Commits · 3e7616fc783f75e207a3bf5c31659334ad958075 · tsoc / openmm

22 Mar, 2013 1 commit
- Merged 5.1Optimizations branch back to trunk · 93c467b2
  Peter Eastman authored Mar 22, 2013
  
  93c467b2
14 Dec, 2012 1 commit

When converting to fixed point, multiply by 0x100000000 instead of 0xFFFFFFFF.... · 18355094

Peter Eastman authored Dec 14, 2012

When converting to fixed point, multiply by 0x100000000 instead of 0xFFFFFFFF.  This should be (very very slightly) more accurate, since its reciprocal can be exactly represented in floating point.

18355094

05 Oct, 2012 1 commit
- Eliminated mixed precision accumulation for nonbonded forces, which had negligible benefit · b0161939
  Peter Eastman authored Oct 05, 2012
  
  b0161939
28 Sep, 2012 1 commit
- Renamed cuda2 platform to cuda · 58b094ce
  Peter Eastman authored Sep 28, 2012
  
  58b094ce
10 Jul, 2012 1 commit
- Implemented mixed precision mode · 18fb6efc
  Peter Eastman authored Jul 10, 2012
  
  18fb6efc
06 Jul, 2012 1 commit
- Optimizations to new CUDA platform · 2bb875b0
  Peter Eastman authored Jul 06, 2012
  
  2bb875b0
15 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: NonbondedForce · 86aacbd8
  Peter Eastman authored Jun 15, 2012
  
  86aacbd8
27 Jan, 2012 1 commit
- Tony's optimizations to reduce local memory use · fed50628
  Peter Eastman authored Jan 27, 2012
  
  fed50628
10 Nov, 2011 1 commit
- Fixed lots of warnings and errors on Lion · 03a5288d
  Peter Eastman authored Nov 10, 2011
  
  03a5288d
25 Oct, 2011 1 commit
- More changes from Tony to reduce local memory use · ce74c6ae
  Peter Eastman authored Oct 25, 2011
  
  ce74c6ae
11 Oct, 2011 1 commit
- Tony Tye's optimization to reduce local memory use · 4405b165
  Peter Eastman authored Oct 11, 2011
  
  4405b165
07 Oct, 2011 1 commit
- Added "const" and "restrict" to lots of kernel arguments to let the compiler do more optimizations · 69e75377
  Peter Eastman authored Oct 07, 2011
  
  69e75377
09 Sep, 2011 2 commits
- Minor optimizations to GBSA · 91f3379b
  Peter Eastman authored Sep 09, 2011
  
  91f3379b
- Minor performance optimizations · d2a5b3bb
  Peter Eastman authored Sep 09, 2011
  
  d2a5b3bb
02 Sep, 2011 1 commit
- On Fermi, store forces as 64 bit fixed point and update with atomic... · d9029f61
  Peter Eastman authored Sep 02, 2011
```
On Fermi, store forces as 64 bit fixed point and update with atomic operations.  Also various other minor optimizations.
```
  d9029f61
09 May, 2011 1 commit
- Restructured the use of force buffers in a new way that hopefully really works everywhere. · 7943a339
  Peter Eastman authored May 09, 2011
  
  7943a339
04 May, 2011 1 commit
- Very minor optimizations · a7b68da3
  Peter Eastman authored May 04, 2011
  
  a7b68da3
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
```
Reduced number of force buffers to one per work group.  Increased work group size for nonbonded interactions.
```
  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
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
04 Dec, 2010 1 commit
- Eliminated local memory bank conflicts · db8a55b3
  Peter Eastman authored Dec 04, 2010
  
  db8a55b3
26 Oct, 2010 1 commit
- Bug fix · e28ce558
  Peter Eastman authored Oct 26, 2010
  
  e28ce558
20 Oct, 2010 1 commit
- Began creating kernels optimized for CPU · e7b18ca4
  Peter Eastman authored Oct 20, 2010
  
  e7b18ca4
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
07 Jun, 2010 1 commit
- Minor optimizations to OpenCL · bd7cce70
  Peter Eastman authored Jun 07, 2010
  
  bd7cce70
07 May, 2010 1 commit
- Periodic box dimensions can be changed in the middle of a simulation · bcc6216d
  Peter Eastman authored May 07, 2010
  
  bcc6216d
05 May, 2010 1 commit
- CustomGBForce allows single-particle values to depend on position · 43e6e68c
  Peter Eastman authored May 05, 2010
  
  43e6e68c
04 May, 2010 1 commit
- Reverted the changes from revision 2214, which triggered a bug in the ATI compiler · a8ceded2
  Peter Eastman authored May 04, 2010
  
  a8ceded2
01 May, 2010 1 commit
- Corrected the syntax for the reqd_work_group_size attribute · e918cb6f
  Peter Eastman authored May 01, 2010
  
  e918cb6f
30 Apr, 2010 2 commits
- Minor simplification to nonbonded kernel · 31ed4381
  Peter Eastman authored Apr 30, 2010
  
  31ed4381
- Removed debugging code that accidentally got left in · b2c970f4
  Peter Eastman authored Apr 30, 2010
  
  b2c970f4
29 Apr, 2010 2 commits
- Added reqd_work_group_size attribute to some kernels · 5281aba4
  Peter Eastman authored Apr 29, 2010
  
  5281aba4
- Check accuracy of native_ functions and only use them if they are accurate enough · b2960968
  Peter Eastman authored Apr 29, 2010
  
  b2960968
28 Apr, 2010 2 commits
- Reduced bank conflicts in nonbonded kernel · 7b3a8266
  Peter Eastman authored Apr 28, 2010
  
  7b3a8266
- Restructured local memory in nonbonded kernel to reduce bank conflicts · cd6cb66a
  Peter Eastman authored Apr 28, 2010
  
  cd6cb66a