Diffusion lammps (efficient_neuronet) History

USER-OMP
efficient_neuronet

Jul 8 2013

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.

Jun 29 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10200 f3b2605a-c512-4ea7…
d2c3a96a9a26
·sjplimp on Jun 29 2013, 23:28.
add USER-OMP support for new nb3/harmonic pair potential
a22353de08be
·Axel Kohlmeyer on Jun 29 2013, 14:14.
include updates to rigid body integration for granular particles from upstream
ed387105c842
·Axel Kohlmeyer on Jun 29 2013, 13:54.

Jun 28 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10167 f3b2605a-c512-4ea7…
3428df4c4b90
·sjplimp on Jun 28 2013, 21:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7…
f37ae6cb7476
·sjplimp on Jun 28 2013, 21:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10150 f3b2605a-c512-4ea7…
737e5e6c3dfd
·sjplimp on Jun 28 2013, 18:55.
permission cleanup
1c337c837cac
·Axel Kohlmeyer on Jun 28 2013, 13:15.

Jun 27 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10114 f3b2605a-c512-4ea7…
71a19e3883cd
·sjplimp on Jun 27 2013, 23:44.
teach pair potentials to open potential files via open_potential()
cf7f34401c35
·Axel Kohlmeyer on Jun 27 2013, 20:49.

Jun 23 2013

massive patch to flag non-numeric input
0e045500433f
·Axel Kohlmeyer on Jun 23 2013, 14:34.

Jun 19 2013

import bugfix from rolf isele-holder
6ed180b82a7c
·Axel Kohlmeyer on Jun 19 2013, 18:09.

Jun 9 2013

import bugfix from serial version of dihedral/nharmonic
6bc744ed4cf7
·Axel Kohlmeyer on Jun 9 2013, 14:40.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e240e15c4d5f
·Axel Kohlmeyer on Jun 9 2013, 14:35.

Jun 8 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10052 f3b2605a-c512-4ea7…
00fe31ddd407
·sjplimp on Jun 8 2013, 23:35.

Jun 7 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
c9710e0c20ad
·Axel Kohlmeyer on Jun 7 2013, 14:49.

Jun 6 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10033 f3b2605a-c512-4ea7…
5a7652a8b4e6
·sjplimp on Jun 6 2013, 16:53.

Jun 1 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
ce2b853e4a11
·Axel Kohlmeyer on Jun 1 2013, 13:53.

May 31 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9987 f3b2605a-c512-4ea7…
a5da3aa1ce77
·sjplimp on May 31 2013, 17:17.

May 30 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
f7c48d0ee3fd
·Axel Kohlmeyer on May 30 2013, 13:28.
Merge branch 'package-management' into lammps-icms
3114525261fe
·Axel Kohlmeyer on May 30 2013, 11:45.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
c8f46921416a
·Axel Kohlmeyer on May 30 2013, 11:45.
improved Install.sh for USER-OMP
6eaf86ff6827
·Axel Kohlmeyer on May 30 2013, 11:41.

May 29 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9931 f3b2605a-c512-4ea7…
61213fbfb69d
·sjplimp on May 29 2013, 17:04.

May 28 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9928 f3b2605a-c512-4ea7…
24dc52cb69a0
·sjplimp on May 28 2013, 16:21.

May 10 2013

fix typo.
00896fb9815d
·Axel Kohlmeyer on May 10 2013, 19:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9860 f3b2605a-c512-4ea7…
3d5d72866157
·sjplimp on May 10 2013, 19:30.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
c1b6654dbc9c
·Axel Kohlmeyer on May 10 2013, 10:03.

May 8 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9847 f3b2605a-c512-4ea7…
7018102f9f78
·sjplimp on May 8 2013, 23:08.

Apr 1 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9720 f3b2605a-c512-4ea7…
2a67f644a896
·sjplimp on Apr 1 2013, 17:50.

Mar 26 2013

zero list length bug in all bond/angle/dihedral/improper /omp styles
32f9fc8afc87
·Axel Kohlmeyer on Mar 26 2013, 11:37.

