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nasher
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USA
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Re: Zero Redundancy for Say No to Schistosoma

What's a badge hunter to do! hope I can achieve Saphire in both SN2S & C4SW! LOL, only kidding, this is great news as the most important thing is to get the science done!


yes it makes it harder to get your badges but gets the work sooner....

another option possible is that because of the speedup the scientists will be able to add more work that would not have met the original deadlines.
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[Jun 9, 2012 12:04:08 AM]   Link   Report threatening or abusive post: please login first  Go to top 
gb009761
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Scotland
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Re: Zero Redundancy for Say No to Schistosoma

Yes, this speed-up certainly has made me change my priorities. Just over a week ago, I was toying with the idea to make a mad dash at Sapphire for HCC, but that's certainly been blown away by the need (for me) to focus on Emerald for these three VINA based projects, as well as CFSW. I've even taken CEP2 out of the mix (which has quite some way to go), whilst thankfully, C4CW is less than 90 days away from my own Emerald goal.
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[Jun 9, 2012 4:03:25 AM]   Link   Report threatening or abusive post: please login first  Go to top 
nasher
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Re: Zero Redundancy for Say No to Schistosoma

`still leaving CEP2 in the mix but i think i have the power to get the badges i want still... will watch it as it goes
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[Jun 9, 2012 8:15:04 AM]   Link   Report threatening or abusive post: please login first  Go to top 
johncmacalister2010@gmail.com
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Canada
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Re: Zero Redundancy for Say No to Schistosoma

Here are the results (error) for the first SN2S task I have processed in a while...


Result Log

Result Name: SN2S_ q00277_ 0000033_ 0009_ 3--



<core_client_version>7.0.25</core_client_version>
<![CDATA[
<message>
- exit code 195 (0xc3)
</message>
<stderr_txt>
INFO: No state to restore. Start from the beginning.
[14:50:22] Number of tasks = 80
[14:50:22] Starting task 0,CPU time is 0.000000.
[14:50:22] ./ZINC01022224.pdbqt size = 30 8 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[14:58:21] Vina exited normal 0.
[14:58:21] Finished task #0 cpu time used 471.715824
[14:58:21] Starting task 1,CPU time is 471.715824.
[14:58:21] ./ZINC01022224.pdbqt size = 30 8 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:06:22] Vina exited normal 0.
[15:06:22] Finished task #1 cpu time used 473.213433
[15:06:22] Starting task 2,CPU time is 944.929257.
[15:06:22] ./ZINC01022224.pdbqt size = 30 8 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:14:22] Vina exited normal 0.
[15:14:22] Finished task #2 cpu time used 472.464629
[15:14:22] Starting task 3,CPU time is 1417.393886.
[15:14:22] ./ZINC01022224.pdbqt size = 30 8 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:22:23] Vina exited normal 0.
[15:22:23] Finished task #3 cpu time used 474.118239
[15:22:23] Starting task 4,CPU time is 1891.512125.
[15:22:23] ./ZINC01022232.pdbqt size = 21 3 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:25:10] Vina exited normal 0.
[15:25:10] Finished task #4 cpu time used 163.847850
[15:25:10] Starting task 5,CPU time is 2055.359975.
[15:25:10] ./ZINC01022232.pdbqt size = 21 3 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:27:57] Vina exited normal 0.
[15:27:57] Finished task #5 cpu time used 163.988251
[15:27:57] Starting task 6,CPU time is 2219.348226.
[15:27:57] ./ZINC01022232.pdbqt size = 21 3 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:30:45] Vina exited normal 0.
[15:30:45] Finished task #6 cpu time used 164.159852
[15:30:45] Starting task 7,CPU time is 2383.508079.
[15:30:45] ./ZINC01022232.pdbqt size = 21 3 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:33:32] Vina exited normal 0.
[15:33:32] Finished task #7 cpu time used 164.128652
[15:33:32] Starting task 8,CPU time is 2547.636731.
[15:33:32] ./ZINC01022273.pdbqt size = 23 6 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:38:15] Vina exited normal 0.
[15:38:15] Finished task #8 cpu time used 277.510179
[15:38:15] Starting task 9,CPU time is 2825.146910.
[15:38:15] ./ZINC01022273.pdbqt size = 23 6 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:42:55] Vina exited normal 0.
[15:42:55] Finished task #9 cpu time used 275.591367
[15:42:55] Starting task 10,CPU time is 3100.738276.
[15:42:55] ./ZINC01022273.pdbqt size = 23 6 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:47:36] Vina exited normal 0.
[15:47:36] Finished task #10 cpu time used 276.074970
[15:47:36] Starting task 11,CPU time is 3376.813246.
[15:47:37] ./ZINC01022273.pdbqt size = 23 6 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:52:19] Vina exited normal 0.
[15:52:19] Finished task #11 cpu time used 276.792574
[15:52:19] Starting task 12,CPU time is 3653.605820.
[15:52:19] ./ZINC01022274.pdbqt size = 28 3 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[15:56:39] Vina exited normal 0.
[15:56:39] Finished task #12 cpu time used 255.186436
[15:56:39] Starting task 13,CPU time is 3908.792256.
[15:56:39] ./ZINC01022274.pdbqt size = 28 3 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[16:00:58] Vina exited normal 0.
[16:00:58] Finished task #13 cpu time used 254.812033
[16:00:58] Starting task 14,CPU time is 4163.604290.
[16:00:58] ./ZINC01022274.pdbqt size = 28 3 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[16:05:15] Vina exited normal 0.
[16:05:15] Finished task #14 cpu time used 252.752820
[16:05:15] Starting task 15,CPU time is 4416.357110.
[16:05:15] ./ZINC01022274.pdbqt size = 28 3 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[16:09:33] Vina exited normal 0.
[16:09:33] Finished task #15 cpu time used 254.624832
[16:09:33] Starting task 16,CPU time is 4670.981942.
[16:09:33] ./ZINC01022280.pdbqt size = 31 4 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
[16:09:35] ERROR: Vina exited with exit code = 1
VINA Error:

