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Diffusion lammps (lammm-master-deprecated) Graph

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

History Graph

CommitAuthorDetailsCommitted
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
8b71c157de92Axel Kohlmeyer
handle the no local atom case in all pppm variants better 
Mar 8 2013
ffaec63235f1Axel Kohlmeyer
whitespace cleanup 
Mar 8 2013
a512a88b1f16Axel Kohlmeyer
fix segfault in msm/omp. code is awfully slow now. 
Mar 8 2013
4fd5028c199bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9613 f3b2605a-c512-4ea7… 
Mar 7 2013
7f258bf917b0Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Mar 7 2013
ed72c6c5ae87pscrozi
Optimizations to kspace_style MSM, including improving the single-core… 
Mar 6 2013
dfd6d4b943bdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9586 f3b2605a-c512-4ea7… 
Mar 6 2013
ead9fe70299asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9582 f3b2605a-c512-4ea7… 
Mar 6 2013
adb129fe991dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9581 f3b2605a-c512-4ea7… 
Mar 6 2013
4be41208c17cAxel Kohlmeyer
add /omp version of lj/cut/tip4p/cut 
Mar 5 2013
73d3ce64072aAxel Kohlmeyer
include lj/long/coul/long versions with respa support 
Mar 1 2013
60f67d9fe925Axel Kohlmeyer
fix stupid bug reported by rolf 
Feb 26 2013
056f83db2d53Axel Kohlmeyer
remove redundant code 
Feb 24 2013
d2fef46fb3a0Axel Kohlmeyer
complete the implementation of respa/omp. tested ok. 
Feb 23 2013
ba8c0bb5bc24Axel Kohlmeyer
prepare to add support for respa/omp. compiles but non-functional 
Feb 20 2013
4ff021e8f483sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9542 f3b2605a-c512-4ea7… 
Feb 20 2013
f5dd8af3efbeAxel Kohlmeyer
simplify flag handling in package omp, add new flag 
Feb 20 2013
9c141ded2475Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Feb 19 2013
be4a5a8e54a8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9523 f3b2605a-c512-4ea7… 
Feb 18 2013
f75099c6084fAxel Kohlmeyer
remove failed attempt to implement a no-reduction multi-threaded style 
Feb 18 2013
238345f0be18Axel Kohlmeyer
some tricks to make sure arrays are cleared properly and threaded neighbor list… 
Feb 15 2013
1e655c5b7f90Axel Kohlmeyer
bugfix 
Feb 15 2013
e51ec4aab672Axel Kohlmeyer
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps… 
Feb 15 2013
a7d8b1b15b99Axel Kohlmeyer
add OpenMP pair style without newton's 3rd law. 
Feb 15 2013
00be9561e711sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9512 f3b2605a-c512-4ea7… 
Feb 15 2013
f57f4ec774c5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9511 f3b2605a-c512-4ea7… 
Feb 15 2013
1466a253d1d6Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Feb 15 2013
d08b26b38802Axel Kohlmeyer
fix small bugs. fix rigid/small/omp now works for buckyballs 
Feb 15 2013
47c4879d9fdcAxel Kohlmeyer
add /omp version of fix rigid/small. not fully functional. 
Feb 15 2013
4a8e4d535248sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9508 f3b2605a-c512-4ea7… 
Feb 15 2013
ef1541ad5b50sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9497 f3b2605a-c512-4ea7… 
Feb 14 2013
180c73261985sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9480 f3b2605a-c512-4ea7… 
Feb 14 2013
8f94aa801084sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9479 f3b2605a-c512-4ea7… 
Feb 14 2013
321483a15abdAxel Kohlmeyer
small optimization 
Feb 13 2013
fbbc7308618bAxel Kohlmeyer
some cleanups and minor optimizations 
Feb 13 2013
652c2c6135c8Axel Kohlmeyer
little performance tweak 
Feb 12 2013
bce9d8f14275Axel Kohlmeyer
add multi-threaded version of PPPM*OMP::make_rho() 
Feb 12 2013
8c7862cd79a5Axel Kohlmeyer
performance tuning and bugfix 
Feb 12 2013
9056cf0410f3Axel Kohlmeyer
give the compiler more chances to keep data in registers. 
Feb 12 2013
aae97983b888sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9449 f3b2605a-c512-4ea7… 
Feb 12 2013
0fa04785e3edsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9448 f3b2605a-c512-4ea7… 
Feb 12 2013
4ced572e0249Axel Kohlmeyer
multi-threaded pppm/tip4p. only tested serially, so far 
Feb 12 2013
2495f08cb248Axel Kohlmeyer
minor cleanups 
Feb 12 2013
2c1b7c827a35Axel Kohlmeyer
fix typo in USER-OMP management scripts 
Feb 12 2013
58ce4e594986Axel Kohlmeyer
bugfix for BSD sed 
Feb 12 2013
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