PP-PME load balancing improvements
authorSzilárd Páll <pall.szilard@gmail.com>
Fri, 29 Nov 2019 00:10:10 +0000 (01:10 +0100)
committerPaul Bauer <paul.bauer.q@gmail.com>
Thu, 19 Dec 2019 17:02:38 +0000 (18:02 +0100)
commit0bd020f30cf52119affacfe712a5ffc1b178a517
treee4f20f0d045aa5c3b6909a1c1cf3785e89df2275
parent0a24ff2fa9bb7b0930867034d5b4e7fb86afe98f
PP-PME load balancing improvements

Add a minimum number of nstlist tuning intervals and minimum time delay
at the beginning of the run before the load balancing starts. This allow
hardware clocks to ramp up and avoids having early measurements
overestimate rendering subsequent ones with different grid setups only
faster due to hardware warmup.
Also use global variables to adjust the number of measurements to be
skipped after switching configs.

Refs  #3208
Fixes #2203

Change-Id: If835d2482e127caa51d50f45f25c19144d35efaa
docs/release-notes/2020/major/performance.rst
src/gromacs/ewald/pme_load_balancing.cpp
src/gromacs/ewald/pme_load_balancing.h
src/gromacs/mdrun/md.cpp
src/gromacs/modularsimulator/pmeloadbalancehelper.cpp