Commits · ff7f1035069ada38434ece6a76e0a0cee87add38 · tsoc / openmm

19 Oct, 2012 1 commit
- The test for identical exceptions between nonbonded forces is order insensitive · ff7f1035
  Peter Eastman authored Oct 19, 2012
  
  ff7f1035
17 Oct, 2012 2 commits
- Finished implementing double precision for OpenCL · 59f8cf87
  Peter Eastman authored Oct 17, 2012
  
  59f8cf87
- Continuing to implement double precision in OpenCL · c8dac206
  Peter Eastman authored Oct 17, 2012
  
  c8dac206
10 Oct, 2012 1 commit

OpenCLArray is no longer templatized and doesn't provide a host buffer. This... · 1107aa83

Peter Eastman authored Oct 10, 2012

OpenCLArray is no longer templatized and doesn't provide a host buffer.  This is in preparation for adding mixed/double precision support.

1107aa83

23 Jun, 2012 1 commit
- Fixed errors under Intel OpenCL · f0454a4b
  Peter Eastman authored Jun 23, 2012
  
  f0454a4b
20 Mar, 2012 1 commit
- Tolerate round-off error when checking the box size against the cutoff distance · 56766760
  Peter Eastman authored Mar 20, 2012
  
  56766760
14 Mar, 2012 1 commit
- AMD support for 64 bit fixed point forces (currently disabled) · a5a7b902
  Peter Eastman authored Mar 14, 2012
  
  a5a7b902
02 Mar, 2012 1 commit
- Throw exception if the box size is reduced to less than twice the cutoff · 801c43ee
  Peter Eastman authored Mar 02, 2012
  
  801c43ee
14 Feb, 2012 1 commit
- OpenCL implementation of multiple time step integrators · 91247209
  Peter Eastman authored Feb 14, 2012
  
  91247209
27 Jan, 2012 1 commit
- Tony's optimizations to reduce local memory use · fed50628
  Peter Eastman authored Jan 27, 2012
  
  fed50628
17 Nov, 2011 1 commit
- Fixed bug in parallel nonbonded force · 1e2606ec
  Peter Eastman authored Nov 17, 2011
  
  1e2606ec
02 Nov, 2011 1 commit
- Fixed some incorrect argument indices · 63819881
  Peter Eastman authored Nov 02, 2011
  
  63819881
25 Oct, 2011 1 commit
- More changes from Tony to reduce local memory use · ce74c6ae
  Peter Eastman authored Oct 25, 2011
  
  ce74c6ae
15 Oct, 2011 1 commit
- Fixed some incorrect argument indices · b982b0e4
  Peter Eastman authored Oct 15, 2011
  
  b982b0e4
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
23 Sep, 2011 1 commit
- Optimized number of work groups · 5ed1d277
  Peter Eastman authored Sep 23, 2011
  
  5ed1d277
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
22 Aug, 2011 1 commit
- Fixed another case where the exclusions for CustomGBForce could be handled incorrectly · 84a14401
  Peter Eastman authored Aug 22, 2011
  
  84a14401
18 Aug, 2011 1 commit
- Fixed bug when CustomGBForce was told to use exclusions, but didn't have any... · e274d455
  Peter Eastman authored Aug 18, 2011
```
Fixed bug when CustomGBForce was told to use exclusions, but didn't have any exclusions.  (See bug 1519.)
```
  e274d455
18 Jul, 2011 1 commit
- Reduced number of force buffers on AMD · 952757a8
  Peter Eastman authored Jul 18, 2011
  
  952757a8
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
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
28 Apr, 2011 1 commit
- Added pthreads library for Windows. Fixed other errors and warnings under Windows. · cb75edd4
  Peter Eastman authored Apr 28, 2011
  
  cb75edd4
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
01 Feb, 2011 1 commit
- Bug fix on AMD GPUs. · 3ec0d906
  Peter Eastman authored Feb 01, 2011
  
  3ec0d906
10 Jan, 2011 1 commit
- Bug fix when running on CPU · b549b66f
  Peter Eastman authored Jan 10, 2011
  
  b549b66f
05 Jan, 2011 1 commit
- Fixed a bus error when the neighbor list size changes · 81cc37f3
  Peter Eastman authored Jan 05, 2011
  
  81cc37f3
04 Dec, 2010 1 commit
- Eliminated local memory bank conflicts · db8a55b3
  Peter Eastman authored Dec 04, 2010
  
  db8a55b3
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
26 Aug, 2010 1 commit
- Removed some debugging code that accidentally got left in · f981842a
  Peter Eastman authored Aug 26, 2010
  
  f981842a
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 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