WU: OPM995 simulations

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Message 43727 - Posted: 5 Jun 2016, 20:11:34 UTC - in response to Message 43725.  

This workunit is very interesting, as the initial replication was 2, the other host which received this workunit also received the +50% bonus, while it has returned it after 1d 14h.

AFAIK that's the way it's always worked here. The first reported WU sets the credit for everyone.
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Message 43728 - Posted: 5 Jun 2016, 20:15:08 UTC - in response to Message 43704.  

Finally got an OPM on my Ubuntu 16.04 rig. Alas it didn't turn out to be an extra-long run and completed in 12h 35min at stock.
Based on the run time of other long WU's the credit is about half what it should be.

Had 4 OPMs finish today. The credit on all of them is 1/2 or less per hour compared to any other long WUs. Guess the credit wasn't fixed after all.
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Message 43729 - Posted: 5 Jun 2016, 20:30:58 UTC - in response to Message 43728.  
Last modified: 5 Jun 2016, 20:36:10 UTC

Got 2 real extra-long tasks on my Win10 system and one 'fake' extra-long task on my Linux system. The real extra-long tasks got 900K Boinc credits whereas the normal-long task only received 147K credits (or there about).
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Message 43730 - Posted: 5 Jun 2016, 20:33:19 UTC - in response to Message 43729.  
Last modified: 5 Jun 2016, 20:34:08 UTC

I got 2 really long tasks on my Win10 system and one fake long task on my Linux system. The real long tasks got |900K Boinc credits whereas the not-really-long task (normal-ling) only received 147K credits (or there about).

Remedial math is a good post graduate course... ;-)
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Message 43731 - Posted: 5 Jun 2016, 20:37:01 UTC - in response to Message 43730.  
Last modified: 5 Jun 2016, 20:46:09 UTC

Just after correcting my remedial English :)

PS. Looks like it's backup-project time again 🕒
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Message 43733 - Posted: 5 Jun 2016, 20:59:45 UTC - in response to Message 43731.  

Just after correcting my remedial English :)

PS. Looks like it's backup-project time again 🕒

I don't think it's you that needs the remedial math, and yep it's that time again.
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Message 43745 - Posted: 7 Jun 2016, 10:04:03 UTC

Really, I am out of ideas on how to fix the credits any further. I did everything I could imagine being wrong. I could blindly multiply the credits by whatever factor you guys tell me, but right now I have to base it off our usual credit calculation script.
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Message 43749 - Posted: 8 Jun 2016, 18:36:19 UTC - in response to Message 43745.  

Really, I am out of ideas on how to fix the credits any further. I did everything I could imagine being wrong. I could blindly multiply the credits by whatever factor you guys tell me, but right now I have to base it off our usual credit calculation script.

Recent comparisons, OPM vs. CXCL12VOLK. Example from one of my machines:

1gzmR0-SDOERR_opm995-0-1-RND1802_0 11614349 3 Jun 2016 | 6:36:43 UTC 5 Jun 2016 | 9:02:02 UTC Completed and validated 162,200.44 47,231.66 237,804.00

e6s24_e1s9p0f524-GERARD_CXCL12VOLK_15782120_2-0-1-RND1978_0 11613059 28 May 2016 | 21:23:31 UTC 30 May 2016 | 4:49:33 UTC Completed and validated 96,473.03 31,352.66 233,875.00

Here's another one of my computers. This WU had 131548 Natoms:

2w61-SDOERR_opm994-0-1-RND7728_0 11616211 2 Jun 2016 | 17:30:20 UTC 5 Jun 2016 | 18:09:42 UTC Completed and validated 243,192.27 35,757.08 262,409.00

e4s9_e1s18p0f473-GERARD_CXCL12VOLK_15782120_2-0-1-RND7513_1 11609049 1 Jun 2016 | 14:32:18 UTC 2 Jun 2016 | 22:47:34 UTC Completed and validated 98,520.08 29,575.68 233,875.00

From the OPM WUs I've been running lately it seems that the credit is about 45% - 60% per hour compared to other/previous long WUs. On top of that there is a greater chance of failure with these long WUs. I would suggest erroring on the high side rather than the low side when estimating credit as it costs you nothing and it's one of the few tokens of appreciation that we receive for our small contribution to the great science that you guys are doing. Whining aside, keep up the excellent work. For a lot of us this is a small way that we can contribute to science.



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Message 43777 - Posted: 14 Jun 2016, 12:29:45 UTC
Last modified: 14 Jun 2016, 13:59:24 UTC

I thought you guys might appreciate seeing what can go wrong in a simulation ;) I always love these mistakes. Still, only 1 out of 600+ systems managed to break like this so I'm quite impressed.

http://imgur.com/qcvaMyq

Essentially because of some water between the protein and the lower membrane layer (whose upper side is hydrophobic, hence hates water), the membrane starts bending and when it bends it suddenly interacts with the periodic image* of the protein and decides that it likes it more than staying with the other membrane layer. And then it goes pop :D


* MD simulations are typically done using periodic interactions
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Message 43778 - Posted: 14 Jun 2016, 14:25:28 UTC - in response to Message 43777.  

Cool animation, Stefan! Thanks for sharing! :)
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