WU: THROMBIN

Message boards : News : WU: THROMBIN
Message board moderation

To post messages, you must log in.

1 · 2 · Next

AuthorMessage
noelia

Send message
Joined: 5 Jul 12
Posts: 35
Credit: 393,375
RAC: 0
Level

Scientific publications
wat
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
ID: 37079 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
Matt
Avatar

Send message
Joined: 11 Jan 13
Posts: 216
Credit: 846,538,252
RAC: 0
Level
Glu
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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.
ID: 37081 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
Jacob Klein

Send message
Joined: 11 Oct 08
Posts: 1127
Credit: 1,901,927,545
RAC: 0
Level
His
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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?
ID: 37082 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
Toni
Volunteer moderator
Project administrator
Project developer
Project tester
Project scientist

Send message
Joined: 9 Dec 08
Posts: 1006
Credit: 5,068,599
RAC: 0
Level
Ser
Scientific publications
watwatwatwat
Message 37085 - Posted: 20 Jun 2014, 9:39:03 UTC - in response to Message 37082.  

No, it's a bug. Thanks
ID: 37085 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
Jacob Klein

Send message
Joined: 11 Oct 08
Posts: 1127
Credit: 1,901,927,545
RAC: 0
Level
His
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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?
ID: 37093 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
Profile [AF>Amis des Lapins] Phil1966

Send message
Joined: 16 Jul 13
Posts: 56
Credit: 1,626,354,890
RAC: 0
Level
His
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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
ID: 37110 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
mhhall

Send message
Joined: 21 Mar 10
Posts: 23
Credit: 861,667,631
RAC: 0
Level
Glu
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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.
ID: 37127 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
John C MacAlister

Send message
Joined: 17 Feb 13
Posts: 181
Credit: 144,871,276
RAC: 0
Level
Cys
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwat
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)
ID: 37128 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
localizer

Send message
Joined: 17 Apr 08
Posts: 113
Credit: 1,656,514,857
RAC: 0
Level
His
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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.
ID: 37129 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
Bedrich Hajek

Send message
Joined: 28 Mar 09
Posts: 490
Credit: 11,731,645,728
RAC: 52,725
Level
Trp
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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?



ID: 37130 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
localizer

Send message
Joined: 17 Apr 08
Posts: 113
Credit: 1,656,514,857
RAC: 0
Level
His
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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.
ID: 37131 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
noelia

Send message
Joined: 5 Jul 12
Posts: 35
Credit: 393,375
RAC: 0
Level

Scientific publications
wat
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
ID: 37133 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
localizer

Send message
Joined: 17 Apr 08
Posts: 113
Credit: 1,656,514,857
RAC: 0
Level
His
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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

ID: 37135 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
John C MacAlister

Send message
Joined: 17 Feb 13
Posts: 181
Credit: 144,871,276
RAC: 0
Level
Cys
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwat
Message 37136 - Posted: 23 Jun 2014, 18:39:28 UTC

¡Muchas gracias, Noelia!!
ID: 37136 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
Fred Bayliss

Send message
Joined: 27 May 11
Posts: 9
Credit: 255,985,614
RAC: 0
Level
Asn
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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
ID: 37158 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
Bedrich Hajek

Send message
Joined: 28 Mar 09
Posts: 490
Credit: 11,731,645,728
RAC: 52,725
Level
Trp
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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)



ID: 37161 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
neilp62

Send message
Joined: 23 Nov 10
Posts: 14
Credit: 8,017,535,732
RAC: 0
Level
Tyr
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwat
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!
ID: 37170 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
YannTC

Send message
Joined: 4 Mar 14
Posts: 5
Credit: 949,687,483
RAC: 0
Level
Glu
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwat
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!
ID: 37171 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
Toni
Volunteer moderator
Project administrator
Project developer
Project tester
Project scientist

Send message
Joined: 9 Dec 08
Posts: 1006
Credit: 5,068,599
RAC: 0
Level
Ser
Scientific publications
watwatwatwat
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. :)
ID: 37191 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
Stefan
Project administrator
Project developer
Project tester
Project scientist

Send message
Joined: 5 Mar 13
Posts: 348
Credit: 0
RAC: 0
Level

Scientific publications
wat
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.
ID: 37347 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
1 · 2 · Next

Message boards : News : WU: THROMBIN

©2025 Universitat Pompeu Fabra