Mar 21 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9703 f3b2605a-c512-4ea7…
c888137ebad7
·sjplimp on Mar 21 2013, 18:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9701 f3b2605a-c512-4ea7…
a289ce92d7a9
·sjplimp on Mar 21 2013, 18:36.

Mar 19 2013

fix bug with multi-threaded respa neighbor lists reported by rolf
b1da57a59b65
·Axel Kohlmeyer on Mar 19 2013, 16:59.
simplify locking for respa neighbor lists
e2e81459604e
·Axel Kohlmeyer on Mar 19 2013, 11:26.
import long/disp updates from rolf
9b7c9b0d1e9a
·Axel Kohlmeyer on Mar 19 2013, 11:25.

Mar 16 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
a3603ca40fca
·Axel Kohlmeyer on Mar 16 2013, 10:18.

Mar 14 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9688 f3b2605a-c512-4ea7…
28480c5221d5
·sjplimp on Mar 14 2013, 17:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9680 f3b2605a-c512-4ea7…
eeecd6980262
·sjplimp on Mar 14 2013, 15:30.

Mar 11 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9626 f3b2605a-c512-4ea7…
5ce9fbe0baf6
·sjplimp on Mar 11 2013, 15:53.

Mar 8 2013

improved version of msm/omp from stan
6332d404d52d
·Axel Kohlmeyer on Mar 8 2013, 20:49.
more changes to protect the pppm*/omp styles from segfaulting
04c6cca84b38
·Axel Kohlmeyer on Mar 8 2013, 20:02.
add support for per-atom virial
6f0a56be5c8b
·Axel Kohlmeyer on Mar 8 2013, 19:23.
define nlocal outside of OpenMP region
8861fa1340a0
·Axel Kohlmeyer on Mar 8 2013, 19:23.
handle the no local atom case in all pppm variants better
8b71c157de92
·Axel Kohlmeyer on Mar 8 2013, 19:18.
whitespace cleanup
ffaec63235f1
·Axel Kohlmeyer on Mar 8 2013, 17:30.
fix segfault in msm/omp. code is awfully slow now.
a512a88b1f16
·Axel Kohlmeyer on Mar 8 2013, 16:14.

Mar 7 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9613 f3b2605a-c512-4ea7…
4fd5028c199b
·sjplimp on Mar 7 2013, 21:47.
Merge remote branch 'lammps-ro/master' into lammps-icms
7f258bf917b0
·Axel Kohlmeyer on Mar 7 2013, 13:30.

Mar 6 2013

Optimizations to kspace_style MSM, including improving the single-core…
ed72c6c5ae87
·pscrozi on Mar 6 2013, 22:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9586 f3b2605a-c512-4ea7…
dfd6d4b943bd
·sjplimp on Mar 6 2013, 18:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9582 f3b2605a-c512-4ea7…
ead9fe70299a
·sjplimp on Mar 6 2013, 17:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9581 f3b2605a-c512-4ea7…
adb129fe991d
·sjplimp on Mar 6 2013, 17:44.

Mar 5 2013

add /omp version of lj/cut/tip4p/cut
4be41208c17c
·Axel Kohlmeyer on Mar 5 2013, 11:02.

Mar 1 2013

include lj/long/coul/long versions with respa support
73d3ce64072a
·Axel Kohlmeyer on Mar 1 2013, 23:24.

Feb 26 2013

fix stupid bug reported by rolf
60f67d9fe925
·Axel Kohlmeyer on Feb 26 2013, 16:16.

Feb 24 2013

remove redundant code
056f83db2d53
·Axel Kohlmeyer on Feb 24 2013, 14:56.

Feb 23 2013

complete the implementation of respa/omp. tested ok.
d2fef46fb3a0
·Axel Kohlmeyer on Feb 23 2013, 18:27.

Feb 20 2013

prepare to add support for respa/omp. compiles but non-functional
ba8c0bb5bc24
·Axel Kohlmeyer on Feb 20 2013, 22:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9542 f3b2605a-c512-4ea7…
4ff021e8f483
·sjplimp on Feb 20 2013, 16:21.
simplify flag handling in package omp, add new flag
f5dd8af3efbe
·Axel Kohlmeyer on Feb 20 2013, 12:54.

