Diffusion lammps (efficient_neuronet) History

USER-OMP
efficient_neuronet

Feb 12 2013

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.
Merge branch 'master' into lammps-icms
1d68769ded88
·Axel Kohlmeyer on Feb 9 2013, 13:21.
partial implementation of multi-threaded rigid integrator. tested.
2fcebd9548b4
·Axel Kohlmeyer on Feb 9 2013, 11:57.
add some more compiler hints
60c26a0d6cc6
·Axel Kohlmeyer on Feb 9 2013, 09:11.

Feb 8 2013

mass conversion of bonded interactions for better compiler optimization
0ffeedecf033
·Axel Kohlmeyer on Feb 8 2013, 23:42.
rename vec3_t and vec4_t to dbl3_t and dbl4_t
8c1b86f077da
·Axel Kohlmeyer on Feb 8 2013, 23:15.
convert many /omp pair styles for better compiler optimization
9494ea04b619
·Axel Kohlmeyer on Feb 8 2013, 23:01.
help the c++ compiler to optimize better trial run on lj/cut/omp
fe33ffda9898
·Axel Kohlmeyer on Feb 8 2013, 21:55.
add typedef and define for helping the compiler to do better optimization
0a6ec2b279f8
·Axel Kohlmeyer on Feb 8 2013, 21:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7…
01311d340adc
·sjplimp on Feb 8 2013, 18:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9407 f3b2605a-c512-4ea7…
8c101ebc7007
·sjplimp on Feb 8 2013, 18:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9406 f3b2605a-c512-4ea7…
960e79fe53ec
·sjplimp on Feb 8 2013, 17:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9404 f3b2605a-c512-4ea7…
6676724eeebc
·sjplimp on Feb 8 2013, 17:57.
let compilers to a better job at optimizating loops over x,y,z atom properties
c5651e89b5ce
·Axel Kohlmeyer on Feb 8 2013, 11:32.
/omp variant of nve integrator
e1f19d73d222
·Axel Kohlmeyer on Feb 8 2013, 10:05.
add missing wrapper class for fix nph/omp
af5399b87c0c
·Axel Kohlmeyer on Feb 8 2013, 08:16.

Feb 7 2013

add multi-threaded sphere integrators
fe27b7df287c
·Axel Kohlmeyer on Feb 7 2013, 22:38.
remove obsolete branch in velocity update code
6534e67e3651
·Axel Kohlmeyer on Feb 7 2013, 22:38.
added classes for aspherical nph/npt/nvt integration
9658e11cc343
·Axel Kohlmeyer on Feb 7 2013, 21:53.
start multithreaded integrators for aspherical objects
f1ca3540e112
·Axel Kohlmeyer on Feb 7 2013, 21:44.
multi-threaded version of fix nvt/sllod
e29e0c8ff1d7
·Axel Kohlmeyer on Feb 7 2013, 21:05.
add threaded version of the last method frequently looping over all atoms
e7dc86d2c7b4
·Axel Kohlmeyer on Feb 7 2013, 20:51.
enable parallel pressure support with bias
eb7336217181
·Axel Kohlmeyer on Feb 7 2013, 19:40.
add one more multithreaded integrator method
dc4996deee92
·Axel Kohlmeyer on Feb 7 2013, 17:23.
implement multi-threaded DomainOMP::pbc() method
63dc5150312e
·Axel Kohlmeyer on Feb 7 2013, 15:19.
multi-thread some frequently user functions in Domain
a594c8ac12af
·Axel Kohlmeyer on Feb 7 2013, 15:09.
expand OpenMP support in time integration
21adc8e8226e
·Axel Kohlmeyer on Feb 7 2013, 12:24.
fix typo
3fc2f7c4a9f2
·Axel Kohlmeyer on Feb 7 2013, 12:21.
one more stupid bug fixed
46a05e33628d
·Axel Kohlmeyer on Feb 7 2013, 11:31.
fix typos
d4af628c7304
·Axel Kohlmeyer on Feb 7 2013, 11:29.

Feb 6 2013

first stab at multi-threading fix nh based integrators
7a2c634216d0
·Axel Kohlmeyer on Feb 6 2013, 21:46.

