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Diffusion lammps (lammm-master) Graph

lammps/src/USER-OMP
lammm-master

History Graph

CommitAuthorDetailsCommitted
ab49ee4f1914Axel Kohlmeyer
fix embarrassing bug in unrolled force reduction 
Oct 17 2013
ac35c46950a9Axel Kohlmeyer
add coul/dsf/omp pair styles 
Oct 5 2013
38952a636910Axel Kohlmeyer
remove unused variables 
Oct 5 2013
2b9713284c4bAxel Kohlmeyer
remove excess whitespace 
Oct 5 2013
0cc56656db65Axel Kohlmeyer
added tersoff/omp style 
Oct 5 2013
2fed2809291bAxel Kohlmeyer
add zbl/omp pair style 
Oct 5 2013
0a7fbe653a26Axel Kohlmeyer
include explicit 8x loop unrolling for faster thread data reduction 
Oct 4 2013
21442a6221c3Axel Kohlmeyer
complete implementation of nm/cut styles for USER-OMP 
Oct 3 2013
fee8a8b3a68eAxel Kohlmeyer
add more nm/cut pair styles for USER-OMP (still incomplete) 
Oct 3 2013
995ec050cee4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10824 f3b2605a-c512-4ea7… 
Sep 23 2013
1348d729e811Axel Kohlmeyer
bugfix for multi-threaded execution of pair style adp 
Sep 21 2013
93ddb4b0e8dbAxel Kohlmeyer
include proposed bugfix by rolf for per-atom computes with r-RESPA 
Aug 30 2013
8bc98421d7cbAxel Kohlmeyer
make code compile again 
Aug 10 2013
7c7617f7e5ecAxel Kohlmeyer
only update the charged particles list after reneighboring 
Aug 3 2013
5b2056130a88Axel Kohlmeyer
add serial and mt version of pppm/tip4p/cg 
Aug 1 2013
641726ecd753sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10478 f3b2605a-c512-4ea7… 
Jul 30 2013
883553303ef5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10477 f3b2605a-c512-4ea7… 
Jul 30 2013
2b6468d976cdAxel Kohlmeyer
more timer tweaks and simplifications 
Jul 28 2013
f33aa0ad2d51Axel Kohlmeyer
convert to using the Timer class in ThrData instead of rolling out own 
Jul 28 2013
f086c6d5fbafsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10417 f3b2605a-c512-4ea7… 
Jul 26 2013
e131e2a141a4Axel Kohlmeyer
make sure everything compiles again 
Jul 26 2013
609842916cc0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10392 f3b2605a-c512-4ea7… 
Jul 26 2013
1bc62d40b215Axel Kohlmeyer
more mostly cosmetic issues found by clang 
Jul 24 2013
980446c6467aAxel Kohlmeyer
handle clang warnings 
Jul 24 2013
6884feef2ceesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10318 f3b2605a-c512-4ea7… 
Jul 24 2013
45df2c2d3e0dAxel Kohlmeyer
adapt to changes from upstream 
Jul 24 2013
ad2266e4bf6bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10292 f3b2605a-c512-4ea7… 
Jul 23 2013
00d46d8490f7Axel Kohlmeyer
added /omp version of tip4p/cut 
Jul 23 2013
d255952ed9f3Axel Kohlmeyer
correct error messages and docs. add /omp version for tip4p/long 
Jul 22 2013
ccb9b30c99c3Axel Kohlmeyer
some more clang inspired cleanups 
Jul 19 2013
66eb2d03100cAxel Kohlmeyer
fix typo 
Jul 18 2013
7e3328a2a717Axel Kohlmeyer
remove unused variables and class members, initialize where needed. 
Jul 18 2013
f76f5ecebed5Axel Kohlmeyer
make sure evdwl is properly initialized 
Jul 18 2013
7887ffed73b3Axel Kohlmeyer
remove unused variables 
Jul 13 2013
9c9f752b3bb7Axel Kohlmeyer
silence some warnings, remove dead code 
Jul 13 2013
b249ce65f60cAxel Kohlmeyer
add thread timers to MSM /omp styles 
Jul 9 2013
89efd487b1e9Axel Kohlmeyer
Merge branch 'mypage' into lammps-icms 
Jul 9 2013
f1e9f799b067Axel Kohlmeyer
add timer support for kspace styles 
Jul 8 2013
60d49a7aad50sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10230 f3b2605a-c512-4ea7… 
Jul 8 2013
3f77fae0b22eAxel Kohlmeyer
add per thread timing for bonded interactions 
Jul 8 2013
f6ac56bfa0fdAxel Kohlmeyer
add per thread timer calls to pair styles 
Jul 8 2013
f188305cd903Axel Kohlmeyer
include neighbor list per thread timing 
Jul 8 2013
632b105572bbAxel Kohlmeyer
stop using clock_gettime() since it seems to be horribly inconsistent 
Jul 8 2013
40319752ad79sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10227 f3b2605a-c512-4ea7… 
Jul 8 2013
287c73c02f15Axel Kohlmeyer
more consistent handling of timer info 
Jul 8 2013
3c289419b0dfAxel Kohlmeyer
clean up MyPage API to go without public variables and use aligned malloc 
Jul 8 2013
d8dec88599b9Axel Kohlmeyer
bugfix for comb/omp 
Jul 7 2013
278eaaaeff02Axel Kohlmeyer
port new memory allocation strategy to OpenMP for the rest (untested) 
Jul 7 2013
9db2350af159Axel Kohlmeyer
incorporate changes from steve with adjustments for OpenMP 
Jul 7 2013
372a09b85211Axel Kohlmeyer
refactored thread timing output to be similar to MPI time stats 