Feb 19 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
9c141ded2475
·Axel Kohlmeyer on Feb 19 2013, 13:17.

Feb 18 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9523 f3b2605a-c512-4ea7…
be4a5a8e54a8
·sjplimp on Feb 18 2013, 17:01.
remove failed attempt to implement a no-reduction multi-threaded style
f75099c6084f
·Axel Kohlmeyer on Feb 18 2013, 11:25.

Feb 15 2013

some tricks to make sure arrays are cleared properly and threaded neighbor list…
238345f0be18
·Axel Kohlmeyer on Feb 15 2013, 23:23.
bugfix
1e655c5b7f90
·Axel Kohlmeyer on Feb 15 2013, 22:58.
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps…
e51ec4aab672
·Axel Kohlmeyer on Feb 15 2013, 22:50.
add OpenMP pair style without newton's 3rd law.
a7d8b1b15b99
·Axel Kohlmeyer on Feb 15 2013, 22:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9512 f3b2605a-c512-4ea7…
00be9561e711
·sjplimp on Feb 15 2013, 18:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9511 f3b2605a-c512-4ea7…
f57f4ec774c5
·sjplimp on Feb 15 2013, 18:36.
Merge remote branch 'lammps-ro/master' into lammps-icms
1466a253d1d6
·Axel Kohlmeyer on Feb 15 2013, 13:43.
fix small bugs. fix rigid/small/omp now works for buckyballs
d08b26b38802
·Axel Kohlmeyer on Feb 15 2013, 11:01.
add /omp version of fix rigid/small. not fully functional.
47c4879d9fdc
·Axel Kohlmeyer on Feb 15 2013, 01:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9508 f3b2605a-c512-4ea7…
4a8e4d535248
·sjplimp on Feb 15 2013, 01:02.

Feb 14 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9497 f3b2605a-c512-4ea7…
ef1541ad5b50
·sjplimp on Feb 14 2013, 20:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9480 f3b2605a-c512-4ea7…
180c73261985
·sjplimp on Feb 14 2013, 16:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9479 f3b2605a-c512-4ea7…
8f94aa801084
·sjplimp on Feb 14 2013, 16:36.

Feb 13 2013

small optimization
321483a15abd
·Axel Kohlmeyer on Feb 13 2013, 11:09.
some cleanups and minor optimizations
fbbc7308618b
·Axel Kohlmeyer on Feb 13 2013, 08:45.

Feb 12 2013

little performance tweak
652c2c6135c8
·Axel Kohlmeyer on Feb 12 2013, 23:51.
add multi-threaded version of PPPM*OMP::make_rho()
bce9d8f14275
·Axel Kohlmeyer on Feb 12 2013, 23:17.
performance tuning and bugfix
8c7862cd79a5
·Axel Kohlmeyer on Feb 12 2013, 17:55.
give the compiler more chances to keep data in registers.
9056cf0410f3
·Axel Kohlmeyer on Feb 12 2013, 17:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9449 f3b2605a-c512-4ea7…
aae97983b888
·sjplimp on Feb 12 2013, 16:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9448 f3b2605a-c512-4ea7…
0fa04785e3ed
·sjplimp on Feb 12 2013, 16:19.
multi-threaded pppm/tip4p. only tested serially, so far
4ced572e0249
·Axel Kohlmeyer on Feb 12 2013, 14:07.
minor cleanups
2495f08cb248
·Axel Kohlmeyer on Feb 12 2013, 14:06.
fix typo in USER-OMP management scripts
2c1b7c827a35
·Axel Kohlmeyer on Feb 12 2013, 10:40.
bugfix for BSD sed
58ce4e594986
·Axel Kohlmeyer on Feb 12 2013, 08:05.

lammps/src/USER-OMPefficient_neuronet

Jul 8 2013

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lammps/src/USER-OMP
efficient_neuronet