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World Community Grid Forums
Category: Completed Research
Forum: FightAIDS@Home
Thread: Inconclusive Results |
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Thread Status: Active Total posts in this thread: 18
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gb009761
Master Cruncher Scotland Joined: Apr 6, 2005 Post Count: 3010 Status: Offline Project Badges: 
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pcwr, I fully understand your 'inconclusive' frustrations - as they also happen to me on occasion (I do tend to find though, that they go in waves).
----------------------------------------Personally though, I prefer the ZR projects - as then I'm not tending to be waiting constantly for my wingman to report in...  |
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JmBoullier
Former Community Advisor Normandy - France Joined: Jan 26, 2007 Post Count: 3716 Status: Offline Project Badges:
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pcwr,
----------------------------------------Are you checking periodically that none of all these inconclusive becomes invalid? |
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pcwr
Ace Cruncher England Joined: Sep 17, 2005 Post Count: 10903 Status: Offline Project Badges: 
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JmBoullier,
----------------------------------------Once the validating WU is submitted, my inconclusive WUs validate. So, yes I get the credit for the work done. That is not the problem, I'm just querying why so many of my FAAH WUs are coming back inconclusive. Patrick  |
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sk..
Master Cruncher http://s17.rimg.info/ccb5d62bd3e856cc0d1df9b0ee2f7f6a.gif Joined: Mar 22, 2007 Post Count: 2324 Status: Offline Project Badges: 
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Four recent returned tasks reported as Inconclusive, 2 on the same (new) system. I know this is still just part of the data validation/verification technique, but I noticed an Autodock4 warning message on an Inconclusive:
----------------------------------------autodock4: WARNING: Unrecognized keyword in docking parameter file. I thought I would post a note of it just in case, but the task ran OK, and I have seen other warnings before; "autodock4: *** WARNING! Non-integral total charge (-0.502 e) on ligand! *** " Project Name: FightAIDS@Home Created: 08/01/11 Name: faah18510_ZINC17423878_xmdEq_1HSI_00 Minimum Quorum: 1 Replication: 2 <core_client_version>6.10.58</core_client_version> <![CDATA[ <stderr_txt> Failed to get VersionInfo size: 2 INFO:[20:02:59] Start AutoGrid... autogrid: autogrid4: Successful Completion. INFO:[20:05:39] End AutoGrid... Beginning AutoDock... INFO: Setting num_generations: 10000 autodock4: WARNING: Unrecognized keyword in docking parameter file. About to enter main loop...(dockings already completed: 0) _maxGenSeenSoFar changed: 2500 _maxGenSeenSoFar changed: 2626 ... _maxGenSeenSoFar changed: 10328 Updating Best Energy for WU: 0.00 Finished Docking number 0 Finished Docking number 1 ... Finished Docking number 7 Updating Best Energy for WU: -9.43 Finished Docking number 8 ... Finished Docking number 33 Updating Best Energy for WU: -9.79 Finished Docking number 34 ... Finished Docking number 37 ________________________________________________________________________________ autodock4: Successful Completion on "World Community Grid device" ________________________________________________________________________________ INFO:[04:50:34] Start AutoGrid... autogrid: autogrid4: Successful Completion. INFO:[04:51:26] End AutoGrid... Beginning AutoDock... INFO: Setting num_generations: 27000 About to enter main loop...(dockings already completed: 38) Finished Docking number 0 ________________________________________________________________________________ autodock4: Successful Completion on "World Community Grid device" ________________________________________________________________________________ called boinc_finish </stderr_txt> ]]> [Edit 1 times, last edit by skgiven at Jan 11, 2011 11:33:36 AM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
If the wingman/verifier on this task spit out the same warning (warning in itself benign, left there for crunchers to get nervous ;-), then validates, then indeed consider it one more for the ''ignore'' list.
 : Any Volunteers to update the benign messages list in the WCG Wikia? |
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mgl_ALPerryman
FightAIDS@Home, GO Fight Against Malaria and OpenZika Scientist USA Joined: Aug 25, 2007 Post Count: 283 Status: Offline Project Badges: 
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Hello skgiven,
Thank you for paying close attention and for sending the details on those warnings: autodock4: WARNING: Unrecognized keyword in docking parameter file. autodock4: *** WARNING! Non-integral total charge (-0.502 e) on ligand! *** " The above are just warnings, they are not errors. Different versions of the code will give warnings about slightly different things, but since both the autogrid and autodock runs indicated a "Successful Completion," that means everything is fine. The one about the non-integral charge is a very frequent warning, but it is to be expected. Due to the quick method used to calculate charges on the ligands and the different representations of the possible protonation states for each ligand, some models of some ligands will display a charge that is slightly off an integer value (that is, slightly larger or smaller than -1 or +1, etc.). Other models will have a 1/2 charge, such as the one you crunched. These warnings about the charges can be totally ignored by you. Thank you very much for your help, Alex L. Perryman, Ph.D. |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Thanks for the explanations, Dr. Perryman :)
: Any Volunteers to update the benign messages list in the WCG Wikia?SekeRob, I've just added the said "warning" line to http://wcg.wikia.com/wiki/Result_log_warnings#AutoDock , if that's what you're refering to :) |
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kateiacy
Veteran Cruncher USA Joined: Jan 23, 2010 Post Count: 1027 Status: Offline Project Badges:
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I just got the "Non-integral total charge warning" on a WU. I appreciate the explanation available here!
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