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Profile Jack Shultz
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Message 1407 - Posted: 28 Sep 2009, 15:37:39 UTC

We would like to assign the worst of the worst work to people who don't mind constant failures. These are the workunits we are surprised if they succeed because we have not done any testing on the project with them. If you can live without a constant stream of credits and can provide us with some insight on why these apps fail, please join the "Project Development" team id 557

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Profile Tim Turner
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Message 1408 - Posted: 28 Sep 2009, 17:03:50 UTC - in response to Message 1407.  
Last modified: 28 Sep 2009, 19:22:30 UTC

um, yea, my laptop and my quad.. 389, 326.
Tim Turner
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Profile [AF>EDLS] frederic abussan
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Message 1409 - Posted: 28 Sep 2009, 19:21:32 UTC - in response to Message 1408.  

You can send one at my wife computer has the habit ID 359
Here today gone tomorrow
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Message 1412 - Posted: 29 Sep 2009, 1:47:39 UTC
Last modified: 29 Sep 2009, 1:50:48 UTC

Have joined right now.

How intensive will be a stream of WUs assigned to my PC?
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Profile Jack Shultz
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Message 1416 - Posted: 29 Sep 2009, 14:59:13 UTC - in response to Message 1412.  

I'm waiting for at least 10 hosts before I start implementing it. I'll wait and see. I hope you won't mind canceling these as well. I need to also learn how to use the batch submission method which should make it easier to target groups of workunits to cancel.
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Profile [AF>EDLS] frederic abussan
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Message 1417 - Posted: 29 Sep 2009, 15:15:39 UTC - in response to Message 1416.  

i ve got one running about 8 hours and now she is in the 91.666 % steps working
Here today gone tomorrow
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Profile Jack Shultz
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Message 1418 - Posted: 29 Sep 2009, 15:20:54 UTC - in response to Message 1417.  

autodock or mdrun?
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Profile [AF>EDLS] frederic abussan
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Message 1420 - Posted: 29 Sep 2009, 15:31:25 UTC - in response to Message 1418.  

Exactly 3 Autodoc P9
Here today gone tomorrow
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Profile Jack Shultz
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Message 1421 - Posted: 29 Sep 2009, 18:26:13 UTC - in response to Message 1420.  

Something is wrong then. Abort
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Profile [AF>EDLS] frederic abussan
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Message 1424 - Posted: 29 Sep 2009, 19:44:05 UTC - in response to Message 1421.  

Task 730220


Name P9_LEU75_ILE78_LEU121_MET122_37981_ChemDiv_C741-1199_1253984026021366358_3
Workunit 207063
Created 28 Sep 2009 6:31:27 UTC
Sent 29 Sep 2009 5:22:24 UTC
Received 29 Sep 2009 18:39:18 UTC
Server state Over
Outcome Client error
Client state Compute error
Exit status -177 (0xffffff4f)
Computer ID 582
Report deadline 6 Oct 2009 5:22:24 UTC
Run time 39197.875
CPU time 39095.9219
stderr out <core_client_version>6.10.6</core_client_version>
<![CDATA[
<message>
Maximum elapsed time exceeded
</message>
<stderr_txt>
wrapper: starting
wrapper: running ../../projects/boinc.drugdiscoveryathome.com/unzip_1.011_windows_intelx86.exe (-qq -o "./MGLTools*.zip" -d ".")
wrapper: running 7za.exe (e ligand.mol2.7z)
wrapper: running ./Python25/python.exe (make_sitecustomize.py ".")
wrapper: running ./Python25/python.exe ("./MGLToolsPckgs/Support/sitecustomize.py")
wrapper: running ./Python25/python.exe ("./MGLToolsPckgs/AutoDockTools/Utilities24/prepare_ligand4.py" -l ligand.mol2 -o ligand.pdbqt)
wrapper: running ./Python25/python.exe ("./MGLToolsPckgs/AutoDockTools/Utilities24/prepare_receptor4.py" -U nphs_lps_waters -r receptor.pdb -o receptor.pdbqt)
close failed: [Errno 9] Bad file descriptor
wrapper: running ./Python25/python.exe ("./MGLToolsPckgs/AutoDockTools/Utilities24/prepare_flexreceptor4.py" -r receptor.pdbqt -g receptor_rigid.pdbqt -x receptor_flex.pdbqt -s LEU75_ILE78_LEU121_MET122)
wrapper: running ./Python25/python.exe ("./MGLToolsPckgs/AutoDockTools/Utilities24/prepare_gpf4.py" -l ligand.pdbqt -r receptor_rigid.pdbqt -x receptor_flex.pdbqt -p custom_parameter_file=1 -p parameter_file=AD4_parameters.dat)
wrapper: running ./Python25/python.exe ("./MGLToolsPckgs/AutoDockTools/Utilities24/prepare_dpf4.py" -l ligand.pdbqt -r receptor_rigid.pdbqt -x receptor_flex.pdbqt -p compute_unbound_extended_flag=0 -p ga_run=1)
wrapper: running ../../projects/boinc.drugdiscoveryathome.com/autogrid_1.011_windows_intelx86.exe (-p receptor_rigid.gpf -l out.glg)
wrapper: running ../../projects/boinc.drugdiscoveryathome.com/autodock_1.026_windows_intelx86.exe (-p ligand_receptor_rigid.dpf -l out.dlg)

