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noelia
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Message 37079 - Posted: 19 Jun 2014 | 17:03:08 UTC

Hi guys!!

There's a new project in the long queue ( NOELIA_THROMBIN ) . It consists of the binding of 6 different inhibitors to the protease thrombin, a protein in the coagulation cascade. With these, we are trying to demonstrate that molecular simulations can be as useful as X-Ray crystallography predicting binding modes.

Thanks to all,

P.D: Report any problems please!

Noelia

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Message 37081 - Posted: 20 Jun 2014 | 4:16:58 UTC - in response to Message 37079.

Just completed my first of these WUs. Looks like we need a wingman to validate. I don't think I've seen that before on GPUGrid.

Jacob Klein
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Message 37082 - Posted: 20 Jun 2014 | 5:13:43 UTC - in response to Message 37081.
Last modified: 20 Jun 2014 | 5:14:06 UTC

Noelia, is minimum quorum of 2, expected?

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Message 37085 - Posted: 20 Jun 2014 | 9:39:03 UTC - in response to Message 37082.

No, it's a bug. Thanks

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Message 37093 - Posted: 20 Jun 2014 | 14:21:23 UTC

Is it possible to cancel any workunits that have not been started, and then re-issue them with the correct minimum quorum? I would think we'd want to do that, instead of "unnecessarily doubling the work" on them.

Possible?

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Message 37110 - Posted: 21 Jun 2014 | 14:30:46 UTC

Hello !

Have the same problem with NOELIA's loaded today.

http://www.gpugrid.net/workunit.php?wuid=9814392

Kind Regards

Phil1966

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Message 37127 - Posted: 23 Jun 2014 | 2:26:03 UTC

My current work unit 9814687 appears to have reached the 86.660% mark, and then stopped updating Progress. This is second Long queue list process on this particular machine, so I'm growing a bit concerned about operation of a new GPU.

Hopefully this will successfully conclude overnight.

John C MacAlister
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Message 37128 - Posted: 23 Jun 2014 | 2:47:53 UTC
Last modified: 23 Jun 2014 | 2:49:17 UTC

My completed WU 9814776 awaits validation.....

2718752 158482 22 Jun 2014 | 1:07:50 UTC 23 Jun 2014 | 0:08:50 UTC Completed, waiting for validation 76,220.18 7,796.85 pending Long runs (8-12 hours on fastest card) v8.41 (cuda60)

Localizer
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Message 37129 - Posted: 23 Jun 2014 | 6:33:22 UTC

I've got 8 completed WU waiting for wingmen - including some reported this morning - can we at least have the quorum issue addressed for newly issued WUs?

Thanks.

Bedrich Hajek
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Message 37130 - Posted: 23 Jun 2014 | 11:02:39 UTC

Right now, I have 8 WU's pending as well. I wonder if this will effect the 24 hour bonus?



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Message 37131 - Posted: 23 Jun 2014 | 11:54:48 UTC - in response to Message 37130.

................. Doesn't seem to have affected the 24Hr bonus for the three of mine which have cleared this morning.

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Message 37133 - Posted: 23 Jun 2014 | 14:09:41 UTC

Hi guys,

There was a bug for some unexpected reason in this batch and we apologize. As you were having problems validating i've cancelled those WUs that still were unsent and resend them -THROMBIN1-. Those which were running can still be completed and you won't lose any credit. Theoretically minimum quorum should be now 1, but please report if you notice any problem.

Noelia

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Message 37135 - Posted: 23 Jun 2014 | 14:47:36 UTC - in response to Message 37133.


Thanks!

Hi guys,

There was a bug for some unexpected reason in this batch and we apologize. As you were having problems validating i've cancelled those WUs that still were unsent and resend them -THROMBIN1-. Those which were running can still be completed and you won't lose any credit. Theoretically minimum quorum should be now 1, but please report if you notice any problem.

Noelia

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Message 37136 - Posted: 23 Jun 2014 | 18:39:28 UTC

¡Muchas gracias, Noelia!!

Fred Bayliss
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Message 37158 - Posted: 26 Jun 2014 | 18:37:47 UTC

I have one pending 5x4x11-NOELIA_THROMBIN-0-3-RND3709_1 three days now.

Thanks
____________

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Message 37161 - Posted: 27 Jun 2014 | 2:24:29 UTC - in response to Message 37158.

I have one pending 5x4x11-NOELIA_THROMBIN-0-3-RND3709_1 three days now.

Thanks


Right now, I have 3 of these units, still pending. Are we going to get credit for them?

12719534 9815152 30790 22 Jun 2014 | 18:41:17 UTC 23 Jun 2014 | 6:03:41 UTC Completed, waiting for validation 35,960.38 32,225.39 pending Long runs (8-12 hours on fastest card) v8.41 (cuda42)
12719141 9814960 127986 22 Jun 2014 | 9:45:41 UTC 22 Jun 2014 | 21:04:36 UTC Completed, waiting for validation 35,230.43 33,356.70 pending Long runs (8-12 hours on fastest card) v8.41 (cuda60)
12719083 9814930 30790 22 Jun 2014 | 8:56:28 UTC 22 Jun 2014 | 20:47:01 UTC Completed, waiting for validation 34,724.53 32,016.94 pending Long runs (8-12 hours on fastest card) v8.41 (cuda42)



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Message 37170 - Posted: 28 Jun 2014 | 3:26:18 UTC

I also have a pending workunit that was completed last weekend:
http://www.gpugrid.net/workunit.php?wuid=9814420

Thanks!

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Message 37171 - Posted: 28 Jun 2014 | 3:59:59 UTC

I have 1 WU pending as well: http://www.gpugrid.net/workunit.php?wuid=9814831

Thanks!

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Message 37191 - Posted: 30 Jun 2014 | 19:44:29 UTC - in response to Message 37171.
Last modified: 30 Jun 2014 | 19:46:15 UTC

Most pending WUs should be fixed. :)

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Message 37347 - Posted: 22 Jul 2014 | 11:23:09 UTC

I am reviving these as SDOERR_THROMBIN to test a faster sampling strategy on them.

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Message 38637 - Posted: 22 Oct 2014 | 16:30:14 UTC

I just finished what looks to be another resurrection of these WUs ...
http://www.gpugrid.net/workunit.php?wuid=10200072

Process ran without issue but the points are very low ... 22k seconds on a 670 should be about 110k but it only grants 54k.
____________
Thanks - Steve

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Message 38639 - Posted: 23 Oct 2014 | 8:01:24 UTC - in response to Message 38637.
Last modified: 23 Oct 2014 | 8:02:06 UTC

Oh damn... you are right. I updated the credits for the next batch. Really sorry for this.
Thanks for bringing it to my attention.

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Message boards : News : WU: THROMBIN