Commits · b50093247f610c36e1edf7010b90f257a449c15c · tsoc / openmm

01 Dec, 2011 1 commit
- Workaround for Nvidia compiler bug where compute level 1.2 processors try to... · b5009324
  Peter Eastman authored Dec 01, 2011
```
Workaround for Nvidia compiler bug where compute level 1.2 processors try to compile double precision code
```
  b5009324
28 Nov, 2011 1 commit
- Switched to a more accurate approximation for erfc() · 2586776f
  Peter Eastman authored Nov 28, 2011
  
  2586776f
15 Nov, 2011 1 commit
- Bug fix · 74e0ee22
  Peter Eastman authored Nov 15, 2011
  
  74e0ee22
11 Nov, 2011 1 commit
- Workaround for compiler bug on Lion · 31748d0b
  Peter Eastman authored Nov 11, 2011
  
  31748d0b
10 Nov, 2011 2 commits
- Fixed lots of warnings and errors on Lion · 03a5288d
  Peter Eastman authored Nov 10, 2011
  
  03a5288d
- Fix for OBC Born sum · dbccf50f
  Mark Friedrichs authored Nov 10, 2011
  
  dbccf50f
08 Nov, 2011 2 commits
- Applied rev 3035 fix for OpenCL OBC Born to all code blocks · 9425210a
  Mark Friedrichs authored Nov 08, 2011
  
  9425210a
- Bug fixes for Nvidia OBC · b3dbaeaa
  Mark Friedrichs authored Nov 08, 2011
  
  b3dbaeaa
04 Nov, 2011 4 commits
- Fixed bugs in CPU version of PME · bc961dd3
  Peter Eastman authored Nov 04, 2011
  
  bc961dd3
- Fixed bugs in CPU version of FFT · cb388aca
  Peter Eastman authored Nov 04, 2011
  
  cb388aca
- Fixed bugs in CPU version of Custom GB · 52a6a366
  Peter Eastman authored Nov 04, 2011
  
  52a6a366
- Fixed bug in CPU version of GBSA · 600a7afa
  Peter Eastman authored Nov 04, 2011
  
  600a7afa
03 Nov, 2011 1 commit
- Added volatile keywords to work correctly with CUDA 4.1 · ad2d5c0a
  Peter Eastman authored Nov 03, 2011
  
  ad2d5c0a
02 Nov, 2011 2 commits
- Correction to the previous optimization · 5a946c29
  Peter Eastman authored Nov 02, 2011
  
  5a946c29
- Eliminated some duplicated work · 7e544edd
  Peter Eastman authored Nov 02, 2011
  
  7e544edd
25 Oct, 2011 2 commits
- Workaround for crash on AMD GPUs · 028ad9d0
  Peter Eastman authored Oct 25, 2011
  
  028ad9d0
- 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 2 commits
- Added "const" and "restrict" to lots of kernel arguments to let the compiler do more optimizations · 69e75377
  Peter Eastman authored Oct 07, 2011
  
  69e75377
- Fixed errors in GB on AMD GPUs · bf8b9f30
  Peter Eastman authored Oct 07, 2011
  
  bf8b9f30
22 Sep, 2011 1 commit
- Optimizations to CCMA · 82f9a867
  Peter Eastman authored Sep 22, 2011
  
  82f9a867
21 Sep, 2011 1 commit
- Optimizations to GB · cf4c6d52
  Peter Eastman authored Sep 21, 2011
  
  cf4c6d52
19 Sep, 2011 1 commit
- Minor optimizations to custom forces · 84f5e008
  Peter Eastman authored Sep 19, 2011
  
  84f5e008
14 Sep, 2011 2 commits
- Converted more forces to use OpenCLBondedUtilities · f51a85b9
  Peter Eastman authored Sep 14, 2011
  
  f51a85b9
- Created OpenCLBondedUtilities · 42b9d891
  Peter Eastman authored Sep 14, 2011
  
  42b9d891
12 Sep, 2011 1 commit
- Reduced the number of kernel executions to clear buffers · 9ab32c50
  Peter Eastman authored Sep 12, 2011
  
  9ab32c50
09 Sep, 2011 3 commits
- Fixed error on GPUs with only 16K local memory · 61c50862
  Peter Eastman authored Sep 09, 2011
  
  61c50862
- Minor optimizations to GBSA · 91f3379b
  Peter Eastman authored Sep 09, 2011
  
  91f3379b
- Minor performance optimizations · d2a5b3bb
  Peter Eastman authored Sep 09, 2011
  
  d2a5b3bb
08 Sep, 2011 1 commit
- Optimizations to PME reciprocal space calculation · 592dc5a9
  Peter Eastman authored Sep 08, 2011
  
  592dc5a9
07 Sep, 2011 1 commit
- Optimizations to FFT · c08d8a53
  Peter Eastman authored Sep 07, 2011
  
  c08d8a53
02 Sep, 2011 3 commits
- Additional minor optimizations to PME direct space computation · e85c741b
  Peter Eastman authored Sep 02, 2011
  
  e85c741b
- Using fast approximation for erfc instead of tabulated values · 0e5d3fb1
  Peter Eastman authored Sep 02, 2011
  
  0e5d3fb1
- 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
22 Jul, 2011 1 commit
- Bug fix in AMD code · 53d1c90e
  Peter Eastman authored Jul 22, 2011
  
  53d1c90e
05 Jul, 2011 1 commit
- Implemented faster version of charge spreading on GPUs that support 64 bit atomics · ec3ee586
  Peter Eastman authored Jul 05, 2011
  
  ec3ee586
13 Jun, 2011 1 commit
- Fixed bug where angles at 180 degrees would sometimes produce nans · 38839771
  Peter Eastman authored Jun 13, 2011
  
  38839771
27 May, 2011 1 commit
- Optimization to improve cache coherency in charge spreading kernel · 839ab51e
  Peter Eastman authored May 27, 2011
  
  839ab51e
09 May, 2011 2 commits
- Restructured the use of force buffers in a new way that hopefully really works everywhere. · 7943a339
  Peter Eastman authored May 09, 2011
  
  7943a339
- Optimizations on AMD suggested by Tony Tye · 13ef0ee8
  Peter Eastman authored May 09, 2011
  
  13ef0ee8