps-icms
d218872dfaaf
·Axel Kohlmeyer on Jul 4 2013, 18:15.
revert changes to granular styles and neighborlists for now.
1cc714e1b4fb
·Axel Kohlmeyer on Jul 4 2013, 18:15.
make granular neighbor list compile.
ab48c500a723
·Axel Kohlmeyer on Jul 4 2013, 17:23.
implement per thread timer breakdown
92b284468b88
·Axel Kohlmeyer on Jul 4 2013, 14:52.

Jun 30 2013

cleanups
f77ac8175847
·Axel Kohlmeyer on Jun 30 2013, 12:45.
Merge remote branch 'lammps-ro/master' into lammps-icms
6553258ee993
·Axel Kohlmeyer on Jun 30 2013, 12:41.