Commits · abc4a81ebd892aa98d4614a21cc975d33aa749bd · tsoc / openmm

15 Apr, 2010 1 commit
- More changes to get cuda build working on t0.simtk.org with just the one · abc4a81e
  Christopher Bruns authored Apr 15, 2010
```
FindCUDA.cmake.
```
  abc4a81e
14 Apr, 2010 3 commits
- OpenCL version of CustomHbondForce now supports exclusions · e706d710
  Peter Eastman authored Apr 14, 2010
  
  e706d710
- OpenCL version of CustomHbondForce is now complete (except for exclusions) · 6ba9a156
  Peter Eastman authored Apr 14, 2010
  
  6ba9a156
- Refactored cmake build system to use just one FindCUDA.cmake, under cmake_modules subdirectory, · 68c89df6
  Christopher Bruns authored Apr 14, 2010
```
based on the FindCUDA.cmake that was in the platforms/cuda/cuda-make directory.
Setting of CUDA_NVCC_FLAGS is now in top-level CMakeLists.txt, in case I ever figure out how
to get this working with the cmake 2.8 installed system version of FindCUDA.cmake.
Before this change, there were three separate FindCUDA.cmake areas.  Now there is just one.
```
  68c89df6
10 Apr, 2010 1 commit
- Optimizations to the CUDA implementation of CCMA · 6768d049
  Peter Eastman authored Apr 10, 2010
  
  6768d049
09 Apr, 2010 4 commits
- Default CMAKE_BUILD_TYPE to Release, not Debug · c961d453
  Christopher Bruns authored Apr 09, 2010
  
  c961d453
- Fixed bug in CCMA convergence detection · 4de1df08
  Peter Eastman authored Apr 09, 2010
  
  4de1df08
- Eliminated a compilation warning · 2eaa120b
  Peter Eastman authored Apr 09, 2010
  
  2eaa120b
- Restructured CCMA code to work on Fermi boards · 1d0193eb
  Peter Eastman authored Apr 09, 2010
  
  1d0193eb
08 Apr, 2010 2 commits
- Fixed bug in writing forces to global memory (see bug 1080) · 5301b9cc
  Peter Eastman authored Apr 08, 2010
  
  5301b9cc
- Optimization: reduced the number of thread blocks · fac4150f
  Peter Eastman authored Apr 08, 2010
  
  fac4150f
07 Apr, 2010 3 commits
- Added newlines to eliminate compiler warnings · e360f3fd
  Peter Eastman authored Apr 07, 2010
  
  e360f3fd
- Added "explicit" keyword to constructors for several API classes. · 51bf5ee4
  Christopher Bruns authored Apr 07, 2010
  
  51bf5ee4
- Fixed threading bug in PME · 066cfd60
  Peter Eastman authored Apr 07, 2010
  
  066cfd60
06 Apr, 2010 2 commits
- Bug fix · d6ad6438
  Peter Eastman authored Apr 06, 2010
  
  d6ad6438
- Bug fix · 536ebaf7
  Peter Eastman authored Apr 06, 2010
  
  536ebaf7
05 Apr, 2010 2 commits
- Modified pForce4a -> pForce4 · 2db43eae
  Mark Friedrichs authored Apr 05, 2010
  
  2db43eae
- Bug fix on ATI processors · aeb5dc66
  Peter Eastman authored Apr 05, 2010
  
  aeb5dc66
01 Apr, 2010 1 commit

All platforms now handle nonbonded exceptions in a consistent way (they ignore... · b97ff259

Peter Eastman authored Apr 01, 2010

All platforms now handle nonbonded exceptions in a consistent way (they ignore cutoffs and periodic boundary conditions).  Also started OpenCL implementation of CustomHbondForce.

b97ff259

31 Mar, 2010 1 commit
- Fix allocation of shared memory for shake kernels · ca63e6d8
  Mark Friedrichs authored Mar 31, 2010
  
  ca63e6d8
30 Mar, 2010 2 commits
- Fixed compilation errors under AMD's OpenCL · 8868141e
  Peter Eastman authored Mar 30, 2010
  
  8868141e
- Fixed bug processing exclusions with Ewald (bug 1085) · 7482534e
  Peter Eastman authored Mar 30, 2010
  
  7482534e
29 Mar, 2010 1 commit
- Fixed compilation error under some versions of gcc · 22736b07
  Peter Eastman authored Mar 29, 2010
  
  22736b07
26 Mar, 2010 3 commits
- Throw an exception if the user includes a GBSAOBCForce but no NonbondedForce (bug 1083) · b9075abe
  Peter Eastman authored Mar 26, 2010
  
  b9075abe
- Bug fix · 26721ca2
  Peter Eastman authored Mar 26, 2010
  
  26721ca2
- Optimization (consolidated two SHAKE related kernels into one) · 845050d4
  Peter Eastman authored Mar 26, 2010
  
  845050d4
25 Mar, 2010 3 commits
- Reduced number of force buffers for GBSA · 08f52358
  Peter Eastman authored Mar 25, 2010
  
  08f52358
- Optimization (clear the force and Born sum buffers in a single kernel) · f5ea8297
  Peter Eastman authored Mar 25, 2010
  
  f5ea8297
- Optimization (reduce bank conflicts) · 2cb112f0
  Peter Eastman authored Mar 25, 2010
  
  2cb112f0
24 Mar, 2010 3 commits
- Updated nvcc flags for CUDA 3.0 · 9ecb1797
  Peter Eastman authored Mar 24, 2010
  
  9ecb1797
- Removed staticTarget · 8196dbf7
  Mark Friedrichs authored Mar 24, 2010
  
  8196dbf7
- Comment back in ccma loop · 6c47fdcc
  Mark Friedrichs authored Mar 24, 2010
  
  6c47fdcc
23 Mar, 2010 1 commit
- Added static target · 26bf988d
  Mark Friedrichs authored Mar 23, 2010
  
  26bf988d
22 Mar, 2010 4 commits
- Makes Fermi more less work... · 2b581bfd
  Scott Le Grand authored Mar 22, 2010
  
  2b581bfd
- No commit message · 2f1c9531
  Scott Le Grand authored Mar 22, 2010
```
No commit message
```
  2f1c9531
- No commit message · c85128ac
  Scott Le Grand authored Mar 22, 2010
```
No commit message
```
  c85128ac
- No commit message · 734d5d67
  Scott Le Grand authored Mar 22, 2010
```
No commit message
```
  734d5d67
19 Mar, 2010 1 commit
- Update thread counts for Fermi-board · a409f0e8
  Mark Friedrichs authored Mar 19, 2010
  
  a409f0e8
12 Mar, 2010 1 commit
- Added collinear atoms test · 80c69c93
  Mark Friedrichs authored Mar 12, 2010
  
  80c69c93
11 Mar, 2010 1 commit

Change Fortran wrapper building script (wrappers/FortranWrapper_Header.xslt)... · 18ee451c

Randall Radmer authored Mar 11, 2010

Change Fortran wrapper building script (wrappers/FortranWrapper_Header.xslt) to add line breaks between function and subroutine arguments.  This was needed to keep lines under 132 characters in length

18ee451c