</stderr_txt>
]]>

Validate state Invalid
Claimed credit 250.02680749403
Granted credit 0
application version autodock with mgltools scripts v1.26

Here today gone tomorrow
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Profile [AF>Libristes] Dudumomo

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Message 1428 - Posted: 29 Sep 2009, 20:31:52 UTC - in response to Message 1424.  

My Quad is yours Jack. ID 852
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Profile Tim Turner
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Message 1452 - Posted: 2 Oct 2009, 18:03:14 UTC - in response to Message 1428.  
Last modified: 2 Oct 2009, 18:04:07 UTC

AutoDock 1.30 is out, if anyone hasn't noticed, i'm seeing on the progress bar: this sequence with 1.30

.833, 2%, 3%, 4%, 5%, 6%, 7.5%, 15.833, then jumps to 99.166% and then finishes after about 5 minutes on my quad....

Does this fall into line with others?
Tim Turner
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Secunia PSI: http://secunia.com/vulnerability_scanning/personal/
If you need help via voice or Convo; PM me and i will give you details on where i will be; Teamspeak, Yahoo Messenger, or Skype.
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Message 1469 - Posted: 7 Oct 2009, 16:47:22 UTC

Found running autodock 1.40 (or smth.) in Windows task manager, contributing CPU core resource, while all 1.40 WU's were already finished (after several hours).
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Message 1518 - Posted: 13 Oct 2009, 5:26:26 UTC

13.10.2009 11:48:39 DrugDiscovery Starting task autodock_ga_run_10_24812_ChemDiv_8015-8367_1255405701994602613_0 using autodock_mgl version 150
13.10.2009 11:48:58 DrugDiscovery Starting autodock_ga_run_10_24801_ChemDiv_0091-0126_1255405617456152431_2
13.10.2009 11:49:00 DrugDiscovery Starting task autodock_ga_run_10_24801_ChemDiv_0091-0126_1255405617456152431_2 using autodock_mgl version 150
13.10.2009 12:07:44 DrugDiscovery Aborting task autodock_ga_run_10_24812_ChemDiv_8015-8367_1255405701994602613_0: exceeded elapsed time limit 1145.445522
13.10.2009 12:07:54 DrugDiscovery Computation for task autodock_ga_run_10_24812_ChemDiv_8015-8367_1255405701994602613_0 finished
13.10.2009 12:08:16 DrugDiscovery Aborting task autodock_ga_run_10_24801_ChemDiv_0091-0126_1255405617456152431_2: exceeded elapsed time limit 1145.445522
13.10.2009 12:08:25 DrugDiscovery Computation for task autodock_ga_run_10_24801_ChemDiv_0091-0126_1255405617456152431_2 finished
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Message 1520 - Posted: 13 Oct 2009, 11:17:26 UTC

Now things has changed:

13.10.2009 17:52:16 DrugDiscovery Aborting task autodock_ga_run_10_24539_ChemDiv_7174-0008_1255403631973808930_4: exceeded elapsed time limit 814.961712
13.10.2009 17:52:27 DrugDiscovery Computation for task autodock_ga_run_10_24539_ChemDiv_7174-0008_1255403631973808930_4 finished
13.10.2009 17:59:22 DrugDiscovery Aborting task autodock_ga_run_10_24203_ChemDiv_5498-2775_1255401814402003007_4: exceeded elapsed time limit 814.961712
13.10.2009 17:59:31 DrugDiscovery Computation for task autodock_ga_run_10_24203_ChemDiv_5498-2775_1255401814402003007_4 finished
[/b]
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Profile robertmiles

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Message 1525 - Posted: 13 Oct 2009, 16:33:09 UTC - in response to Message 1520.  

