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Erik Lindahl

  • Email: erik@kth.se
  • Registered on:
  • Last connection: 03/16/2020

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03/04/2020

10:35 PM GROMACS Task #3297: Require gcc > 5
FYI: Based on discussions on Twitter, the Fujitsu compilers for A64fx/Fugaku are currently based on clang 7.1.0, whic...

03/01/2020

02:05 PM GROMACS Task #3252: Remove support for 32 bit architectures
My first hunch was that it was overly aggressive, but realistically:
* I can't imagine any new CPU architecture ap...
01:59 PM GROMACS Feature #3242: Please do not remove the -nsteps flag
If we take a step back, I strongly agree with Eric's first comment that our reason for wanting to remove it is that i...
01:37 PM GROMACS Bug #3304: Failure in Log Output for Expanded Ensemble Weights using Simulated Tempering in GROMACS 2019.5
Michael, will you look at this?
01:36 PM GROMACS Feature #3298: start early PP work for first dimension of halo exchange
Suggest postponing this to until we have a proper framework to describe dependencies and tasks, rather than adding it...
01:34 PM GROMACS Bug #3292: task assignment report missing GPU update
Although Artem might already have a fix, remember that we also have a clear policy we should ONLY patch actual bugs i...
01:26 PM GROMACS Task #3275: Document Gitlab CI instead of Jenkins and releng
My plan is that we should stick entirely to Gitlab's default docs for the overall infrastructure (which is far better...
01:23 PM GROMACS Task #3279: Provide more advice for building client software
While I see how it could be useful, the problem is that it is yet another addition to our already quite complex build...
01:16 PM GROMACS Feature #3283 (Resolved): Support for the string method with swarms of trajectories in GROMACS
I think this is effectively a duplicate feature of the work on colvar support, so I'll resolve this entry for now to ...
01:11 PM GROMACS Task #3365: consider making GPU bonded work independent from nonbonded
This sounds like something we should enable as part of a larger task-oriented execution framework rather than introdu...

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