Had 168 work units error out
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Message boards : Number crunching : Had 168 work units error out

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Bob Giel
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Message 2452 - Posted: 20 Jun 2015, 19:00:17 UTC

Had 168 work units error out with the following error.

Stderr output
<core_client_version>7.4.42</core_client_version>
<![CDATA[
<message>
Incorrect function.
(0x1) - exit code 1 (0x1)
</message>
<stderr_txt>

Receptor name: PFL0640w_1

Ligand name: CHEMBL12351_2


Parse error on line 26 in file "ligand": ATOM syntax incorrect: "Ru" is not a valid AutoDock type. Note that AutoDock atom types are case-sensitive.
11:39:50 (2556): called boinc_finish(1)

</stderr_txt>
]]>
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Profile Ben
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Message 2456 - Posted: 23 Jun 2015, 8:38:17 UTC - in response to Message 2452.

Ligand removed from database.

Dayle Diamond
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Message 2460 - Posted: 25 Jun 2015, 14:24:28 UTC

For your investigation:

This one used up four hours of crunch time, but couldn't validate on either attempt.

http://findah.ucd.ie/workunit.php?wuid=34863137

Ananas
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Message 2462 - Posted: 25 Jun 2015, 19:15:25 UTC - in response to Message 2460.

Score = max double, this must be a calculation error, probably an uncaught over-/underflow problem in Vina

Message boards : Number crunching : Had 168 work units error out


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