markovmodel/adaptivemd

Cancel a running job without shutting down worker

thempel opened this issue · 0 comments

In some cases, it is necessary to cancel a running job. Right now, this can only be done by shutting down and restarting the worker, which especially in our current 4GPU-worker setup can be a bit annoying.
Most convenient would be a task.cancel()-function. However, it will cause some trouble with depending jobs, e.g. with submitted trajectory extensions. Would it make sense to optionally also delete all depending jobs? Or just a user warning?