Commits · 95b02c8e282ab58290915b8ba861c120049f005a · tsoc / openmm

16 Jul, 2011 1 commit

Only use the atomic version of charge spreading on compute level 2.0 or later,... · 95b02c8e

Peter Eastman authored Jul 16, 2011

Only use the atomic version of charge spreading on compute level 2.0 or later, since it is slower than the other version on earlier GPUs.

95b02c8e

15 Jul, 2011 3 commits
- Fixed compilation error on Linux · 25881dc0
  Peter Eastman authored Jul 15, 2011
  
  25881dc0
- Upgraded to newer version of cl.hpp · eeb3e32c
  Peter Eastman authored Jul 15, 2011
  
  eeb3e32c
- Fixed bug in identifying shake clusters · c14b0b8e
  Peter Eastman authored Jul 15, 2011
  
  c14b0b8e
07 Jul, 2011 3 commits
- Switched back to always using the bundled cl.hpp, since the previous code... · f9d0115f
  Peter Eastman authored Jul 07, 2011
```
Switched back to always using the bundled cl.hpp, since the previous code didn't work on some OpenCL implementations
```
  f9d0115f
- Added lots of test cases for multi-GPU computation · aea33abb
  Peter Eastman authored Jul 07, 2011
  
  aea33abb
- Optimized CCMA · d98bd6b0
  Peter Eastman authored Jul 07, 2011
  
  d98bd6b0
05 Jul, 2011 2 commits
- Fixed error when using Nvidia GPU on Apple's OpenCL · ac6ab5b7
  Peter Eastman authored Jul 05, 2011
  
  ac6ab5b7
- 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
12 May, 2011 1 commit
- Optimized communication between GPUs by using pinned memory · 72dc8dfe
  Peter Eastman authored May 12, 2011
  
  72dc8dfe
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
04 May, 2011 4 commits
- Use the preinstalled cl.hpp if it's available · e68471ec
  Peter Eastman authored May 04, 2011
  
  e68471ec
- Very minor optimizations · a7b68da3
  Peter Eastman authored May 04, 2011
  
  a7b68da3
- Fix to the previous checkin (which broke load balancing) · c56b4801
  Peter Eastman authored May 04, 2011
  
  c56b4801
- Minor optimizations to data transfer between GPUs · 5a9897bd
  Peter Eastman authored May 04, 2011
  
  5a9897bd
29 Apr, 2011 2 commits
- Sum forces from different contexts on the GPU instead of the CPU · f631ecaf
  Peter Eastman authored Apr 29, 2011
  
  f631ecaf
- 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 2 commits
- Bug fix · f9dc3dd0
  Peter Eastman authored Apr 28, 2011
  
  f9dc3dd0
- Added pthreads library for Windows. Fixed other errors and warnings under Windows. · cb75edd4
  Peter Eastman authored Apr 28, 2011
  
  cb75edd4
26 Apr, 2011 2 commits
- Added dynamic load balancing between GPUs · dd352ee5
  Peter Eastman authored Apr 26, 2011
  
  dd352ee5
- Use a separate host thread for each device · 6e3526b4
  Peter Eastman authored Apr 26, 2011
  
  6e3526b4
23 Apr, 2011 1 commit
- Continuing to implement multi-GPU support · b51a1b3c
  Peter Eastman authored Apr 23, 2011
  
  b51a1b3c
22 Apr, 2011 1 commit
- Continuing to implement multi-GPU support · 5a89d510
  Peter Eastman authored Apr 22, 2011
  
  5a89d510
21 Apr, 2011 1 commit
- Began implementing multi-GPU support · e861abbc
  Peter Eastman authored Apr 21, 2011
  
  e861abbc
23 Mar, 2011 1 commit
- Fixed some uninitialized pointers · 65c025a1
  Peter Eastman authored Mar 23, 2011
  
  65c025a1
22 Mar, 2011 3 commits
- Removed debugging code that accidentally got left in · c12bac04
  Peter Eastman authored Mar 22, 2011
  
  c12bac04
- Disabled compiler optimizations for integrator kernels, since they caused excessive error on Fermi · 017e60c5
  Peter Eastman authored Mar 22, 2011
  
  017e60c5
- Trying to use an Integrator for multiple Contexts produces an exception · 7d4b549d
  Peter Eastman authored Mar 22, 2011
  
  7d4b549d
18 Mar, 2011 1 commit
- Minor improvements to Doxygen comments · 524bf8cb
  Peter Eastman authored Mar 18, 2011
  
  524bf8cb
14 Mar, 2011 1 commit
- Fixed compilation errors in debug mode · 3b859566
  Peter Eastman authored Mar 14, 2011
  
  3b859566
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
04 Feb, 2011 1 commit
- Initialize the positions and velocities of padding atoms to avoid the possibility of NaNs. · cd1223df
  Peter Eastman authored Feb 04, 2011
  
  cd1223df
01 Feb, 2011 3 commits
- Fixed bug on AMD processors · b2c28984
  Peter Eastman authored Feb 01, 2011
  
  b2c28984
- Test case was crashing if the neighbor list needed to be resized · 6f4944e0
  Peter Eastman authored Feb 01, 2011
  
  6f4944e0
- 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