Diffusion lammps (runner) History

USER-OMP
runner

Aug 31 2015

Fixing compile error in USER-OMP
14554c93af5a
·stamoor on Aug 31 2015, 17:20.

Aug 30 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13971 f3b2605a-c512-4ea7…
4bd3fe89c88d
·sjplimp on Aug 30 2015, 00:03.

Aug 29 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13951 f3b2605a-c512-4ea7…
4e247c3b8cc1
·sjplimp on Aug 29 2015, 01:36.

Aug 28 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7…
ce59e32d1cf6
·sjplimp on Aug 28 2015, 22:00.

Aug 26 2015

make USER-TALLY package compatible with USER-OMP. add another safeguard against…
eb97abc636d5
·Axel Kohlmeyer on Aug 26 2015, 21:34.
fix nasty USER-OMP bug for systems with few atoms
59ce36fa360d
·Axel Kohlmeyer on Aug 26 2015, 06:52.
remove unused flag from package omp command
ace1f1eb75b7
·Axel Kohlmeyer on Aug 26 2015, 06:25.
remove broken and unused pppm/tip4p/cg kspace style
5049cb79a295
·Axel Kohlmeyer on Aug 26 2015, 06:25.

Aug 18 2015

remove dead code spotted by coverity scan. CID 134537
0edf3cbd318f
·Axel Kohlmeyer on Aug 18 2015, 01:44.

Jul 17 2015

correct respa/omp style for hybrid respa
c1f734b5740a
·Axel Kohlmeyer on Jul 17 2015, 22:26.

May 15 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13464 f3b2605a-c512-4ea7…
c3fd41010d41
·sjplimp on May 15 2015, 18:33.

May 14 2015

fix known inconsistencies with exclusions for coul/dsf styles
f084911239b0
·Axel Kohlmeyer on May 14 2015, 23:48.

Apr 7 2015

bugfix. forgot opening brace on if statement.
8b35e3a57a45
·Axel Kohlmeyer on Apr 7 2015, 21:13.
avoid segfault when omp package enabled but inactive
b1f947e54899
·Axel Kohlmeyer on Apr 7 2015, 11:14.

Mar 27 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13320 f3b2605a-c512-4ea7…
9435c9dcb15a
·sjplimp on Mar 27 2015, 21:39.

Mar 11 2015

need to fix up USER-CUDA related dependency handling for both install and…
22ba332a6036
·Axel Kohlmeyer on Mar 11 2015, 13:34.

Feb 9 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
d3a1cb667562
·Axel Kohlmeyer on Feb 9 2015, 18:05.

Feb 6 2015

Fixing compile problem
743148df5038
·stamoor on Feb 6 2015, 18:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13072 f3b2605a-c512-4ea7…
79cfbf031ac8
·sjplimp on Feb 6 2015, 17:33.

Feb 2 2015

bugfix for rigid styles in USER-OMP.
708eba5a1af8
·Axel Kohlmeyer on Feb 2 2015, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13017 f3b2605a-c512-4ea7…
5b10a7236b01
·sjplimp on Feb 2 2015, 17:41.

Jan 21 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12979 f3b2605a-c512-4ea7…
e59417b0f71b
·sjplimp on Jan 21 2015, 00:25.

Jan 20 2015

need to delete some dependencies when uninstalling USER-CUDA and USER-OMP
d931df54fe33
·Axel Kohlmeyer on Jan 20 2015, 20:56.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8d532d93e929
·Axel Kohlmeyer on Jan 20 2015, 13:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7…
4a975dd8cf07
·sjplimp on Jan 20 2015, 00:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12956 f3b2605a-c512-4ea7…
72ac6ea85400
·sjplimp on Jan 20 2015, 00:43.

Jan 19 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12951 f3b2605a-c512-4ea7…
4957e4a147d6
·sjplimp on Jan 19 2015, 23:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7…
1eb5be159143
·sjplimp on Jan 19 2015, 23:14.

Jan 12 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
fc6be0ef348a
·Axel Kohlmeyer on Jan 12 2015, 16:02.

Jan 9 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12921 f3b2605a-c512-4ea7…
e6a53b3f3b6f
·sjplimp on Jan 9 2015, 17:57.

Jan 6 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
5838c3c5428e
·Axel Kohlmeyer on Jan 6 2015, 15:26.

Jan 5 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12874 f3b2605a-c512-4ea7…
ddeb3f59c139
·sjplimp on Jan 5 2015, 23:45.

Nov 19 2014

work around confused OpenMP compilers
2d2210133fb8
·Axel Kohlmeyer on Nov 19 2014, 17:12.

Nov 18 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
416f6c25e56d
·Axel Kohlmeyer on Nov 18 2014, 16:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7…
21ac09ad9c9c
·sjplimp on Nov 18 2014, 01:17.

Oct 21 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7…
7518fae9bcff
·sjplimp on Oct 21 2014, 19:09.

Oct 20 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7…
f350cc4ec77b
·sjplimp on Oct 20 2014, 23:17.

