Max CPU Time

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Profile Jack Shultz
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Message 475 - Posted: 28 May 2009, 15:15:09 UTC
Last modified: 28 May 2009, 15:21:20 UTC

I would like to ask what you consider max CPU time should be for any workunit? Let me explain why.

We would like to model 10 nano seconds of MD for our Ligand-protein molecular dynamics. The last few sucessful runs demonstrated that 10 pico seconds (3 orders of magnitude smaller) take between 0.5-1.5 CPU hours depending on processing power. Don't ask me about wall time.

So with some very rough estimation, we can say on average 10 ps is 1 hour or 3600 seconds. If we raise cpu time two orders of magnitude to 360,000 CPU seconds we get 1 nanosecond of simulation. We could have these runs broken down to 10 intervals of 1 nanosecond to get 10 nanoseconds of simulation. This will take a little over 4 days to run a given 1 nanosecond interval.

So in summary is 4 days too long? Let me know your opinion on this.
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Profile m4rtyn
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Message 480 - Posted: 28 May 2009, 16:22:45 UTC - in response to Message 475.  

is 4 days too long? Let me know your opinion on this.


I've never been a great fan of very long wu's so my opinion may be a bit biased. As you mentioned elsewhere the current wu's are producing very large result files,(Approx 30-40 mins 60Mb) would longer wu's produce correspondingly larger results. Also worth considering is the fact that their have been a fair number of wu's erroring out, and some of these have been quite close to the end. No big deal after 2 or 3 thousand seconds but after 3 or 4 days, now thats a completely different thing!.Finally it would probably make the use of some of the slower computers impractical.
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Profile Tim Turner
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Message 481 - Posted: 28 May 2009, 16:44:42 UTC - in response to Message 480.  
Last modified: 28 May 2009, 16:51:16 UTC

hmmm....to me it depends on the what type of cpu. my older p 4, and p M would take 6 days with 4 day wu's.

4 days would be alright just as long as the credit is right.

although, I like what vtu@home does with their wu's. where they are always short wu's. Makes for a lot of work but it makes for lots of work to go around. VTU has tons of work and it makes for a reliable project. The only question is, can the server handle that many wu's.

how much would 10 hr wu's be?

sry, pico and such gives me little reference... i fell asleep in Mrs. Spenard's science classes(with eye's open.)


Oh, lets make sure that the units checkpoint too... we don't want to end up like ufluids....

i say look around, I like aqua's and vtu's ways.....for wu's. vtu = short... aqua = about 48 hrs.

(Note, all times in this post are wall time.)
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Message 487 - Posted: 28 May 2009, 19:14:37 UTC

I've just noticed I'm starting to get a lot of "completed but can't validate results, after 30mins to an hour thats a bit annoying but after 4 days that would be a certain meltdown.
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Profile Jack Shultz
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Message 488 - Posted: 28 May 2009, 19:22:55 UTC - in response to Message 487.  

you should get credits soon.
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Message boards : Number crunching : Max CPU Time


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