Commits · 1107aa83ca47533a3c72320e7de9a3e22ca74805 · tsoc / openmm

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

05 Oct, 2012 2 commits
- Fixed performance bug in mixed precision · 5980100d
  Peter Eastman authored Oct 05, 2012
  
  5980100d
- Eliminated mixed precision accumulation for nonbonded forces, which had negligible benefit · b0161939
  Peter Eastman authored Oct 05, 2012
  
  b0161939
04 Oct, 2012 1 commit
- Finished implementing mixed precision model · 8cda1b79
  Peter Eastman authored Oct 04, 2012
  
  8cda1b79
02 Oct, 2012 1 commit
- Began implementing new mixed precision model that does integration in double... · 9ad85ebd
  Peter Eastman authored Oct 02, 2012
```
Began implementing new mixed precision model that does integration in double precision and force evaluation in single precision
```
  9ad85ebd
28 Sep, 2012 2 commits
- Renamed cuda2 platform to cuda · 58b094ce
  Peter Eastman authored Sep 28, 2012
  
  58b094ce
- Renamed old CUDA platform to cuda-old · 5a25b4ec
  Peter Eastman authored Sep 28, 2012
  
  5a25b4ec
27 Sep, 2012 1 commit
- Fixed test cases that used a Context without setting positions · 01269257
  Peter Eastman authored Sep 27, 2012
  
  01269257
25 Sep, 2012 1 commit
- Fixed bug when using multiple Contexts at once · 3d98a96f
  Peter Eastman authored Sep 25, 2012
  
  3d98a96f
21 Sep, 2012 1 commit
- Can use OPENMM_CUDA_COMPILER environment variable to set the path to the CUDA compiler · 20e01186
  Peter Eastman authored Sep 21, 2012
  
  20e01186
11 Sep, 2012 1 commit
- Minor cleanup to PME · 235a88e5
  Peter Eastman authored Sep 11, 2012
  
  235a88e5
10 Sep, 2012 1 commit
- Committing FFTWs to work with complex conjugate arrays. Decoupled energy and... · b27a0bd6
  Yutong Zhao authored Sep 10, 2012
```
Committing FFTWs to work with complex conjugate arrays. Decoupled energy and force calculation into two separate kernels.
```
  b27a0bd6
07 Sep, 2012 1 commit
- fixed sigmaEpsilon padding errors. Gets rid of computeNonbonded cuda-memcheck errors · 9fffe6da
  Yutong Zhao authored Sep 07, 2012
  
  9fffe6da
29 Aug, 2012 1 commit

Continuing to convert AmoebaMultipoleForce: implemented routines to get system... · 5c071a07

Peter Eastman authored Aug 29, 2012

Continuing to convert AmoebaMultipoleForce: implemented routines to get system multipole moments and potential at grid points.  Some bug fixes.

5c071a07

28 Aug, 2012 1 commit
- Fixed errors on Intel OpenCL · b8e15090
  Peter Eastman authored Aug 28, 2012
  
  b8e15090
21 Aug, 2012 1 commit
- Fixed compilation error on compute level 2.1 GPUs · 3af4da86
  Peter Eastman authored Aug 21, 2012
  
  3af4da86
20 Jul, 2012 1 commit
- Continuing converting AMOEBA to the new CUDA platform: starting on AmoebaMultipoleForce · d0426ba9
  Peter Eastman authored Jul 20, 2012
  
  d0426ba9
12 Jul, 2012 1 commit
- Fixed a memory leak · a90c90e2
  Peter Eastman authored Jul 12, 2012
  
  a90c90e2
10 Jul, 2012 2 commits
- Implemented mixed precision mode · 18fb6efc
  Peter Eastman authored Jul 10, 2012
  
  18fb6efc
- Set default cache configuration for the context · 76716f1c
  Peter Eastman authored Jul 10, 2012
  
  76716f1c
06 Jul, 2012 1 commit
- Optimizations to new CUDA platform · 2bb875b0
  Peter Eastman authored Jul 06, 2012
  
  2bb875b0
03 Jul, 2012 2 commits
- New CUDA platform works on Windows · ca7fd533
  Peter Eastman authored Jul 03, 2012
  
  ca7fd533
- Fixed bugs when using double precision · cf112a25
  Peter Eastman authored Jul 03, 2012
  
  cf112a25
02 Jul, 2012 1 commit
- Changed number of nonbonded thread blocks to improve performance · dac874af
  Peter Eastman authored Jul 02, 2012
  
  dac874af
28 Jun, 2012 3 commits
- Use the __popc intrinsic for counting bits · c77af6e9
  Peter Eastman authored Jun 28, 2012
  
  c77af6e9
- Optimization: use mapped memory to communicate when CCMA is converged · f0c2e89c
  Peter Eastman authored Jun 28, 2012
  
  f0c2e89c
- Merged lots of kernels into fewer files to reduce compilation time · 1afb079f
  Peter Eastman authored Jun 28, 2012
  
  1afb079f
27 Jun, 2012 3 commits
- Fixed errors in which destructors were executed in the wrong order · 9353e464
  Peter Eastman authored Jun 27, 2012
  
  9353e464
- Minor cleanup and bug fixes · 0a850783
  Peter Eastman authored Jun 27, 2012
  
  0a850783
- Continuing to implement new CUDA platform: CustomGBForce · f6346776
  Peter Eastman authored Jun 27, 2012
  
  f6346776
25 Jun, 2012 1 commit
- Fixed compilation error · 5feaa943
  Peter Eastman authored Jun 25, 2012
  
  5feaa943
23 Jun, 2012 1 commit
- Fixed errors under Intel OpenCL · f0454a4b
  Peter Eastman authored Jun 23, 2012
  
  f0454a4b
22 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: checkpointing, parallelization across multiple devices · 387008ce
  Peter Eastman authored Jun 22, 2012
  
  387008ce
21 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: GBSAOBCForce · 17ae3aae
  Peter Eastman authored Jun 21, 2012
  
  17ae3aae
20 Jun, 2012 4 commits
- Fixed compilation errors · e2fc86ab
  Peter Eastman authored Jun 20, 2012
  
  e2fc86ab
- Bug fixes and additional test cases · fe589755
  Peter Eastman authored Jun 20, 2012
  
  fe589755
- Made the identification of temporary files directory more robust · 16f43ede
  Peter Eastman authored Jun 20, 2012
  
  16f43ede
- Continuing to implement new CUDA platform: CustomNonbondedForce, CustomHbondForce, CustomIntegrator · bd22eada
  Peter Eastman authored Jun 20, 2012
  
  bd22eada
19 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: virtual sites · bf1f6f32
  Peter Eastman authored Jun 19, 2012
  
  bf1f6f32
18 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: AndersenThermostat, MonteCarloBarostat, CMMotionRemover · 6e842d8c
  Peter Eastman authored Jun 18, 2012
  
  6e842d8c