Feb 5 2013

more uses of special math functions
b01907cd9549
·Axel Kohlmeyer on Feb 5 2013, 00:36.

Feb 4 2013

use special math functions
49690af8566d
·Axel Kohlmeyer on Feb 4 2013, 23:09.

Feb 3 2013

add OpenMP versions of recently added bonded styles
58d375dda361
·Axel Kohlmeyer on Feb 3 2013, 22:30.
make package management scripts more steve-friendly
225d792ce991
·Axel Kohlmeyer on Feb 3 2013, 19:07.

Feb 1 2013

make msm/omp compatible with broken OpenMP in gcc 4.2
d7962731c901
·Axel Kohlmeyer on Feb 1 2013, 13:49.
refactoring of dihedral_style table.
0b779e30baa6
·Axel Kohlmeyer on Feb 1 2013, 13:44.

Jan 29 2013

bugfix for hybrid pair styles.
e040273d4a4f
·Axel Kohlmeyer on Jan 29 2013, 12:07.

Jan 24 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9312 f3b2605a-c512-4ea7…
a4bc5aa73a55
·sjplimp on Jan 24 2013, 20:17.

Jan 21 2013

update /omp versions of brownian and lubricate pair styles for changes in…
5b1fe9d76389
·Axel Kohlmeyer on Jan 21 2013, 09:28.

Jan 17 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9280 f3b2605a-c512-4ea7…
56a3ae0ecad6
·sjplimp on Jan 17 2013, 16:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9279 f3b2605a-c512-4ea7…
b078dc5e0beb
·sjplimp on Jan 17 2013, 16:56.

Jan 16 2013

fix bug in energy accounting for hybrid pair styles
d39910bd4cf5
·Axel Kohlmeyer on Jan 16 2013, 13:34.

Jan 15 2013

fix another typo from cut-n-paste
5b513be37e3e
·Axel Kohlmeyer on Jan 15 2013, 19:03.
fix typo
8ddab3b7db97
·Axel Kohlmeyer on Jan 15 2013, 16:33.
flatten outer loop and use more specific template arguments
afaae2555570
·Axel Kohlmeyer on Jan 15 2013, 13:06.

Jan 14 2013

turn all evflag components into template parameters
be809bbd2116
·Axel Kohlmeyer on Jan 14 2013, 19:09.
we need to provide MSMOMP::compute() as well, to call reduce_thr().
26877613a9df
·Axel Kohlmeyer on Jan 14 2013, 18:51.
small serial optimizations
d81a3671db8b
·Axel Kohlmeyer on Jan 14 2013, 17:41.
added msm/omp style
bb65b1c96d12
·Axel Kohlmeyer on Jan 14 2013, 17:12.
add /omp versions of MSM compatible pair styles
f9d7ef4d38ca
·Axel Kohlmeyer on Jan 14 2013, 13:14.

Jan 9 2013

Merge branch 'master' into lammps-icms
427161ef56aa
·Axel Kohlmeyer on Jan 9 2013, 13:09.

Jan 2 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9193 f3b2605a-c512-4ea7…
c3ed94c40c1a
·sjplimp on Jan 2 2013, 18:30.

Oct 25 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9002 f3b2605a-c512-4ea7…
6dcb5fb23d35
·sjplimp on Oct 25 2012, 17:35.

Oct 22 2012

remove support for kspace proxy styles
dc90a512268c
·Axel Kohlmeyer on Oct 22 2012, 11:13.
adjust for name change in tip4p styles and removal of proxy styles
23d0292fe4be
·Axel Kohlmeyer on Oct 22 2012, 11:01.
Merge branch 'master' into lammps-icms
ce7ea4907908
·Axel Kohlmeyer on Oct 22 2012, 10:18.

Oct 19 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8975 f3b2605a-c512-4ea7…
f97c62c76ec6
·sjplimp on Oct 19 2012, 17:27.

Oct 12 2012

Merge branch 'master' into lammps-icms
9a0e9670fb05
·Axel Kohlmeyer on Oct 12 2012, 14:46.

