Remove duplicate wait with GPU PME and GPU Update
With GPU PME on a separate rank and GPU update, we had duplicate
waitCoordinatesReadyOnHost
in do_force
.
First, we were waiting for X on host before sending X to PME nodes in https://gitlab.com/gromacs/gromacs/-/blob/a125c30d34300506974b2a0202aafaf249681dc4/src/gromacs/mdlib/sim_util.cpp#L1469
Then we did a second wait before a bunch of host tasks: https://gitlab.com/gromacs/gromacs/-/blob/a125c30d34300506974b2a0202aafaf249681dc4/src/gromacs/mdlib/sim_util.cpp#L1812
I also added a new StepWorload
flag to indicate that we have active work on a
separate PME rank this step, to get rid of repeated simulationWork.haveSeparatePmeRank && stepWork.computeSlowForces
.
Refs #3988.