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- 02:52 PM GROMACS Task #2490 (New): evaluate two-step communicators
- We should-reevaluate whether/when do we need the two-step communicators implemented in mdrun (separate intra-/inter-n...
- 02:40 PM GROMACS Task #2304: Document and propose tracking mdrun heuristics
- + c_pullMaxNumLocalAtomsSingleThreaded in pull_internal.h (currently tuned with/for Haswell / gcc 5).
- 02:28 PM GROMACS Task #2488: use MPI non-blocking collectives to overlap pull comm
- Having looked at the code, we will need to split @pull_calc_coms()@ and start the non-blocking collective early, prob...
- 02:00 PM GROMACS Task #2488 (New): use MPI non-blocking collectives to overlap pull comm
- MPI non-blockign collectives should allow overlapping the costly collective COM pull communication with compute and i...
- 11:13 AM GROMACS Revision 1f866cc5: Fix icc warning in post-submit
- icc refuses to understand GMX_UNUSED_VALUE.
- 04:12 PM GROMACS Revision 4960eede: Add post-submit with ARM HPC Toolchain
- Using gcc-7 and armclang-18.2.
- 04:12 PM GROMACS Revision 49ca05c7: Tweak PME run mode checks
- These should allow compile-time evaluation when mdrun is compiled with
As the CPU-only build can now op...
- 02:49 PM GROMACS Revision ac331ffd: Minor fix for pre-submit matrix docs
- Fixed comment to avoid confusion as CMake 3.8 did not introduce any new
CUDA feature that we actually do use (and can...
- 02:07 PM GROMACS Bug #2470: memory leak in OpenCL runs with
- Aleksei Iupinov wrote:
> So I did a 1 rank/16 threads run of NB OpenCL, 96k water box on dev-haswell-gpu01 (with AMD...
- 11:37 AM GROMACS Revision 6543a8dd: Move the PME GPU clearing to the end of the step
- This places the call to the end of the force-compute next to the nbnxn
output clearing also fixing the cycle counting...
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