Oct 3 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8893 f3b2605a-c512-4ea7…
56887bc96f2f
·sjplimp on Oct 3 2012, 17:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8892 f3b2605a-c512-4ea7…
192ba5588f91
·sjplimp on Oct 3 2012, 17:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8891 f3b2605a-c512-4ea7…
7eb3ccf732ee
·sjplimp on Oct 3 2012, 17:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8885 f3b2605a-c512-4ea7…
6486693ef3b6
·sjplimp on Oct 3 2012, 16:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8884 f3b2605a-c512-4ea7…
f5d2d8b1e8b7
·sjplimp on Oct 3 2012, 16:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8872 f3b2605a-c512-4ea7…
3af0a1fa598e
·sjplimp on Oct 3 2012, 00:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8871 f3b2605a-c512-4ea7…
f3bbe8b36944
·sjplimp on Oct 3 2012, 00:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8870 f3b2605a-c512-4ea7…
53b3866b3df4
·sjplimp on Oct 3 2012, 00:46.

Oct 2 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8869 f3b2605a-c512-4ea7…
1adc4fee9892
·sjplimp on Oct 2 2012, 22:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8868 f3b2605a-c512-4ea7…
06e67b08dfe6
·sjplimp on Oct 2 2012, 22:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8865 f3b2605a-c512-4ea7…
27809e8a2441
·sjplimp on Oct 2 2012, 22:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7…
9a9291036d88
·sjplimp on Oct 2 2012, 22:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8863 f3b2605a-c512-4ea7…
fb6436ab4ea7
·sjplimp on Oct 2 2012, 21:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8862 f3b2605a-c512-4ea7…
e0540b5c2b4e
·sjplimp on Oct 2 2012, 21:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8861 f3b2605a-c512-4ea7…
88af162c7c45
·sjplimp on Oct 2 2012, 21:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8860 f3b2605a-c512-4ea7…
ccda8dd203a4
·sjplimp on Oct 2 2012, 21:53.

Sep 20 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8807 f3b2605a-c512-4ea7…
e706cea89765
·sjplimp on Sep 20 2012, 18:03.

Sep 19 2012

incorporate change from upstream
a5d7cc647231
·Axel Kohlmeyer on Sep 19 2012, 23:34.

Sep 4 2012

add mutual support for verlet/split with OpenMP
c3629d841da6
·Axel Kohlmeyer on Sep 4 2012, 14:11.

Aug 27 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8714 f3b2605a-c512-4ea7…
d974674bc5f5
·sjplimp on Aug 27 2012, 16:59.

Aug 25 2012

make granular OpenMP pair styles compatible with upstream
b3575fda8ce0
·Axel Kohlmeyer on Aug 25 2012, 22:45.

Aug 18 2012

Merge branch 'master' into lammps-icms
788b01cd7186
·Axel Kohlmeyer on Aug 18 2012, 23:17.

Aug 17 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8678 f3b2605a-c512-4ea7…
d29dd35c4554
·sjplimp on Aug 17 2012, 15:16.

Jul 26 2012

Merge branch 'master' into lammps-icms
f73d1bffe299
·Axel Kohlmeyer on Jul 26 2012, 13:28.

Jul 25 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7…
47552d40335e
·sjplimp on Jul 25 2012, 17:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8496 f3b2605a-c512-4ea7…
5e52200ad3a8
·sjplimp on Jul 25 2012, 01:14.

Jul 6 2012

workaround for upcoming pppm changes.
c3774f876b1c
·Axel Kohlmeyer on Jul 6 2012, 13:53.

Jul 3 2012

include bugfix from tom coles.
8be34761c8cb
·Axel Kohlmeyer on Jul 3 2012, 17:48.

Jun 30 2012

Merge branch 'master' into lammps-icms
2a099bfedb48
·Axel Kohlmeyer on Jun 30 2012, 17:23.

Jun 29 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8434 f3b2605a-c512-4ea7…
945fc5a36a65
·sjplimp on Jun 29 2012, 20:01.

Jun 25 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8391 f3b2605a-c512-4ea7…
e8ff810ee770
·sjplimp on Jun 25 2012, 18:42.

lammps/src/USER-OMPefficient_neuronet

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lammps/src/USER-OMP
efficient_neuronet