Evan Pretti
05472c9a81
Update file headers ( #5074 )
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* Replace SimTK-containing file headers
* Update file headers for new Tinker reader files added
2025-09-23 10:27:26 -07:00
Peter Eastman
d47ea1de35
Unified storage of global parameters ( #5002 )
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* Unified storage of global parameters
* Fixes to CUDA and HIP
* Store global parameters as real instead of float
2025-07-09 14:57:06 -07:00
Peter Eastman
2443dceee5
Common implementation of NonbondedForce ( #4922 )
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* Use common API for kernels
* More code uses common interface
* Bug fixes
* Unified interface for sorting
* Simplified interface for FFT
* Use common event API for synchronization
* Minor changes to make code more consistent between platforms
* Common implementation of NonbondedForce
* Bug fixes
* Flag to enable list of single pairs
* CUDA and OpenCL use common implementation of NonbondedForce
* Fixed compilation error
* HIP uses common implementation of NonbondedForce
2025-05-05 08:54:36 -07:00
Peter Eastman
71d9bb13c9
Optimize sorting of non-uniformly distributed data ( #3383 )
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* Optimized CudaSort for non-uniformly distributed data
* Optimized OpenCLSort for non-uniformly distributed data
* Further tuned distributing elements between buckets
* Copied optimizations over to OpenCL
2021-12-26 16:00:28 -08:00
peastman
aee84c82b1
Completed OpenCL implementation of CustomCVForce
2017-06-15 12:19:06 -07:00
Peter Eastman
8d293880fd
Parallelized the code for downloading positions
2016-02-04 10:20:27 -08:00
Peter Eastman
3a0fa3b268
Created property for disabling the PME stream
2016-01-20 16:11:54 -08:00
peastman
300758a54e
Platform specific header files get installed. This allows plugins to be built with just an OpenMM installation, not a full source tree.
2013-07-08 16:34:35 -07:00
peastman
f2548616f2
OpenCL platform can use the CPU based PME
2013-06-27 13:56:54 -07:00
Peter Eastman
74ba76fc71
Workaround for bug in AMD's OpenCL for Linux
2013-04-23 00:21:34 +00:00
Peter Eastman
93c467b21f
Merged 5.1Optimizations branch back to trunk
2013-03-22 21:21:21 +00:00
Peter Eastman
3c8adf0c91
OpenCL and CUDA tests are run three times, once for each precision model
2012-10-31 18:51:23 +00:00
Peter Eastman
8d6a2a0129
Beginnings of mixed/double precision support in OpenCL
2012-10-16 00:33:25 +00:00
Peter Eastman
1107aa83ca
OpenCLArray is no longer templatized and doesn't provide a host buffer. This is in preparation for adding mixed/double precision support.
2012-10-10 22:04:57 +00:00
Peter Eastman
59b0c5fa7f
Implemented updateParametersInContext() for NonbondedForce
2012-05-31 21:43:41 +00:00
Peter Eastman
fcdba25c0b
Fixed bugs in checkpointing
2012-05-11 23:06:02 +00:00
Peter Eastman
a566a07487
Added index bounds checking to lots of methods
2012-01-31 00:07:41 +00:00
Peter Eastman
c35407a81a
Tony Tye's optimizations to sorting. Also a couple of other very minor fixes.
2012-01-13 20:16:03 +00:00
Peter Eastman
6660be2ff1
Added OpenCLPlatformIndex property for selecting platform
2011-10-27 18:28:11 +00:00
Peter Eastman
b51a1b3c7b
Continuing to implement multi-GPU support
2011-04-23 00:05:17 +00:00
Peter Eastman
e861abbc49
Began implementing multi-GPU support
2011-04-21 22:55:36 +00:00
Peter Eastman
b06fc4a7a4
Moved SFMT into libraries folder, and restructured it to allow multiple independent random number generators
2010-05-10 20:39:57 +00:00
Peter Eastman
6c542539a3
Created OpenCL sorting algorithm
2010-01-20 21:58:49 +00:00
