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Szilárd Páll

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12/14/2018

11:45 AM GROMACS Task #2685 (Resolved): tweak jenkins post-submit test to use ARMPL for FFTs
Applied in changeset commit:529c45b3387160cf886458a6b42c75bb861de853.
11:36 AM GROMACS Revision 529c45b3: Enable ARMPL in the armclang build
Fixes #2685
Change-Id: I1827c1c55e533bd7ff82b452d77143cb6d04cc01

12/13/2018

04:54 PM GROMACS Revision ed89b829: Avoid spurious timing in bonded GPU launch subcounter
Change-Id: I09d9e6bf1b61b9578b0a39b7e0d21ac63f865057
04:35 PM GROMACS Bug #2788: PME will not run on AMD GPU with NVidia GPU present
Affected version must be 2019-beta3, right? I suggest we target this for final 2019.
11:30 AM GROMACS Bug #2726 (Resolved): FP exception in cufft 7.0
Applied in changeset commit:c47fc09c3a782b0934408b792e963b57b676e744.
11:17 AM GROMACS Revision c47fc09c: Document the FP exception in cuFFT 7.0
To document known issues relevant for developers, a new section is added
to the dev guide.
As a a first entry, this c...

12/12/2018

07:48 PM GROMACS Bug #2807 (New): single-rank run reports intra simulation communication
The log file contains the following message:
While the run is a single-rank run so there is no communication at all.
05:52 PM GROMACS Feature #2806 (New): SIMD algorithms for ARM SVE // nobnonded cluster and otheres
The ARM SVE instruction set presents both challenges and opportunities for expressing the nonbonded algorithm. To tac...
04:23 PM GROMACS Bug #2801: MdrunTests segfault with intel compilers+mpi and AVX_512
Indeed, it might be a compiler bug.
Can you try a couple of things:
- try -O2, -O1, and -O0 to see whether the cr...
04:18 PM GROMACS Bug #2803: segmentation fault in LINCS
Berk Hess wrote:
> ms is only used during LINCS warnings. You don't get those more often, or do you?
NO, I've nev...

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