First OpenMP version.

Revision 1599 - (view) (annotate) - [select for diffs]
Modified Fri Jul 29 19:03:36 2011 UTC (13 years, 9 months ago) by mciznick
File length: 46360 byte(s)
Diff to previous 1598

Updated: Build neighbor list method with frequency counter. Additional parameter to md file.

Updated ordered neighbor list generation.

Revision 1595 - (view) (annotate) - [select for diffs]
Modified Tue Jul 19 18:50:04 2011 UTC (13 years, 9 months ago) by chuckv
File length: 46598 byte(s)
Diff to previous 1594

Adding initial OpenMP support using new neighbor lists.

Branching from main development branch to OpenMP dev version at dev branch 1593

Revision 1593 - (view) (annotate) - [select for diffs]
Modified Fri Jul 15 21:35:14 2011 UTC (13 years, 9 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 42696 byte(s)
Diff to previous 1592

test

test

Revision 1591 - (view) (annotate) - [select for diffs]
Modified Tue Jul 12 15:25:07 2011 UTC (13 years, 9 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 39900 byte(s)
Diff to previous 1590

Efficiency fix

more bug fixes

Revision 1589 - (view) (annotate) - [select for diffs]
Modified Sun Jul 10 16:05:34 2011 UTC (13 years, 9 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 39143 byte(s)
Diff to previous 1588

Fixing some parallel bugs

fixed one MPI bug, working on another

Revision 1587 - (view) (annotate) - [select for diffs]
Modified Fri Jul 8 20:25:32 2011 UTC (13 years, 9 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 38778 byte(s)
Diff to previous 1586

Fixes

bug fixes

Revision 1584 - (view) (annotate) - [select for diffs]
Modified Fri Jun 17 20:16:35 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 37236 byte(s)
Diff to previous 1583

bug fixes.

Bug squashing

Revision 1582 - (view) (annotate) - [select for diffs]
Modified Tue Jun 14 20:41:44 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 36547 byte(s)
Diff to previous 1581

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

bug fixes

Revision 1579 - (view) (annotate) - [select for diffs]
Modified Thu Jun 9 20:26:29 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 36437 byte(s)
Diff to previous 1577

bug fixes (not done yet)

bug fixes

Revision 1576 - (view) (annotate) - [select for diffs]
Modified Wed Jun 8 16:05:07 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 36860 byte(s)
Diff to previous 1575

migrating cutoff information from InteractionManager to ForceManager

more parallel fixes

Revision 1571 - (view) (annotate) - [select for diffs]
Modified Fri May 27 16:45:44 2011 UTC (13 years, 11 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 27805 byte(s)
Diff to previous 1570

Added Atypes to new C++ force decomposition.

More fixes

Revision 1569 - (view) (annotate) - [select for diffs]
Modified Thu May 26 13:55:04 2011 UTC (13 years, 11 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 22544 byte(s)
Diff to previous 1568

A few more fixes for the missing routines

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

Revision 1567 - (view) (annotate) - [select for diffs]
Modified Tue May 24 21:24:45 2011 UTC (13 years, 11 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 21025 byte(s)
Diff to previous 1562

Fixed some busted stuff in buildNeighborList

changes for cell linked lists

Revision 1554 - (view) (annotate) - [select for diffs]
Modified Sat Apr 30 02:54:02 2011 UTC (14 years ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 12359 byte(s)
Diff to previous 1551

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

More changes for parallel

Revision 1549 - (view) (annotate) - [select for diffs]
Modified Wed Apr 27 18:38:15 2011 UTC (14 years ago) by gezelter
Original Path: branches/development/src/parallel/ForceMatrixDecomposition.cpp
File length: 9011 byte(s)
Copied from: branches/development/src/parallel/ForceDecomposition.cpp revision 1547
Diff to previous 1547

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

more minor changes to help build

Revision 1544 - (view) (annotate) - [select for diffs]
Modified Fri Mar 18 19:31:52 2011 UTC (14 years, 1 month ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 8741 byte(s)
Diff to previous 1541

More modifications for paralllel rewrite

working on communicators

Revision 1540 - (view) (annotate) - [select for diffs]
Modified Mon Jan 17 21:34:36 2011 UTC (14 years, 3 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 6673 byte(s)
Diff to previous 1539

changes for new parallel architecture

Starting a Parallel architecture

Revision 1538 - (view) (annotate) - [select for diffs]
Added Tue Jan 11 18:58:12 2011 UTC (14 years, 3 months ago) by chuckv
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 4037 byte(s)

Adding parallel classes...