Commits · 76519691c273e570789a30210f6af4543b3acdf4 · tsoc / openmm

19 Jun, 2017 1 commit
- Sum energy on the GPU · 711c3a5a
  Peter Eastman authored Jun 19, 2017
  
  711c3a5a
16 Jun, 2017 1 commit
- CUDA implementation of CustomCVForce · f995aceb
  Peter Eastman authored Jun 16, 2017
  
  f995aceb
18 May, 2017 1 commit
- Preliminary support for Volta GPUs · b83d49ac
  Peter Eastman authored May 18, 2017
  
  b83d49ac
03 Mar, 2017 1 commit
- Use C++11 style loops · ab8f1021
  peastman authored Mar 02, 2017
  
  ab8f1021
15 Feb, 2017 1 commit
- Optimizations to updateParametersInContext() for CUDA · 2a1e9acf
  Peter Eastman authored Feb 15, 2017
  
  2a1e9acf
13 Oct, 2016 1 commit
- Remove warning about runtime compiler on CUDA 8.0 · fd91f608
  Peter Eastman authored Oct 13, 2016
  
  fd91f608
02 Sep, 2016 1 commit
- If temp directory does not exist, use runtime compiler · bdc8f29e
  Peter Eastman authored Sep 02, 2016
  
  bdc8f29e
19 Aug, 2016 1 commit
- Minor optimizations · d927ff49
  Peter Eastman authored Aug 19, 2016
  
  d927ff49
05 Aug, 2016 1 commit
- Prefer nvcc over runtime compiler · 978e3a08
  Peter Eastman authored Aug 05, 2016
  
  978e3a08
27 Jul, 2016 1 commit
- Began CUDA implementation of parameter derivatives · eae8def5
  Peter Eastman authored Jul 27, 2016
  
  eae8def5
25 May, 2016 1 commit
- Improved method for resizing neighbor list · 6cc2edd1
  Peter Eastman authored May 25, 2016
  
  6cc2edd1
21 Apr, 2016 1 commit
- Unified names of platform properties · f12cb008
  Peter Eastman authored Apr 21, 2016
  
  f12cb008
15 Dec, 2015 1 commit
- Minor optimization · 2a02b6f1
  Peter Eastman authored Dec 15, 2015
  
  2a02b6f1
14 Dec, 2015 1 commit
- Bug fixes · 80d41381
  Peter Eastman authored Dec 14, 2015
  
  80d41381
25 Oct, 2015 3 commits
- code review · eb5a680d
  Robert McGibbon authored Oct 25, 2015
  
  eb5a680d
- Update CudaContext.cpp · 4930cd8c
  Robert T. McGibbon authored Oct 25, 2015
  
  4930cd8c
- Ensure context can be created when selecting CUDA device · 43926c46
  Robert T. McGibbon authored Oct 23, 2015
```
This change is intended to improve the behavior when multiple
CUDA contexts are created on a node with multiple CUDA GPUs,
each of which is set to process-exclusive mode.
```
  43926c46
08 Oct, 2015 1 commit
- Added checks for nan coordinates in CUDA and OpenCL · dd5e8e8b
  Peter Eastman authored Oct 08, 2015
  
  dd5e8e8b
02 Oct, 2015 1 commit
- Further improved energy accuracy in mixed precision mode · 1f2b65da
  Peter Eastman authored Oct 02, 2015
  
  1f2b65da
04 Sep, 2015 1 commit
- Throw an exception if an illegal device or platform index is specified · d5f5193f
  peastman authored Sep 04, 2015
  
  d5f5193f
07 Jul, 2015 1 commit
- CUDA allows different force groups to have different cutoffs · 85532a52
  Peter Eastman authored Jul 07, 2015
  
  85532a52
19 Feb, 2015 1 commit
- Fixed some test cases that were failing · 1ce17590
  peastman authored Feb 19, 2015
  
  1ce17590
13 Feb, 2015 2 commits
- Cleanup to CUDA compiler plugin · 8fa08870
  Peter Eastman authored Feb 13, 2015
  
  8fa08870
- Created plugin for CUDA runtime compiler · 7e29671a
  Peter Eastman authored Feb 13, 2015
  
  7e29671a
06 Feb, 2015 1 commit
- Bug fixes to triclinic boxes · 050e1262
  Peter Eastman authored Feb 05, 2015
  
  050e1262
07 Jan, 2015 1 commit
- Fixed some methods that should have been marked const · 17c06daa
  Peter Eastman authored Jan 07, 2015
  
  17c06daa
05 Jan, 2015 1 commit
- Beginning of CUDA support for triclinic boxes · 61458a5f
  Peter Eastman authored Jan 05, 2015
  
  61458a5f
18 Nov, 2014 1 commit
- Added error codes from CUDA 5.0 · 285a12db
  peastman authored Nov 18, 2014
  
  285a12db
21 Oct, 2014 1 commit
- Optimizations to multi-GPU calculations · 390e0a6b
  root authored Oct 21, 2014
  
  390e0a6b
15 Oct, 2014 1 commit
- Workaround to support GTX 980 · 942d4d7a
  Peter Eastman authored Oct 15, 2014
  
  942d4d7a
08 Oct, 2014 1 commit
- CUDA platform does PME on a separate stream · 832e7f04
  peastman authored Oct 08, 2014
  
  832e7f04
06 Jan, 2014 1 commit
- Improved logic for selecting a platform to better deal with exceptions in context initialization · d91e3f19
  peastman authored Jan 06, 2014
  
  d91e3f19
21 Dec, 2013 1 commit
- Fixed quotes in command line when using CudaHostCompiler option · cc11a449
  peastman authored Dec 20, 2013
  
  cc11a449
13 Dec, 2013 1 commit
- Added option for setting CUDA host compiler · b989fd9b
  peastman authored Dec 13, 2013
  
  b989fd9b
16 Aug, 2013 1 commit
- Fixed numeric problems using PME with Drude particles · 26c51a0c
  peastman authored Aug 16, 2013
  
  26c51a0c
01 Aug, 2013 1 commit

Converted the routine for identifying molecules from a recursion to a loop. ... · b2d5520d

peastman authored Aug 01, 2013

Converted the routine for identifying molecules from a recursion to a loop.  This avoids stack overflows with very long linear molecules.

b2d5520d

30 Jul, 2013 2 commits
- Can set OPENMM_CACHE_DIR to specify where PTX files should be cached · bf34e947
  peastman authored Jul 30, 2013
  
  bf34e947
- Cache filename specifies whether it was compiled in 32 or 64 bit mode · 00f51540
  peastman authored Jul 29, 2013
  
  00f51540
29 Jul, 2013 1 commit
- Cache the PTX files for compiled kernels · d7aebd3a
  peastman authored Jul 29, 2013
  
  d7aebd3a
26 Jul, 2013 1 commit
- Include process ID in temporary file names to avoid collisions · 71b66a9b
  Peter Eastman authored Jul 26, 2013
  
  71b66a9b