Commits · c56b4801412769dc6f32774231aafeb46f1ef09e · tsoc / openmm

29 Apr, 2011 1 commit
- Reduced number of force buffers to one per work group. Increased work group... · 80eb063d
  Peter Eastman authored Apr 29, 2011
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Reduced number of force buffers to one per work group.  Increased work group size for nonbonded interactions.
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  80eb063d
26 Apr, 2011 1 commit
- Added dynamic load balancing between GPUs · dd352ee5
  Peter Eastman authored Apr 26, 2011
  
  dd352ee5
22 Apr, 2011 1 commit
- Continuing to implement multi-GPU support · 5a89d510
  Peter Eastman authored Apr 22, 2011
  
  5a89d510
05 Mar, 2011 1 commit
- Fixed bugs in CMAPTorsionForce · a84a2997
  Peter Eastman authored Mar 05, 2011
  
  a84a2997
03 Mar, 2011 1 commit
- Fixed round-off error that occasionally caused errors in the neighbor list · 0de92fdc
  Peter Eastman authored Mar 03, 2011
  
  0de92fdc
01 Feb, 2011 1 commit
- Bug fix on AMD GPUs. · 3ec0d906
  Peter Eastman authored Feb 01, 2011
  
  3ec0d906
31 Jan, 2011 1 commit
- Fix for GbsaObc Born force w/ cutoffs · 9294047f
  Mark Friedrichs authored Jan 31, 2011
  
  9294047f
04 Dec, 2010 1 commit
- Eliminated local memory bank conflicts · db8a55b3
  Peter Eastman authored Dec 04, 2010
  
  db8a55b3
17 Nov, 2010 1 commit
- Created CustomGBForce kernels optimized for CPU. Fixed bugs in CPU GBSA kernels. · 562cfb39
  Peter Eastman authored Nov 17, 2010
  
  562cfb39
30 Oct, 2010 1 commit
- Created GBSA kernels optimized for CPU · 38a60fbf
  Peter Eastman authored Oct 30, 2010
  
  38a60fbf
28 Oct, 2010 1 commit
- Fixes and optimizations to PME on CPU · 0b96aa2e
  Peter Eastman authored Oct 28, 2010
  
  0b96aa2e
26 Oct, 2010 1 commit
- Bug fix · e28ce558
  Peter Eastman authored Oct 26, 2010
  
  e28ce558
21 Oct, 2010 1 commit
- Continuing to optimize nonbonded kernels for CPU · 077a93c8
  Peter Eastman authored Oct 21, 2010
  
  077a93c8
20 Oct, 2010 1 commit
- Began creating kernels optimized for CPU · e7b18ca4
  Peter Eastman authored Oct 20, 2010
  
  e7b18ca4
03 Sep, 2010 1 commit
- Simplified PME code, eliminating an unnecessary kernel. · acb46362
  Peter Eastman authored Sep 03, 2010
  
  acb46362
02 Sep, 2010 1 commit
- Fixed a bug that caused a crash on Fermi. · 42cbcb89
  Peter Eastman authored Sep 02, 2010
  
  42cbcb89
31 Aug, 2010 1 commit
- Use double precision when available to increase integration accuracy · 7c1846a8
  Peter Eastman authored Aug 31, 2010
  
  7c1846a8
28 Aug, 2010 1 commit
- AndersenThermostat works correctly with constraints (see bug 1319) · d9941f47
  Peter Eastman authored Aug 28, 2010
  
  d9941f47
25 Aug, 2010 1 commit
- Allow the neighbor list arrays to grow if the initial sizes are too small · a5e4de14
  Peter Eastman authored Aug 25, 2010
  
  a5e4de14
23 Aug, 2010 1 commit
- Finished changes to reduce memory use for large systems · 839f9a81
  Peter Eastman authored Aug 23, 2010
  
  839f9a81
20 Aug, 2010 1 commit
- Continuing changes to reduce memory use for large systems · a8fe9cea
  Peter Eastman authored Aug 20, 2010
  
  a8fe9cea
19 Aug, 2010 1 commit
- Continuing changes to reduce memory use for large systems · 22078b69
  Peter Eastman authored Aug 19, 2010
  
  22078b69
18 Aug, 2010 1 commit
- Beginning of changes to reduce memory use for large systems · 9a4e2b02
  Peter Eastman authored Aug 18, 2010
  
  9a4e2b02
23 Jul, 2010 1 commit
- Optimization for ATI: replaced if's with predication · 98b09e6f
  Peter Eastman authored Jul 23, 2010
  
  98b09e6f
21 Jul, 2010 2 commits
- Replaced a few more divisions by RECIP() · b8c624fa
  Peter Eastman authored Jul 21, 2010
  
  b8c624fa
- Minor optimization: replaced a few divisions by RECIP() calls · 43d61cd1
  Peter Eastman authored Jul 21, 2010
  
  43d61cd1
20 Jul, 2010 1 commit
- Use native_exp and native_log when they are sufficiently accurate · c87cee06
  Peter Eastman authored Jul 20, 2010
  
  c87cee06
19 Jul, 2010 1 commit
- Created OpenCL implementation of CMAPTorsionForce · 258fd0f1
  Peter Eastman authored Jul 19, 2010
  
  258fd0f1
08 Jul, 2010 1 commit
- Fixed bug that caused some interactions to be incorrectly excluded from Born sum · 1b56ffd8
  Peter Eastman authored Jul 08, 2010
  
  1b56ffd8
07 Jul, 2010 2 commits
- Fixed bug in identifying exclusions · e3142025
  Peter Eastman authored Jul 07, 2010
  
  e3142025
- Fixed bug in identifying exclusions · b41d77a9
  Peter Eastman authored Jul 07, 2010
  
  b41d77a9
10 Jun, 2010 1 commit
- Major optimizations to PME performance · 98c30a3f
  Peter Eastman authored Jun 10, 2010
  
  98c30a3f
09 Jun, 2010 2 commits
- Fixed bug in PME when atoms were far outside the periodic box (see bug 1144) · b880b5d9
  Peter Eastman authored Jun 09, 2010
  
  b880b5d9
- Fixed bugs in CustomGBForce · ba2503b5
  Peter Eastman authored Jun 09, 2010
  
  ba2503b5
07 Jun, 2010 2 commits
- Fixed bug introduced by previous checkin · c799ea08
  Peter Eastman authored Jun 07, 2010
  
  c799ea08
- Minor optimizations to OpenCL · bd7cce70
  Peter Eastman authored Jun 07, 2010
  
  bd7cce70
02 Jun, 2010 1 commit
- Fixed bugs related to exclusions in CustomGBForce · 1ace7814
  Peter Eastman authored Jun 02, 2010
  
  1ace7814
01 Jun, 2010 1 commit
- Allow multiple buffers to be cleared by a single kernel, improving performance on small systems. · ef8a3447
  Peter Eastman authored Jun 01, 2010
  
  ef8a3447
15 May, 2010 1 commit
- Created CUDA implementation of MonteCarloBarostat · 607f2b6a
  Peter Eastman authored May 15, 2010
  
  607f2b6a
14 May, 2010 1 commit
- Fixed problems in MonteCarloBarostat and created OpenCL implementation · 70ca43ad
  Peter Eastman authored May 14, 2010
  
  70ca43ad