Oct 17 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
9613feca98e9
·Axel Kohlmeyer on Oct 17 2014, 00:12.

Oct 14 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12635 f3b2605a-c512-4ea7…
4a31f062c434
·sjplimp on Oct 14 2014, 16:28.
temporarily disable known to be broken pair style
9d25e7e8ecba
·Axel Kohlmeyer on Oct 14 2014, 15:16.

Oct 9 2014

add support for dynamic charges which require updating qsum and qsqsum
b460be7fbbf0
·Axel Kohlmeyer on Oct 9 2014, 23:59.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
a05fa107d8ff
·Axel Kohlmeyer on Oct 9 2014, 19:03.

Oct 8 2014

Added rhomax assignment
dd4f79e2b8db
·athomps on Oct 8 2014, 23:16.

Sep 10 2014

Merge remote branch 'lammps-ro/master' into lammps-icms
d52414244a9c
·Axel Kohlmeyer on Sep 10 2014, 14:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12459 f3b2605a-c512-4ea7…
f9684d5076fc
·sjplimp on Sep 10 2014, 00:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12458 f3b2605a-c512-4ea7…
4374200a779e
·sjplimp on Sep 10 2014, 00:30.

Sep 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12455 f3b2605a-c512-4ea7…
b843c808a503
·sjplimp on Sep 9 2014, 21:23.

Sep 5 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12406 f3b2605a-c512-4ea7…
777e82995de2
·sjplimp on Sep 5 2014, 16:42.

Aug 26 2014

make use of restricted pointer consistent across OPT package.
c0b4b4648595
·Axel Kohlmeyer on Aug 26 2014, 21:22.

Aug 25 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7…
4ea728dc8007
·sjplimp on Aug 25 2014, 18:01.

Aug 24 2014

remove obsolete preprocessor define
4ea7121035de
·Axel Kohlmeyer on Aug 24 2014, 20:44.

Aug 23 2014

remove definitions obsoleted by changes to lmptype.h
ca6b61d07f79
·Axel Kohlmeyer on Aug 23 2014, 23:11.
fix up compilation with alignment and restrict keyword
918ace3e2877
·Axel Kohlmeyer on Aug 23 2014, 22:40.

Aug 19 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
39a94bfbdca2
·Axel Kohlmeyer on Aug 19 2014, 15:48.

Aug 14 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7…
0f6eb0877ebc
·sjplimp on Aug 14 2014, 18:30.

Aug 10 2014

delete unused variables and reduce compiler warnings
1093ff46f185
·Axel Kohlmeyer on Aug 10 2014, 02:23.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
4c79bce7f1cb
·Axel Kohlmeyer on Aug 10 2014, 02:10.

Aug 8 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7…
c1e12f950867
·sjplimp on Aug 8 2014, 19:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12284 f3b2605a-c512-4ea7…
9026afed5cf9
·sjplimp on Aug 8 2014, 16:25.

Aug 5 2014

add test for invalid box dimension to demystify PPPM out of range errors
a67fb36bab47
·Axel Kohlmeyer on Aug 5 2014, 18:10.

Jul 30 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7…
fe1ade5fad2b
·sjplimp on Jul 30 2014, 16:59.

Jul 1 2014

transfer changes from upstream to USER-OMP version
a44e538ac67f
·Axel Kohlmeyer on Jul 1 2014, 18:50.

Jun 15 2014

Merge branch 'patch_14_06_2014' into lammps-icms
bcec3c56e45e
·Axel Kohlmeyer on Jun 15 2014, 13:25.
anticipate 14 June 2014 patch
598be75009d2
·Axel Kohlmeyer on Jun 15 2014, 13:19.

Jun 14 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12127 f3b2605a-c512-4ea7…
3f98c4d07662
·sjplimp on Jun 14 2014, 00:03.

May 22 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12010 f3b2605a-c512-4ea7…
e8ec5114a9e5
·sjplimp on May 22 2014, 15:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12009 f3b2605a-c512-4ea7…
ffd2b394712e
·sjplimp on May 22 2014, 15:58.
properly implement optimized version of lj/charmm/coul/long/soft
e60487065649
·Axel Kohlmeyer on May 22 2014, 00:44.

May 21 2014

energy calculation was wrong in the last commit. fixed it.
c1e8a7b16d04
·Axel Kohlmeyer on May 21 2014, 23:37.
bugfix and cleanup for lj/charmm/coul/long/omp
3afe9d6aedfa
·Axel Kohlmeyer on May 21 2014, 23:24.
import new files for USER-FEP and /omp version.
e222e8b16c1b
·Axel Kohlmeyer on May 21 2014, 17:00.

May 19 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12003 f3b2605a-c512-4ea7…
23892d4fc5bf
·sjplimp on May 19 2014, 18:29.

May 14 2014

fix compile errors/warnings introduced by may 13 patch
1d825a887cb6
·Axel Kohlmeyer on May 14 2014, 13:56.

