Commits · 5b1faed965abaf2e3180037576455ab90a2d30e9 · tsoc / openmm

18 May, 2011 1 commit
- Fixed incorrect abbreviations for charge units · 5b1faed9
  Peter Eastman authored May 18, 2011
  
  5b1faed9
17 May, 2011 1 commit
- Fixed a mistake in the Python installation instructions · 798e651a
  Peter Eastman authored May 17, 2011
  
  798e651a
12 May, 2011 1 commit
- Optimized communication between GPUs by using pinned memory · 72dc8dfe
  Peter Eastman authored May 12, 2011
  
  72dc8dfe
10 May, 2011 1 commit
- Zero force contribution if index i or j > no. particles · 68446fd0
  Mark Friedrichs authored May 10, 2011
  
  68446fd0
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 5 commits
- Use the preinstalled cl.hpp if it's available · e68471ec
  Peter Eastman authored May 04, 2011
  
  e68471ec
- Fixed CMake error on Windows · f6ae2e9f
  Peter Eastman authored May 04, 2011
  
  f6ae2e9f
- 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 3 commits
- Continuing to implement multi-GPU support · 5a89d510
  Peter Eastman authored Apr 22, 2011
  
  5a89d510
- Removed padding to eliminate shared bank conflicts · 648d38d9
  Mark Friedrichs authored Apr 22, 2011
  
  648d38d9
- Checked in a file that got missed in the last checkin · c8526dfc
  Peter Eastman authored Apr 22, 2011
  
  c8526dfc
21 Apr, 2011 2 commits
- Began implementing multi-GPU support · e861abbc
  Peter Eastman authored Apr 21, 2011
  
  e861abbc
- Modified thread count for several kernels · b54d7c63
  Mark Friedrichs authored Apr 21, 2011
  
  b54d7c63
20 Apr, 2011 1 commit
- Direct space optimizations · 8a331fb9
  Mark Friedrichs authored Apr 20, 2011
  
  8a331fb9
13 Apr, 2011 3 commits
- Minor optimizations · af4d503a
  Mark Friedrichs authored Apr 13, 2011
  
  af4d503a
- Remove __mul24 calls · d4559528
  Mark Friedrichs authored Apr 13, 2011
  
  d4559528
- Added missing export for Windows · 82a90aac
  Mark Friedrichs authored Apr 13, 2011
  
  82a90aac
08 Apr, 2011 6 commits
- Debug guard around call to kReduceForces · 64b67556
  Mark Friedrichs authored Apr 08, 2011
  
  64b67556
- Added cudaMemcpy for initialization of induced dipoles · be73754b
  Mark Friedrichs authored Apr 08, 2011
  
  be73754b
- Removal of several arrays no longer needed · 6bad9d44
  Mark Friedrichs authored Apr 08, 2011
  
  6bad9d44
- Mods associated w/ polarization type parameter · 1beac75d
  Mark Friedrichs authored Apr 08, 2011
  
  1beac75d
- Added support for polarization type='direct' option · b1dc92cc
  Mark Friedrichs authored Apr 08, 2011
```
WCA force now written directly to cuda.force4 array
```
  b1dc92cc
- Added $ENV{AMDAPPSDKROOT} to the list of locations to look for OpenCL. · 959f2fab
  Peter Eastman authored Apr 08, 2011
  
  959f2fab
07 Apr, 2011 4 commits
- Torques now mapped to forces only once per force calculation · 1aff5bcb
  Mark Friedrichs authored Apr 07, 2011
  
  1aff5bcb
- Added loop over particles for torque mapping · 101f206d
  Mark Friedrichs authored Apr 07, 2011
  
  101f206d
- Fix for isolated ions · 41abd9fb
  Mark Friedrichs authored Apr 07, 2011
  
  41abd9fb
- Removal of limitation for 'long-range in sequence' covalent bonds · 761d7e17
  Mark Friedrichs authored Apr 07, 2011
```
Reduced memory footprint
```
  761d7e17
31 Mar, 2011 3 commits
- Updated version number and date in README file · 80c4976e
  Peter Eastman authored Mar 31, 2011
  
  80c4976e
- Modify thread setting kCalculateAmoebaCudaMutualInducedField and kCalculateAmoebaCudaFixedEField · c4dae219
  Mark Friedrichs authored Mar 31, 2011
```
Add logging guards 
```
  c4dae219
- Removed logging output · e0741f7b
  Mark Friedrichs authored Mar 31, 2011
  
  e0741f7b