Some typical messages I'm getting:

10/13/2009 10:58:37 AM DrugDiscovery Scheduler request completed: got 1 new tasks
10/13/2009 10:58:39 AM DrugDiscovery Started download of md_5000_steps_autodock_23966_ChemDiv_C545-0336_1255010676320487140_1255435581861096286.tpr
10/13/2009 10:58:39 AM DrugDiscovery Started download of md_5000_steps_autodock_23966_ChemDiv_C545-0336_1255010676320487140_1255435581861096286.mdp
10/13/2009 10:58:40 AM DrugDiscovery Finished download of md_5000_steps_autodock_23966_ChemDiv_C545-0336_1255010676320487140_1255435581861096286.mdp
10/13/2009 10:58:47 AM DrugDiscovery Finished download of md_5000_steps_autodock_23966_ChemDiv_C545-0336_1255010676320487140_1255435581861096286.tpr
10/13/2009 10:58:52 AM DrugDiscovery Sending scheduler request: To fetch work.
10/13/2009 10:58:52 AM DrugDiscovery Requesting new tasks for CPU
10/13/2009 10:58:57 AM DrugDiscovery Scheduler request completed: got 1 new tasks
10/13/2009 10:58:59 AM DrugDiscovery Started download of md_5000_steps_autodock_24783_ChemDiv_K788-2896_1255011666785820738_1255435332824037138.tpr
10/13/2009 10:58:59 AM DrugDiscovery Started download of md_5000_steps_autodock_24783_ChemDiv_K788-2896_1255011666785820738_1255435332824037138.mdp
10/13/2009 10:59:00 AM DrugDiscovery Finished download of md_5000_steps_autodock_24783_ChemDiv_K788-2896_1255011666785820738_1255435332824037138.mdp
10/13/2009 10:59:09 AM DrugDiscovery Finished download of md_5000_steps_autodock_24783_ChemDiv_K788-2896_1255011666785820738_1255435332824037138.tpr
10/13/2009 11:08:51 AM DrugDiscovery Aborting task autodock_ga_run_10_24597_ChemDiv_8012-5815_1255403971942125863_3: exceeded elapsed time limit 642.664142
10/13/2009 11:09:04 AM DrugDiscovery Computation for task autodock_ga_run_10_24597_ChemDiv_8012-5815_1255403971942125863_3 finished
10/13/2009 11:19:20 AM DrugDiscovery update requested by user
10/13/2009 11:19:20 AM DrugDiscovery Sending scheduler request: Requested by user.
10/13/2009 11:19:20 AM DrugDiscovery Reporting 1 completed tasks, not requesting new tasks
10/13/2009 11:19:25 AM DrugDiscovery Scheduler request completed

In other words, these tasks appear to be aborting because they arrived with too short a time limit to allow them to complete.
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Profile robertmiles

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Message 1526 - Posted: 13 Oct 2009, 16:41:21 UTC - in response to Message 1407.  

We would like to assign the worst of the worst work to people who don't mind constant failures. These are the workunits we are surprised if they succeed because we have not done any testing on the project with them. If you can live without a constant stream of credits and can provide us with some insight on why these apps fail, please join the "Project Development" team id 557


The way several other BOINC projects do something similar is to set up another type of workunits called test, assign all such workunits that type, and let participants becide whether they want any workunits of that type. At least some of them base the credits for this type on the amount of CPU time used, and not on whether the workunit decided it was successful.

Actually I suspect that I'm being assigned mostly such workunits already - all the autodock workunits I've been assigned so far have failed, except those which haven't even been started yet.
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Message 1529 - Posted: 13 Oct 2009, 18:09:51 UTC - in response to Message 1526.  

all the autodock workunits I've been assigned so far have failed, except those which haven't even been started yet.

Those will fail as well, until Jack changes the <rsc_fpops_bound> value.
Although you can do that yourself... but then chance to run these tasks all alone to normal completion.

If you're interested though, or want to test (Advanced users only):
- Exit BOINC.
- Open client_state.xml in your BOINC Data directory in Notepad or a similar ASCII text editor.
- Press CTRL + F, type in Drug, click Find.
- In the Search now type autodock_ga, click Find.
- Per task it finds, change the value on <rsc_fpops_bound>1955928030229.000000</rsc_fpops_bound> to <rsc_fpops_bound>19559280302200.000000</rsc_fpops_bound>
- Save client_state.xml
- restart BOINC.

Don't change any other settings.
Jord

'Cause you seem like an orchard of mines, Just take one step at a time.
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Profile Jack Shultz
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Message 1587 - Posted: 21 Oct 2009, 18:49:51 UTC - in response to Message 1529.  

Should I raise the bound? If so by how much? It may be a fail safe having it the current way. We really should not see autodock run over 2 hours. If it does then that particular workunit has a problem.
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Message 1590 - Posted: 21 Oct 2009, 22:31:26 UTC - in response to Message 1587.  

Should I raise the bound? If so by how much?

By a hundred fold.

Jord

'Cause you seem like an orchard of mines, Just take one step at a time.
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