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Artem Zhmurov

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01/24/2020

12:02 PM GROMACS Bug #3354: release-2020 nightly gpuupdte matrix failing
Szilárd Páll wrote:
> Artem Zhmurov wrote:
> > Assertions in md.cpp went out of sync with the task assignment. Shou...
11:47 AM GROMACS Task #3312: Data type for coordinates, xyzq data, LJ parameters data to use for GPU buffers
If there are no strong arguments against, I suggest we go with Solution 2 (see e.g. https://gerrit.gromacs.org/#/c/gr...
09:48 AM GROMACS Bug #3354: release-2020 nightly gpuupdte matrix failing
Assertions in md.cpp went out of sync with the task assignment. Should be an easy fix.
We had a solid reason to en...

01/23/2020

02:27 PM GROMACS Revision 0f446759: Fix a couple of commas in cool quotes
A couple of commas between the quotes and their authors went missing.
Due to a random nature of cool quotes, I am not...
11:50 AM GROMACS Feature #3352 (New): GPU update-constraints feature support
11:49 AM GROMACS Feature #3351 (New): GPU update-constraints code organization and integration
11:49 AM GROMACS Feature #3350 (New): GPU update-constraints performance
11:48 AM GROMACS Task #3349 (Closed): GPU update-constraints: Unify the PBC management.
11:44 AM GROMACS Task #3349 (Closed): GPU update-constraints: Unify the PBC management.
LINCS, SETTLE and Leap-Frog all use similar routines to manage the PBC data. Should be unified.
11:42 AM GROMACS Task #3348 (New): GPU LINCS and SETTLE: unify virial reduction

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