May 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11953 f3b2605a-c512-4ea7…
a93cebcc2d06
·sjplimp on May 9 2014, 17:33.

May 8 2014

big dead code cleanup of comb3 pair style
55365522a988
·Axel Kohlmeyer on May 8 2014, 21:08.

May 2 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7…
8bee4ef5966a
·sjplimp on May 2 2014, 23:49.

Apr 30 2014

fix problems flagged by compiler warnings
0e4643fc5925
·Axel Kohlmeyer on Apr 30 2014, 22:21.
next batch of code cleanup based on compiler warnings
0fbda306f930
·Axel Kohlmeyer on Apr 30 2014, 14:08.

Apr 29 2014

another round of removing unused variables
e6c72491430d
·Axel Kohlmeyer on Apr 29 2014, 19:01.

Apr 21 2014

add multi-threaded versions of the USER-FEP package
ee041356397a
·Axel Kohlmeyer on Apr 21 2014, 23:17.
get rid of compiler warnings when compiling w/o OpenMP
e0256a6447d2
·Axel Kohlmeyer on Apr 21 2014, 21:13.

Apr 19 2014

eliminate dead code in newly added features
ac5b911e5e4f
·Axel Kohlmeyer on Apr 19 2014, 13:15.

Apr 18 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7…
f461504c9398
·sjplimp on Apr 18 2014, 17:25.
some more dead code removal. number of warnings getting small now
ee04f975b3da
·Axel Kohlmeyer on Apr 18 2014, 14:35.

Apr 16 2014

next batch of unused variable removal
9374001aadd4
·Axel Kohlmeyer on Apr 16 2014, 22:36.
some more cleanups based on warnings from newer gcc
492e027896e6
·Axel Kohlmeyer on Apr 16 2014, 21:53.

Apr 15 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7…
1fac1d41fa78
·sjplimp on Apr 15 2014, 17:24.

Apr 13 2014

handle parenthesis to signal assigment warning for manybody potentials
4b2476a4fd7f
·Axel Kohlmeyer on Apr 13 2014, 20:29.
another set of dead code removal
5f4db57b19c4
·Axel Kohlmeyer on Apr 13 2014, 04:03.

Apr 12 2014

spelling fix
d7bbb795fff0
·Axel Kohlmeyer on Apr 12 2014, 18:44.
remove even more unused variables and have consistent initialization
323e3075c413
·Axel Kohlmeyer on Apr 12 2014, 18:39.

Apr 11 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7…
09168613150e
·sjplimp on Apr 11 2014, 16:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11775 f3b2605a-c512-4ea7…
1b6af8196fc1
·sjplimp on Apr 11 2014, 16:41.
implement changes that follow the equivalent files in upstream
4d46b70ccea8
·Axel Kohlmeyer on Apr 11 2014, 13:01.

Apr 10 2014

silence some more compiler warnings
c5af763730fb
·Axel Kohlmeyer on Apr 10 2014, 19:42.
various little cleanups to silence compiler warnings
5fcfc9f575fc
·Axel Kohlmeyer on Apr 10 2014, 18:21.
Merge remote branch 'lammps-ro/master' into lammps-icms
5bb50f88412a
·Axel Kohlmeyer on Apr 10 2014, 13:24.

Apr 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11746 f3b2605a-c512-4ea7…
5e0b58212ea2
·sjplimp on Apr 9 2014, 16:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11745 f3b2605a-c512-4ea7…
cd3dbc40fd24
·sjplimp on Apr 9 2014, 16:28.
more explicit error message to state incompatibility of COMB3 with USER-OMP
8bf5d7181746
·Axel Kohlmeyer on Apr 9 2014, 13:52.

lammps/src/USER-OMPrunner

Aug 31 2015

Aug 30 2015

Aug 29 2015

Aug 28 2015

Aug 26 2015

Aug 18 2015

Jul 17 2015

May 15 2015

May 14 2015

Apr 7 2015

Mar 27 2015

Mar 11 2015

Feb 9 2015

Feb 6 2015

Feb 2 2015

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Jan 20 2015

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Jan 12 2015

Jan 9 2015

Jan 6 2015

Jan 5 2015

Nov 19 2014

Nov 18 2014

Oct 21 2014

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Oct 17 2014

Oct 14 2014

Oct 9 2014

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Sep 10 2014

Sep 9 2014

Sep 5 2014

Aug 26 2014

Aug 25 2014

Aug 24 2014

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Aug 19 2014

Aug 14 2014

Aug 10 2014

Aug 8 2014

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Jul 30 2014

Jul 1 2014

Jun 15 2014

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May 22 2014

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May 14 2014

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May 2 2014

Apr 30 2014

Apr 29 2014

Apr 21 2014

Apr 19 2014

Apr 18 2014

Apr 16 2014

Apr 15 2014

Apr 13 2014

Apr 12 2014

Apr 11 2014

Apr 10 2014

Apr 9 2014

lammps/src/USER-OMP
runner