Parse error on line 35 in file ".\ZINC01022280.pdbqt": Atom 25 has not been found in this branch

Retrying task.
[16:09:40] Starting task 16,CPU time is 4670.981942.
[16:09:40] ./ZINC01022280.pdbqt size = 31 4 ../../projects/www.worldcommunitygrid.org/sn2s.target_q00277.pdbqt size = 1367 0
Unable to update graphics data.
[16:09:41] ERROR: Vina exited with exit code = 1
VINA Error:

Parse error on line 35 in file ".\ZINC01022280.pdbqt": Atom 25 has not been found in this branch

16:09:41 (2784): called boinc_finish

</stderr_txt>
]]>
----------------------------------------


crunching, crunching, crunching.

AMD Ryzen 5 2600 6-core Processor with Windows 11 64 Pro.

AMD Ryzen 7 3700X 8-Core Processor with Windows 11 64 Pro (part time)


smile
[Jun 10, 2012 10:12:04 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: Zero Redundancy for Say No to Schistosoma

Seen some in the stats coming through. Think that is a resend from before the con-version to ZR and the restart bug fix, at least seen no message to say that work has been released again.

--//--
[Jun 11, 2012 6:17:23 AM]   Link   Report threatening or abusive post: please login first  Go to top 
martin64
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Germany
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Re: Zero Redundancy for Say No to Schistosoma

Here are the results (error) for the first SN2S task I have processed in a while...

[...] ERROR: Vina exited with exit code = 1
VINA Error:

Parse error on line 35 in file ".\ZINC01022280.pdbqt": Atom 25 has not been found in this branch

Same error, different Atom:

Parse error on line 38 in file ".\ZINC00058183.pdbqt": Atom 23 has not been found in this branch

Got 2 of them, both ended in error. One of them now has 5 copies (3 error, 2 IP), the other 6 copies (4 error, 2 IP).

Regards,
Martin
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[Jun 12, 2012 6:16:23 AM]   Link   Report threatening or abusive post: please login first  Go to top 
pcwr
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Re: Zero Redundancy for Say No to Schistosoma

I got the same error.

Patrick

= 1103 0
[22:46:34] Vina exited normal 0.
[22:46:34] Finished task #43 cpu time used 67.985236
[22:46:34] Starting task 44,CPU time is 6675.391991.
[22:46:34] ./ZINC00058183.pdbqt size = 24 5 ../../projects/www.worldcommunitygrid.org/sn2s.target_q01137.pdbqt size = 1103 0
[22:46:36] ERROR: Vina exited with exit code = 1
VINA Error:

Parse error on line 38 in file ".\ZINC00058183.pdbqt": Atom 23 has not been found in this branch

Retrying task.
[22:46:41] Starting task 44,CPU time is 6675.391991.
[22:46:41] ./ZINC00058183.pdbqt size = 24 5 ../../projects/www.worldcommunitygrid.org/sn2s.target_q01137.pdbqt size = 1103 0
Unable to update graphics data.
[22:46:44] ERROR: Vina exited with exit code = 1
VINA Error:

Parse error on line 38 in file ".\ZINC00058183.pdbqt": Atom 23 has not been found in this branch

22:46:44 (3300): called boinc_finish
----------------------------------------

[Jun 12, 2012 6:33:16 AM]   Link   Report threatening or abusive post: please login first  Go to top 
seippel
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Re: Zero Redundancy for Say No to Schistosoma

The error "Atom ## has not been found in this branch" is a problem with one of the ligand files in the work unit. Although we scan for these for all of the Vina projects (DSFL, GFAM, SN2S) a small number of them managed to make it through for SN2S. We are in the process of identifying which work units have failed for this reason and will correct those work units and send them out again.

Seippel
[Jun 12, 2012 4:22:15 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: Zero Redundancy for Say No to Schistosoma

Retrying task.


Is that something that happens automatically, or did you force it to retry, somehow?

If the former, is that only a trait of VINA apps?

Thanks!
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[Edit 1 times, last edit by Former Member at Jun 13, 2012 4:52:51 PM]
[Jun 13, 2012 4:48:17 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: Zero Redundancy for Say No to Schistosoma

Looking at the time sequence, it appears like this "Retry task.", was science app generated [not typed by user]. Suppose doing a second parse is prudent coding behavior rather than immediately going south with the task. Techs would probably know.

--//--
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[Edit 1 times, last edit by Former Member at Jun 13, 2012 5:06:10 PM]
[Jun 13, 2012 5:04:20 PM]   Link   Report threatening or abusive post: please login first  Go to top 
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