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Szilárd Páll

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01/27/2020

04:43 PM GROMACS Bug #3125: OpenCL on Volta and Turing borken
Jon, are you still planning to look into this? If not, I propose that we announce Volta and later as broken in the "...
01:43 PM GROMACS Bug #3335 (Closed): mdrun can deadlock with multiple ranks and separate PME ranks

01/24/2020

08:37 PM GROMACS Revision 4f1c4548: Add target for offline PME OpenCL compilation
Also fix clang-tidy warnings in the PME OpenCL kernels; tested with
clang-tidy 8.0 and 9.0.
Target will be triggered ...
04:45 PM GROMACS Bug #3335 (Resolved): mdrun can deadlock with multiple ranks and separate PME ranks
Applied in changeset commit:133c12ee12284879ed75c910de3887bbc3dab68f.
04:39 PM GROMACS Revision 133c12ee: Fix deadlock in PP-PME balancing startup delay
The condition whether load balancing should start included a per-rank
computed fixed time-delay. Therefore different ...
11:38 AM GROMACS Bug #3354: release-2020 nightly gpuupdte matrix failing
Artem Zhmurov wrote:
> Assertions in md.cpp went out of sync with the task assignment. Should be an easy fix.
>
>...

01/23/2020

05:50 PM GROMACS Bug #3336: DD error can't be avoided with the suggested manual decomposition option
Berk Hess wrote:
> Applied in changeset commit:b4bf4c088ec42d73fb9fa7a3412c3ef294e361f0.
By the way, @Berk: we di...
05:17 PM GROMACS Bug #3354: release-2020 nightly gpuupdte matrix failing
Also noticed that the gpuupdate matrix enables a bunch of unnecessary dev features:...
05:16 PM GROMACS Bug #3354 (New): release-2020 nightly gpuupdte matrix failing
Runs fail with the following assertion:...
03:58 PM GROMACS Bug #3334: Check for DD when increasing rlist is broken
Berk Hess wrote:
> I wonder if this is really an issue.
> Now rlist might limit the domain decomposition, whereas b...

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