Make `safe_interval` more dynamic for quick transport tasks

[GeigerJ2]

As realized together with @giovannipizzi while debugging things for our new cluster at PSI: When submitting a simple calculation (execution takes about 10s) for testing purposes, with the default safe_interval=30 in the Computer configuration, one has to wait an additional 90s until the job is done (30s for the upload, submit, and retrieve tasks, each). This is to be expected, of course, and one could just reduce the safe_interval (albeit increasing the risk of SSH overloads).

However, the upload task in that case is truly the first Transport task that is being executed by the daemon worker, so it could, in principle, enter immediately (the same if jobs were run previously, but longer ago than the safe_interval). I locally implemented a first version (thanks to @giovannipizzi's input) that does this, by adding a last_close_time attribute (currently added to the authinfo metadata for a first PoC). In the request_transport method of the TransportQueue, the time difference between the current time and the last_close_time is then checked, and if it is larger than safe_interval, the Transport is opened immediately via:

open_callback_handle = self._loop.call_later(0, do_open, context=contextvars.Context())  # or use 1 for safety?

bypassing the safe_interval (or safe_open_interval as it is called in transports.py).

In addition, the waiting times for the submit and retrieve tasks could also be reduced. It seems like currently, the safe_interval is imposed on all of them, even if they finish very quickly (I assume as all open a transport connection via SSH). So we were thinking if it's possible to make this a bit more sophisticated, e.g. by adding special transport requests, that could make use of the open transport, and keep a transport of which the task has finished open for a short time longer (also quickly discussed with @mbercx). Of course, one would still need to make sure SSH doesn't get overloaded, the implementation works with heavy loads (not just individual testing calculations), and one would also have to consider how this all works with multiple daemon workers. Again with @giovannipizzi, I had a quick look, but it seems like the implementation would be a bit more involved. So wondering what the others think, if this is feasible and worth investigating more time into. Pinging @khsrali who has looked a bit more into transports.

[giovannipizzi]

Thanks for the nice write-up @GeigerJ2 ! Just some minor additional comments/clarifications

• actually even for a millisecond run, the time to wait is 120s (or generally 4 times the safe interval), rather than 3x (90s):

  • [30s] initial wait to upload
  • [30s] time to wait to submit
  • [30s] time for the first check of the queue (that, for jobs do not get queued, running immediately and run for < 30s, would already return that the job finished)
  • [30s] to retrieve the calculations and set the calculation as finished

  (and I guess one adds another 30s if there is also stashing involved)

• The initial implementation keeps the time in the metadata of the authinfo, but already while discussing with Julian, we realized it's better not to put it there, as this is shared by all daemon workers, and could lead to wrong results, collisions and exceptions when multiple write the same DB row, etc. - better to just keep in another local attribute self.last_close_time, parallel to self._transport_requests. On the other hand, I just realize that if you are running from a local interpreter, and maybe submitting run() from a bash "for" loop (e.g. of verdi run commands), this might bypass the limit as all of them will think that nothing was submitted before. But probably this is OK with the current implementation? Fixing it properly would require making the whole concept of a safe_interval not specific to a worker, but global to a AiiDA profile.

• In the implementation discussed above, in addition to setting the first parameter of call_later to zero if more than safe_interval seconds passed from the last call, I would also set the waiting time to the difference current_time - last_close_time, so e.g. you only wait 10 seconds if you closed the transport 20 seconds ago.

• The points above solve the waiting of the first 30 seconds. For the other 3x30 seconds, the idea is that probably in this case the connection was just closed less than a second before, i.e. the time for AiiDA to change state. If we could keep the connection open for a configurable time after the last command (say with a default of 5 or 10 seconds), a full single submission could go down to probably just < 5 seconds, rather than 120s as now. However, I am not 100% sure of how to do this properly. My idea was that, when we get here: https://github.com/aiidateam/aiida-core/blob/d73731f428b031ad4b9f68a4af2a008adc9b3290/src/aiida/engine/transports.py#L119-L120 we actually inject another task of 5-10 seconds, and somehow mark that the last task is of this special type "last_wait=True". As soon as any task is executed, this instead sets "last_wait=False". When the special last_wait task finishes (5-10 seconds later), does nothing if in the meantime "last_wait" was set to False, otherwise performs the closing operations transport_request.future.result().close(). However, while thinking at how to implement it, I wasn't sure how to do it correctly, as we want to return from the request_transport immediately, and not wait for these 5-10 seconds, otherwise the whole task is blocked and we didn't solve the problem we just made the process wait even 5-10 seconds more :-) Suggestions welcome (pinging also @sphuber)

[khsrali]

So regarding this, I did a test to see how critically this issue impacts our performance.

I configured a computer with core.ssh as a transport plugin and core.direct as scheduler (ssh to my own machine). I then submitted 225 simple jobs. Each job does an arithmetic add and make 4 files, each 1KB in size. Finally, recorded the frequency of calls to a number of important functions and methods in core.ssh and BashCliScheduler.

First, safe_interval is set to 30 seconds. In this case, it takes 7 minutes to execute everything. During this time, transport.open() was called 8 times.

now, I set safe_interval to 0.1 seconds. Now, it takes 4 minutes and 28 seconds. During this time, transport.open() was called 7 times.

Since transport.open() was called only a few times, I think we may not need to further change the design, although there might be some improvement, but the benefit relative to the effort seems minor.

Note 1: In longer job scenarios, this volume of requests tends to be spread out over time. As a result, transport.open() may be called many more times perhaps. But I don't believe that would change the conclusion of this comment. Note 2: If something worth investigating is the two long gaps in the second plot, which theoretically should not be there! In any case, that is certainly not related to safe_interval.