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Alan Gray

  • Registered on: 12/21/2018
  • Last connection: 12/09/2019

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12/04/2019

04:54 PM GROMACS Bug #3226: Regression tests segfault with GPU update and DD
I thought that the GPU update was already disabled for all-bonds cases and only enabled for h-bonds - I didn't realis...
11:57 AM GROMACS Bug #3226: Regression tests segfault with GPU update and DD
I have never been made aware of any reason why the GPU update should not work with DD - I don't know why there is sti...

12/03/2019

09:38 PM GROMACS Bug #3226: Regression tests segfault with GPU update and DD
I’ve traced the failure back to the lincs_cuda kernel: there is a line near the start of the kernel which calculates ...
02:49 PM GROMACS Bug #3226: Regression tests segfault with GPU update and DD
To correct the description, this issue has nothing to do with the development feature flags, but is a bug in the GPU ...

12/02/2019

01:59 PM GROMACS Task #3159: eliminate regression due to moving gmx_pme_send_coordinates()
changing target to 2020-RC1
11:22 AM GROMACS Feature #2816: GPU offload / optimization for update&constraits, buffer ops and multi-gpu communication
Core parts are enabled in 2020, but bumping this parent task to 2021 for follow-up subtasks.
11:20 AM GROMACS Task #3156: move ddUsesGpuDirectCommunication and related conditionals into the workload data structures
Bumping to 2021
11:20 AM GROMACS Task #3159: eliminate regression due to moving gmx_pme_send_coordinates()
Bumping to 2021

11/25/2019

10:25 AM GROMACS Bug #3211: Lincs on GPU can fail due to incorrect assumptions on ordering
>Please make this public, because this fix cannot be tested without it
Done

11/22/2019

03:13 PM GROMACS Task #3208: improve PP-PME tuning
I looked into this a bit more and the main problem with the new code-paths is that we are no longer synchronizing wit...

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