[ViewVC] Log of: OpenMD/branches/development/src/parallel

Revision 1706 - Directory Listing - [select for diffs]
Modified Fri Apr 27 20:44:16 2012 UTC (13 years ago) by gezelter
Diff to previous 1688 , to selected 1567

fixed an initialization bug in Dump2XYZ

Revision 1688 - Directory Listing - [select for diffs]
Modified Wed Mar 14 17:56:01 2012 UTC (13 years, 2 months ago) by gezelter
Diff to previous 1668 , to selected 1567

Bug fixes for GB.  Now using strength parameter mixing ideas from Wu
et al. [J. Chem. Phys. 135, 155104 (2011)].  This helps get the
dissimilar particle mixing behavior to be the same whichever order the
two particles come in.  This does require that the force field file to
specify explicitly the values for epsilon in the cross (X), side-by-side (S), 
and end-to-end (E) configurations.

Revision 1668 - Directory Listing - [select for diffs]
Modified Fri Jan 6 19:03:05 2012 UTC (13 years, 4 months ago) by gezelter
Diff to previous 1665 , to selected 1567

Some fixes for CMake and single precision builds

Revision 1665 - Directory Listing - [select for diffs]
Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 6 months ago) by gezelter
Diff to previous 1647 , to selected 1567

updated copyright notices

Revision 1647 - Directory Listing - [select for diffs]
Modified Mon Sep 26 21:20:11 2011 UTC (13 years, 7 months ago) by gezelter
Diff to previous 1629 , to selected 1567

fixing the build system

Revision 1629 - Directory Listing - [select for diffs]
Modified Wed Sep 14 21:15:17 2011 UTC (13 years, 8 months ago) by gezelter
Diff to previous 1616 , to selected 1567

Merging changes from old branch into development branch

Revision 1616 - Directory Listing - [select for diffs]
Modified Tue Aug 30 15:45:35 2011 UTC (13 years, 8 months ago) by gezelter
Diff to previous 1613 , to selected 1567

Fixing cutoff groups

Revision 1613 - Directory Listing - [select for diffs]
Modified Thu Aug 18 20:18:19 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1612 , to selected 1567

Fixed a parallel bug in computing exclude lists.
Added file versioning information in MD files.
Still tracking down cutoff group bugs.

Revision 1612 - Directory Listing - [select for diffs]
Modified Fri Aug 12 19:59:56 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1601 , to selected 1567

fixed an offset bug causing problems in MPI

Revision 1601 - Directory Listing - [select for diffs]
Modified Thu Aug 4 20:04:35 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1593 , to selected 1567

removed spurious prints, fixed one bug, but there's still a parallel problem

Revision 1593 - Directory Listing - [select for diffs]
Modified Fri Jul 15 21:35:14 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1592 , to selected 1567

test

Revision 1592 - Directory Listing - [select for diffs]
Modified Tue Jul 12 20:33:14 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1591 , to selected 1567

test

Revision 1591 - Directory Listing - [select for diffs]
Modified Tue Jul 12 15:25:07 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1590 , to selected 1567

Efficiency fix

Revision 1590 - Directory Listing - [select for diffs]
Modified Mon Jul 11 01:39:49 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1589 , to selected 1567

more bug fixes

Revision 1589 - Directory Listing - [select for diffs]
Modified Sun Jul 10 16:05:34 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1588 , to selected 1567

Fixing some parallel bugs

Revision 1588 - Directory Listing - [select for diffs]
Modified Sat Jul 9 15:05:59 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1587 , to selected 1567

fixed one MPI bug, working on another

Revision 1587 - Directory Listing - [select for diffs]
Modified Fri Jul 8 20:25:32 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1586 , to selected 1567

Fixes

Revision 1586 - Directory Listing - [select for diffs]
Modified Tue Jun 21 06:34:35 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1584 , to selected 1567

bug fixes

Revision 1584 - Directory Listing - [select for diffs]
Modified Fri Jun 17 20:16:35 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1583 , to selected 1567

bug fixes.

Revision 1583 - Directory Listing - [select for diffs]
Modified Thu Jun 16 22:00:08 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1582 , to selected 1567

Bug squashing

Revision 1582 - Directory Listing - [select for diffs]
Modified Tue Jun 14 20:41:44 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1581 , to selected 1567

Well, the potential energy values are still garbage, but the LJ sample
runs.

