Commits · 7943a3390a9672e2e212fcad8514c2c4c50ba80e · tsoc / openmm · GitLab

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 4 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
- Removed unnecessary sampler declaration · 466f7ac1
  Peter Eastman authored Apr 28, 2010
  
  466f7ac1
- Optimization to OpenCL platform: use tabulated values for erfc() · 40891bab
  Peter Eastman authored Apr 28, 2010
  
  40891bab
26 Apr, 2010 1 commit
- Optimizations to OpenCL platform · 3f2c29fb
  Peter Eastman authored Apr 26, 2010
  
  3f2c29fb
28 Oct, 2009 1 commit
- Created OpenCL implementation of GBSAOBCForce that works with non-Nvidia processors · 95e059dc
  Peter Eastman authored Oct 28, 2009
  
  95e059dc
21 Oct, 2009 1 commit
- Created OpenCL implementation of NonbondedForce that works with non-Nvidia processors · e43f14bf
  Peter Eastman authored Oct 21, 2009
  
  e43f14bf
19 Oct, 2009 1 commit
- Optimized nonbonded kernels by inlining lots of constant quantities · d65992ea
  Peter Eastman authored Oct 19, 2009
  
  d65992ea
14 Oct, 2009 1 commit
- Finished OpenCL implementation of GBSA (not yet fully debugged) · 2a465d40
  Peter Eastman authored Oct 14, 2009
  
  2a465d40
10 Oct, 2009 1 commit
- Began OpenCL implementation of GBSA · ffab317b
  Peter Eastman authored Oct 10, 2009
  
  ffab317b
08 Oct, 2009 1 commit
- Finished implementing cutoffs and periodic boundary conditions · a8e9c99a
  Peter Eastman authored Oct 08, 2009
  
  a8e9c99a
06 Oct, 2009 3 commits
- Refactored nonbonded kernel to allow the same code to be used for other forces · 072fc120
  Peter Eastman authored Oct 06, 2009
  
  072fc120
- Implemented cutoffs and periodic boundary conditions · d70147d5
  Peter Eastman authored Oct 06, 2009
  
  d70147d5
- Continuing implementation of nonbonded forces · c3125421
  Peter Eastman authored Oct 06, 2009
  
  c3125421
01 Oct, 2009 2 commits
- Continuing implementation of nonbonded forces · ed1fb192
  Peter Eastman authored Oct 01, 2009
  
  ed1fb192
- Began implementing nonbonded forces · 3976ad91
  Peter Eastman authored Oct 01, 2009
  
  3976ad91