Add separate PME rank SimluationWorkload flags
authorSzilárd Páll <pall.szilard@gmail.com>
Thu, 19 Aug 2021 13:16:27 +0000 (13:16 +0000)
committerAndrey Alekseenko <al42and@gmail.com>
Thu, 19 Aug 2021 13:16:27 +0000 (13:16 +0000)
commitd41b5ee390b9bf44a68e7d038cc38d8c5a263996
tree61bfb2e16c1074cc91e040c72aabfdb5d9496c69
parentede630131375cdc36a2a4edd3a091a4630e84584
Add separate PME rank SimluationWorkload flags

Added the complete set of flags that indicate whether separate PME ranks
are used and what type of PP-PME communication is used.

These flags allow simplifications in the force schedule as well as reducing
the use of the confusingly defined cr->duty for now in do_force().

The additional benefit is a reduced reliance on passing around commrec
for checks related to parallelization.

Refs #3913
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/mdtypes/simulation_workload.h
src/gromacs/taskassignment/decidesimulationworkload.cpp
src/gromacs/taskassignment/decidesimulationworkload.h