GitLab

Use a small kernel for copying interactionCounts to host memory

    hipMemcpy's CopyDeviceToHost operation has higher latency.

Do not set stream and event blocking/spin related flags

    Let the runtime choose the best option because overriding does not
    improve performance in most cases.

Remove NULL streams and use nonblocking streams explicitly

Make HipContext::pushAsCurrent/popAsCurrent thread-safe as they can be
called simultaneously from different threads via ContextSelector.

Allow peer access to be enabled more than once (if there are multiple
simulations one after another, like in benchmark.py).

Create peerCopyStream on a corresponding device

Use two-speed load balancing for multi GPU runs

    First 100 steps do coarse balancing, next 100 - fine tuning.
    Also ignore the slowest device (usually 0) if its fraction has
    reached 0, (i.e. no work can be transfered to other devices) and
    balance other devices.

Do not download inteactionCounts in parallel nonbonded tasks

    This is not required because updateNeighborListSize has been called
    and valid flag changed.

Initialize tilesAfterReorder properly

    It may contain a garbage value, and if it is large then
    updateNeighborListSize does not force reorder atoms after 25 steps
    in extremal cases.