- Registered on: 12/08/2017
- Last connection: 03/31/2020
- 11:22 AM GROMACS Task #3445: create heuristic for c_skipNeutralAtoms
- So what is a good set of input to test this on?
We have been using water boxes previously which will not work as t...
- 08:19 AM GROMACS Revision e08e6a6f: Moves call to choose best performaing kernels to pme_gpu_reinit_atoms
- atoms.nAtoms is zero when pme_gpu_reinit is called, resulting in
the useOrderThreadsPerAtom and recalculateSplines al...
- 12:14 PM GROMACS Bug #3398 (New): Intermittent failure of non-bonded kernels when run using nvprof
- Have been seeing some intermittent failures of Gromacs when running with nvprof and its replacement nsight systems.
- 11:58 AM GROMACS Feature #3355: New PME parallel (GPU) scheme
- Ok I have an initial version of this, for a 1D decomposition of the FFT grid.
I think I am missing something from ...
- 04:48 PM GROMACS Bug #3125: OpenCL on Volta and Turing borken
- Szilárd Páll wrote:
> Jon, are you still planning to look into this? If not, I propose that we announce Volta and la...
- 09:01 PM GROMACS Revision d5072ffa: Heuristics for switching between CUDA spread/gather kernels
- The various CUDA spread/gather kernels perform better in different circumstances,
so heuristics are used to control w...
- 11:50 AM GROMACS Task #3212 (New): Update regression tests for new kernel flavours
- We now have 4 potential code paths through the spread and gather. Once the tuning is done they will be automatically ...
- 08:50 PM GROMACS Task #3189: implement heuristics for switching between different spread/gather kernel layouts
- Szilárd Páll wrote:
> Correction: actually, the number of atoms is more relevant, though heuristics might still ...
- 04:27 PM GROMACS Task #3189: implement heuristics for switching between different spread/gather kernel layouts
- Ok did an initial version of this, where we are just keying off the number of atoms https://gerrit.gromacs.org/#/c/gr...
- 09:18 PM GROMACS Task #3188: re-enalble parallel spline calculation for #threads/atoms > 4
- I had a better look at what PME_PARALLEL_SPLINE does and it does 3 things.
Uses 12 threads instead of 3 for the fi...
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