Is this WU too large?

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Is this WU too large?

Postby Adak » Wed Feb 29, 2012 11:16 am

Seems a bit over-sized perhaps:

Code: Select all
[06:10:12] Project: 10720 (Run 0, Clone 12420, Gen 45)
[06:10:12]
[06:10:12] Entering M.D.
[06:10:18] Using Gromacs checkpoints
[06:10:18] Mapping NT from 4 to 4
[06:10:18] Resuming from checkpoint
[06:10:18] Verified work/wudata_01.log
[06:10:18] Verified work/wudata_01.trr
[06:10:18] Verified work/wudata_01.xtc
[06:10:18] Verified work/wudata_01.edr
[06:10:18] Completed 659399 out of 7000000 steps  (9%)



Is there an upward size limit to the number of steps for regular SMP wu's?
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Re: Is this WU too large?

Postby MtM » Wed Feb 29, 2012 11:59 am

Code: Select all
15:25:38:Unit 02:Completed 7000001 out of 7000001 steps  (100%)
<>
06:32:59:Unit 01:Completed 7000000 out of 7000000 steps  (100%)
<>
815:25:38:Unit 02:Completed 7000001 out of 7000001 steps  (100%)
<>
21:33:13:Unit 01:Completed 7000000 out of 7000000 steps  (100%)


Nope seems about right ( above is a list of some of my 10720's )
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Re: Is this WU too large?

Postby ChasR » Wed Feb 29, 2012 12:42 pm

I'd guess its a relatively small WU (5254 atoms) simulated for a longer period of time, hence more steps, but that's a coffeeless guess.
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Re: Is this WU too large?

Postby 7im » Thu Mar 01, 2012 7:06 pm

Adak wrote:Is there an upward size limit to the number of steps for regular SMP wu's?



Not really, no.

Stepping 1 to 100, by 1's comes out the same as counting to 1 million by 10 thousands, still 100 steps. IIRC, it's as ChasR said, just longer (more course) time jumps for each frame.
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Re: Is this WU too large?

Postby Adak » Fri Mar 02, 2012 1:33 pm

Thanks, I didn't know the wu's had gone up that far in regular smp.
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Re: Is this WU too large?

Postby bruce » Fri Mar 02, 2012 2:35 pm

The concept of "too large" is a bit slippery. 7000000 steps with a protein containing 5254 isn't even close to a similar number of steps for a protein containing, say, 12098 atoms. The larger protein will probably take 5x as long per step as the smaller one and will certainly require more RAM, other things being equal. That's the reason each project has to be benchmarked and receives an assigned number of points.
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