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Artem Zhmurov

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08/16/2019

11:29 AM GROMACS Revision 039709b7: Prepare Update and Constraints for Domain Decomposition
Initial GPU-based version of the update and constraints was not
designed to run with the Domain decomposition. This i...
11:29 AM GROMACS Revision 3d35e919: Remove PImpl scaffolding from CUDA version of Leap-Frog
Private implementation in CUDA version of Leap-Frog was
used to introduce this integrator as a stand-alone unit.
Now ...
11:29 AM GROMACS Revision 1fbaf8ff: Remove PImpl scaffolding from CUDA version of SETTLE
GPU version of SETTLE was implemented as a class with private
implementation so it will be possible to initialize on
...

08/14/2019

10:15 AM GROMACS Revision 81bcef29: BugFix: Zeroing the padded area of coordinates vectors in LeapFrog tests
The reserveWithPadding does not put zeros to the vectors. In some cases
this lead to some residue data in padded area...

08/13/2019

04:14 PM GROMACS Revision a80b9cef: Make use of reference data in integrator tests
Current version of tests is based on exactly solvable model,
which does not allow for testing more sophisticated case...
04:13 PM GROMACS Revision 7bd1c817: Make use of reference data in SETTLE tests
As a temporary measure, the CPU and GPU versions of SETTLE
were tested agains each other. Making use of the reference...

08/09/2019

07:59 PM GROMACS Revision 0cd72f2b: Prepare Update and Constraints for Domain Decomposition
Initial GPU-based version of the update and constraints was not
designed to run with the Domain decomposition. This i...
05:35 PM GROMACS Revision d1f2302e: Refactoring of the SETTLE tests
Current version of tests for CUDA version of SETTLE was a quick
addition to the old tests, with direct comparison of ...

08/08/2019

11:13 AM GROMACS Revision b1be1e72: Refactor Leap-Frog tests and connect them to CPU version
This introduces test data object and runners to the Leap-Frog
tests, which are now connected to the CPU version of Le...

08/06/2019

05:12 PM GROMACS Revision 309d0598: Fix for cmake lists in mdlib tests
Merged change 11284 included badly merged cmake list, which can
break cmake. This fixes the problem.
Change-Id: Id01...

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