Jul 5 2013
799a70c4a9a7Axel Kohlmeyer
add tag for neighborlist timing 
Jul 5 2013
d218872dfaafAxel Kohlmeyer
Merge branch 'omp-timer' into lammps-icms 
Jul 4 2013
1cc714e1b4fbAxel Kohlmeyer
revert changes to granular styles and neighborlists for now. 
Jul 4 2013
ab48c500a723Axel Kohlmeyer
make granular neighbor list compile. 
Jul 4 2013
92b284468b88Axel Kohlmeyer
implement per thread timer breakdown 
Jul 4 2013
f77ac8175847Axel Kohlmeyer
cleanups 
Jun 30 2013
6553258ee993Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 30 2013
d2c3a96a9a26sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10200 f3b2605a-c512-4ea7… 
Jun 29 2013
a22353de08beAxel Kohlmeyer
add USER-OMP support for new nb3/harmonic pair potential 
Jun 29 2013
ed387105c842Axel Kohlmeyer
include updates to rigid body integration for granular particles from upstream 
Jun 29 2013
3428df4c4b90sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10167 f3b2605a-c512-4ea7… 
Jun 28 2013
f37ae6cb7476sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7… 
Jun 28 2013
737e5e6c3dfdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10150 f3b2605a-c512-4ea7… 
Jun 28 2013
1c337c837cacAxel Kohlmeyer
permission cleanup 
Jun 28 2013
71a19e3883cdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10114 f3b2605a-c512-4ea7… 
Jun 27 2013
cf7f34401c35Axel Kohlmeyer
teach pair potentials to open potential files via open_potential() 
Jun 27 2013
0e045500433fAxel Kohlmeyer
massive patch to flag non-numeric input 
Jun 23 2013
6ed180b82a7cAxel Kohlmeyer
import bugfix from rolf isele-holder 
Jun 19 2013
6bc744ed4cf7Axel Kohlmeyer
import bugfix from serial version of dihedral/nharmonic 
Jun 9 2013
e240e15c4d5fAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 9 2013
00fe31ddd407sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10052 f3b2605a-c512-4ea7… 
Jun 8 2013
c9710e0c20adAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 7 2013
5a7652a8b4e6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10033 f3b2605a-c512-4ea7… 
Jun 6 2013
ce2b853e4a11Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 1 2013
a5da3aa1ce77sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9987 f3b2605a-c512-4ea7… 
May 31 2013
f7c48d0ee3fdAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
May 30 2013
3114525261feAxel Kohlmeyer
Merge branch 'package-management' into lammps-icms 
May 30 2013
c8f46921416aAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 30 2013
6eaf86ff6827Axel Kohlmeyer
improved Install.sh for USER-OMP 
May 30 2013
61213fbfb69dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9931 f3b2605a-c512-4ea7… 
May 29 2013
24dc52cb69a0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9928 f3b2605a-c512-4ea7… 
May 28 2013
00896fb9815dAxel Kohlmeyer
fix typo. 
May 10 2013
3d5d72866157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9860 f3b2605a-c512-4ea7… 
May 10 2013
c1b6654dbc9cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 10 2013
7018102f9f78sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9847 f3b2605a-c512-4ea7… 
May 8 2013
2a67f644a896sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9720 f3b2605a-c512-4ea7… 
Apr 1 2013
32f9fc8afc87Axel Kohlmeyer
zero list length bug in all bond/angle/dihedral/improper /omp styles 
Mar 26 2013
c888137ebad7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9703 f3b2605a-c512-4ea7… 
Mar 21 2013
a289ce92d7a9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9701 f3b2605a-c512-4ea7… 
Mar 21 2013
b1da57a59b65Axel Kohlmeyer
fix bug with multi-threaded respa neighbor lists reported by rolf 
Mar 19 2013
e2e81459604eAxel Kohlmeyer
simplify locking for respa neighbor lists 
Mar 19 2013
9b7c9b0d1e9aAxel Kohlmeyer
import long/disp updates from rolf 
Mar 19 2013
a3603ca40fcaAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 16 2013
28480c5221d5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9688 f3b2605a-c512-4ea7… 
Mar 14 2013
eeecd6980262sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9680 f3b2605a-c512-4ea7… 
Mar 14 2013
5ce9fbe0baf6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9626 f3b2605a-c512-4ea7… 
Mar 11 2013
6332d404d52dAxel Kohlmeyer
improved version of msm/omp from stan 
Mar 8 2013
04c6cca84b38Axel Kohlmeyer
more changes to protect the pppm*/omp styles from segfaulting 
Mar 8 2013
6f0a56be5c8bAxel Kohlmeyer
add support for per-atom virial 
Mar 8 2013
8861fa1340a0Axel Kohlmeyer
define nlocal outside of OpenMP region 
Mar 8 2013
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