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World Community Grid Forums
Category: Completed Research
Forum: Help Fight Childhood Cancer Project Forum
Thread: autodock4: ERROR: Too many torsions found. |
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Thread Status: Active Total posts in this thread: 8
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gb077492
Advanced Cruncher Joined: Dec 24, 2004 Post Count: 96 Status: Offline |
This error appeared in one of my WUs in the early hours of this morning. It has since been replicated to 3 others, the first two of which got exactly the same error. Since I don't know how many more times it may be replicated, I thought I should report it.
Here is the Workunit Status. The last entry is mine: Project Name: Help Fight Childhood Cancer Created: 18/04/09 Name: HFCC_t1_00391945_TrkB_0015 Minimum Quorum: 1 Replication: 1 Result Name Status Sent Time Time Due / Return Time CPU Time (hours) Claimed/ Granted BOINC Credit HFCC_ t1_ 00391945_ TrkB_ 0015_ 3-- In Progress 20/04/09 14:13:08 23/04/09 21:25:08 0.00 0.0 / 0.0 HFCC_ t1_ 00391945_ TrkB_ 0015_ 2-- Error 20/04/09 02:22:21 20/04/09 13:52:31 0.00 0.1 / 0.0 HFCC_ t1_ 00391945_ TrkB_ 0015_ 1-- Error 20/04/09 00:45:06 20/04/09 02:20:55 0.01 0.1 / 0.0 HFCC_ t1_ 00391945_ TrkB_ 0015_ 0-- Error 19/04/09 23:42:18 20/04/09 00:44:46 0.01 0.1 / 0.0 and here is the Result Log: <core_client_version>6.2.28</core_client_version> <![CDATA[ <message> - exit code -1 (0xffffffff) </message> <stderr_txt> Failed to get VersionInfo size: 1812 INFO:[01:42:49] Start AutoGrid... autogrid: autogrid4: Successful Completion. INFO:[01:43:35] End AutoGrid... Beginning AutoDock... autodock4: ERROR: ERROR: Too many torsions have been found (i.e. 44); maximum allowed is 32. Either: change the "#define MAX_TORS" line in constants.h Or: edit "00391945.pdbqt" to reduce the number of torsions defined. autodock4: Aborting... autodock4: Unsuccessful Completion. </stderr_txt> ]]> Let me know if you need anything more. |
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bieberj
Senior Cruncher United States Joined: Dec 2, 2004 Post Count: 406 Status: Offline Project Badges: 
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I thought they bumped up the maximum number of torsions. Or was I thinking of something else?
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Also got one like this..
----------------------------------------Reported it just a bit ago, and it was replicated and sent out again. Not sure if it matters, but host is 8 core Xeon with 8GB RAM, 32 bit Win OS (enterprise to use full 8GB RAM) Project Name: Help Fight Childhood Cancer Created: 4/19/09 Name: HFCC_t1_00392333_TrkB_0003 Minimum Quorum: 1 Replication: 1 <core_client_version>6.4.7</core_client_version> <![CDATA[ <message> - exit code -1 (0xffffffff) </message> <stderr_txt> Failed to get VersionInfo size: 2 INFO:[13:57:34] Start AutoGrid... autogrid: autogrid4: Successful Completion. INFO:[13:57:51] End AutoGrid... Beginning AutoDock... autodock4: ERROR: ERROR: Too many torsions have been found (i.e. 35); maximum allowed is 32. Either: change the "#define MAX_TORS" line in constants.h Or: edit "00392333.pdbqt" to reduce the number of torsions defined. autodock4: Aborting... autodock4: Unsuccessful Completion. </stderr_txt> ]]> [Edit 1 times, last edit by Former Member at Apr 21, 2009 2:00:54 PM] |
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Sekerob
Ace Cruncher Joined: Jul 24, 2005 Post Count: 20043 Status: Offline |
Some thought and others know, who checked, that nothing is done about the torsion instances since -Uplinger wrote:
----------------------------------------http://www.worldcommunitygrid.org/forums/wcg/printpost?post=219800 Posted by uplinger at Mar 15, 2009 9:29:58 PM Re: Autodock 4 Error These are not errors per say with the Autodock 4 code. These are issues with the work units not being within the bounds of the Autodock. So these are work unit issues and we will be looking into these next week. The errors are very low for this project which is very good. Also, it shows up as a network card issue because we exit with error code 57 at that point in the code. BOINC's API pulls the error code and tries to match it up with what it knows. Most of the errors we see with the work units have been exiting very quickly in the runs so little CPU time has been used before the work unit errors out. -Uplinger What was changed was the handling of another error plus the upgrading of all AutoDock based projects to be able to handle 14 atoms instead of 6. DDDT was/is the last upgraded to that latest state of the art version 6.07
WCG
----------------------------------------Please help to make the Forums an enjoyable experience for All! [Edit 1 times, last edit by Sekerob at Apr 21, 2009 2:08:42 PM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
What was changed was the handling of another error plus the upgrading of all AutoDock based projects to be able to handle 14 atoms instead of 6. DDDT was/is the last upgraded to that latest state of the art version 6.07 Thank you Sekerob, It was really no loss (1 second) just thought it should be reported as well, since it's the first error I've noticed, Glad to know it's already being considered, wish I had more time to stay up to date on the forums, but with sharing CPUs on several other BOINC projects as well, I rarely get more than the occasional chance to keep up on the happenings. It's good to have people like you that know the happenings and take the time to respond to these posts. Thank you for the info. |
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gb077492
Advanced Cruncher Joined: Dec 24, 2004 Post Count: 96 Status: Offline |
I echo what Steven Pletsch said: thank-you, Sekerob!
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Looks like we have another torsion error WU.
HFCC_ t1_ 00391076_ TrkB_ 0005_ 2-- In Progress 4/29/09 14:40:08 5/2/09 21:52:08 0.00 0.0 / 0.0 HFCC_ t1_ 00391076_ TrkB_ 0005_ 1-- Error 4/29/09 13:02:26 4/29/09 14:24:24 0.00 0.1 / 0.0 HFCC_ t1_ 00391076_ TrkB_ 0005_ 0-- Error 4/29/09 07:25:37 4/29/09 13:01:14 0.02 0.1 / 0.0 |
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uplinger
Former World Community Grid Tech Joined: May 23, 2005 Post Count: 3952 Status: Offline Project Badges: 
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Greetings,
----------------------------------------The MAX_TORS issue was not changed in the code. However, these latest ones that members are seeing are because those work units were built with the old build script. The new build script scans for both invalid atom types and the max_tors. If it finds either, then it omits them from being built and sent to member machines. This was put into production yesterday, so some of the work units may still have issues. Members should not see these past work units HFCC_t1_0048000_*. Note: This is a server side change so no action is needed by the members. -Uplinger *edit: added note. [Edit 1 times, last edit by uplinger at Apr 29, 2009 6:44:02 PM] |
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