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Artem Zhmurov

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07/05/2019

11:05 AM GROMACS Revision 6385f296: Remove PImpl scaffolding from CUDA version of LINCS
The CUDA implementation of LINCS was initially introduced as a
stand-alone feature. This required hiding CUDA-specifi...

07/04/2019

08:23 AM GROMACS Revision 1b64f6aa: Use reallocateDeviceBuffer(...) in CUDA version of SETTLE
Refs #2886 and #2888
Change-Id: Ia45254a24eda8e6ad151b1f4c6583b1a2c926004

07/03/2019

01:56 PM GROMACS Revision 09f843b1: Early exit for CUDA versions of SETTLE and LINCS
Change-Id: Ia3c56a1be6b8ceaa8e1b7be956c1f1f3628c9139
01:01 PM GROMACS Revision 747c371c: Memory management fixes in CUDA version of LINCS
This fix is to prepare LINCS to run with DD.
1. The masses array size depends on the current number of atoms
rath...
11:21 AM GROMACS Task #2053: refine notation in GPU code
Update for the naming convention for these variables for d_<bufferName>_:
numBufferName_
numBufferNameAlloc_
11:03 AM Support Platforms Feature #3020 (New): Make DeviceBuffer into a proper class
Currently, the management of the allocated and actual sizes of the buffers on the GPU is handled by the consumers of ...
09:42 AM GROMACS Revision fb7a59cd: Combine CUDA Leap-Frog, LINCS and SETTLE. II.
Stand-alone CUDA implementations of Leap-Frog, LINCS
and SETTLE required additional scaffolding for integration
and t...

07/02/2019

12:17 PM GROMACS Task #2053: refine notation in GPU code
The reallocateDeviceBuffer uses two numbers too keep track of allocated memory:
1. What is the number of the active ...

06/18/2019

11:24 AM GROMACS Revision 1c8eb7c5: Combine CUDA Leap-Frog, LINCS and SETTLE. I.
This is the first step in combining constraints and integrator
into "UpdateAndConstraints" module. The initial merge ...
03:04 AM GROMACS Revision bdb08288: Bug fix: Constraints tests are not instantiated with CUDA
If the tests initialization macros is called with ValuesIn
function, the container provided should be filled. In the
...

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