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Thread Status: Active Total posts in this thread: 24
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nasher
Veteran Cruncher USA Joined: Dec 2, 2005 Post Count: 1423 Status: Offline Project Badges:
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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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gb009761
Master Cruncher Scotland Joined: Apr 6, 2005 Post Count: 3010 Status: Offline Project Badges:
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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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nasher
Veteran Cruncher USA Joined: Dec 2, 2005 Post Count: 1423 Status: Offline Project Badges:
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`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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johncmacalister2010@gmail.com
Veteran Cruncher Canada Joined: Nov 16, 2010 Post Count: 799 Status: Offline Project Badges:
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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) ![]() |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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.
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martin64
Senior Cruncher Germany Joined: May 11, 2009 Post Count: 445 Status: Offline Project Badges:
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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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pcwr
Ace Cruncher England Joined: Sep 17, 2005 Post Count: 10903 Status: Offline Project Badges:
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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 ![]() |
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seippel
Former World Community Grid Tech Joined: Apr 16, 2009 Post Count: 392 Status: Offline Project Badges:
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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 |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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! [Edit 1 times, last edit by Former Member at Jun 13, 2012 4:52:51 PM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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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