Revision 1581 - Directory Listing - [select for diffs]
Modified Mon Jun 13 22:13:12 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1579 , to selected 1567

bug fixes

Revision 1579 - Directory Listing - [select for diffs]
Modified Thu Jun 9 20:26:29 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1577 , to selected 1567

bug fixes (not done yet)

Revision 1577 - Directory Listing - [select for diffs]
Modified Wed Jun 8 20:26:56 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1576 , to selected 1567

bug fixes

Revision 1576 - Directory Listing - [select for diffs]
Modified Wed Jun 8 16:05:07 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1575 , to selected 1567

migrating cutoff information from InteractionManager to ForceManager

Revision 1575 - Directory Listing - [select for diffs]
Modified Fri Jun 3 21:39:49 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1572 , to selected 1567

more parallel fixes

Revision 1572 - Directory Listing - [select for diffs]
Modified Sun May 29 01:49:17 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1571 , to selected 1567

Forgot some headers and other files

Revision 1571 - Directory Listing - [select for diffs]
Modified Fri May 27 16:45:44 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1570 , to selected 1567

Added Atypes to new C++ force decomposition.

Revision 1570 - Directory Listing - [select for diffs]
Modified Thu May 26 21:56:04 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1569 , to selected 1567

More fixes

Revision 1569 - Directory Listing - [select for diffs]
Modified Thu May 26 13:55:04 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1568 , to selected 1567

A few more fixes for the missing routines

Revision 1568 - Directory Listing - [select for diffs]
Modified Wed May 25 16:20:37 2011 UTC (14 years ago) by gezelter
Diff to previous 1567

Added neighbor list check, and migrated skinThickness into
ForceDecomposition (and out of the InteractionManager).  Removed a
spurious inline.

Revision 1567 - Directory Listing - [selected]
Modified Tue May 24 21:24:45 2011 UTC (14 years ago) by gezelter
Diff to previous 1562

Fixed some busted stuff in buildNeighborList

Revision 1562 - Directory Listing - [select for diffs]
Modified Thu May 12 17:00:14 2011 UTC (14 years ago) by gezelter
Diff to previous 1554 , to selected 1567

changes for cell linked lists

Revision 1554 - Directory Listing - [select for diffs]
Modified Sat Apr 30 02:54:02 2011 UTC (14 years ago) by gezelter
Diff to previous 1551 , to selected 1567

For efficiency, pointers instead of objects will be passed during main
force loop.

Revision 1551 - Directory Listing - [select for diffs]
Modified Thu Apr 28 18:38:21 2011 UTC (14 years ago) by gezelter
Diff to previous 1549 , to selected 1567

More changes for parallel

Revision 1549 - Directory Listing - [select for diffs]
Modified Wed Apr 27 18:38:15 2011 UTC (14 years ago) by gezelter
Diff to previous 1547 , to selected 1567

a few more tweaks   We're getting somewhat closer to deleting fortran.

Revision 1547 - Directory Listing - [select for diffs]
Modified Mon Apr 11 18:44:16 2011 UTC (14 years, 1 month ago) by gezelter
Diff to previous 1546 , to selected 1567

more minor changes to help build

Revision 1546 - Directory Listing - [select for diffs]
Modified Sun Apr 10 15:16:39 2011 UTC (14 years, 1 month ago) by gezelter
Diff to previous 1545 , to selected 1567

closer to a real force loop

Revision 1545 - Directory Listing - [select for diffs]
Modified Fri Apr 8 21:25:19 2011 UTC (14 years, 1 month ago) by gezelter
Diff to previous 1544 , to selected 1567

still busted, but much progress

Revision 1544 - Directory Listing - [select for diffs]
Modified Fri Mar 18 19:31:52 2011 UTC (14 years, 2 months ago) by gezelter
Diff to previous 1541 , to selected 1567

More modifications for paralllel rewrite

Revision 1541 - Directory Listing - [select for diffs]
Modified Fri Feb 4 20:04:56 2011 UTC (14 years, 3 months ago) by gezelter
Diff to previous 1540 , to selected 1567

working on communicators

Revision 1540 - Directory Listing - [select for diffs]
Modified Mon Jan 17 21:34:36 2011 UTC (14 years, 4 months ago) by gezelter
Diff to previous 1539 , to selected 1567

changes for new parallel architecture

Revision 1539 - Directory Listing - [select for diffs]
Modified Fri Jan 14 22:31:31 2011 UTC (14 years, 4 months ago) by gezelter
Diff to previous 1538 , to selected 1567

Starting a Parallel architecture

Revision 1538 - Directory Listing - [select for diffs]
Added Tue Jan 11 18:58:12 2011 UTC (14 years, 4 months ago) by chuckv
Diff to selected 1567

Adding parallel classes...

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