Diffusion lammps (efficient_neuronet) History

USER-OMP
efficient_neuronet6553258ee99382e3aa7cac3…

Jun 30 2013

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.
re-implementation of pppm/cg/omp using the new pppm/cg
5c6301f49d25
·Axel Kohlmeyer on Feb 12 2013, 01:44.
bugfixes. tested ok for ik and ad differentiation
7d3df4eefece
·Axel Kohlmeyer on Feb 12 2013, 01:23.
re-implementation of /omp support for PPPM
e9413f8ec597
·Axel Kohlmeyer on Feb 12 2013, 01:01.

Feb 11 2013

incorporate upcoming changes to tip4p styles from upstream
d2459bc1c552
·Axel Kohlmeyer on Feb 11 2013, 18:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9443 f3b2605a-c512-4ea7…
a8cb638e765b
·sjplimp on Feb 11 2013, 16:35.

Feb 10 2013

one more integrator with /omp support.
62434a8a89cb
·Axel Kohlmeyer on Feb 10 2013, 23:18.
implement the remaining rigid integrators with OpenMP support
144c888f6b72
·Axel Kohlmeyer on Feb 10 2013, 23:03.
some simplification. comments regarding replicated code added
9236393b18e9
·Axel Kohlmeyer on Feb 10 2013, 23:01.
better alignment
718aa55ae3c4
·Axel Kohlmeyer on Feb 10 2013, 23:00.
next try at having thread safe temperature bias removal/restoration
005af0243ceb
·Axel Kohlmeyer on Feb 10 2013, 14:06.

Feb 9 2013

more complete implementation of fix rigid/omp. tested for molecule type
e321dc9f5812
·Axel Kohlmeyer on Feb 9 2013, 20:19.

lammps/src/USER-OMPefficient_neuronet6553258ee99382e3aa7cac3…

Jun 30 2013

Jun 29 2013

Jun 28 2013

Jun 27 2013

Jun 23 2013

Jun 19 2013

Jun 9 2013

Jun 8 2013

Jun 7 2013

Jun 6 2013

Jun 1 2013

May 31 2013

May 30 2013

May 29 2013

May 28 2013

May 10 2013

May 8 2013

Apr 1 2013

Mar 26 2013

Mar 21 2013

Mar 19 2013

Mar 16 2013

Mar 14 2013

Mar 11 2013

Mar 8 2013

Mar 7 2013

Mar 6 2013

Mar 5 2013

Mar 1 2013

Feb 26 2013

Feb 24 2013

Feb 23 2013

Feb 20 2013

Feb 19 2013

Feb 18 2013

Feb 15 2013

Feb 14 2013

Feb 13 2013

Feb 12 2013

Feb 11 2013

Feb 10 2013

Feb 9 2013

lammps/src/USER-OMP
efficient_neuronet6553258ee99382e3aa7cac3…