Posts by Dingo

1) Message boards : Number crunching : Parse error on line 6 in file "vina_data.pdbqt": (Message 4681)
Posted 30 Jan 2017 by Profile Dingo
Post:
This error started appearing again today on Linux machines

This is from https://boinc.drugdiscoveryathome.com/show_host_detail.php?hostid=1405

<core_client_version>7.4.23</core_client_version>
<![CDATA[
<message>
process exited with code 195 (0xc3, -61)
</message>
<stderr_txt>
17:40:20 (16762): wrapper (7.5.26014): starting
17:40:20 (16762): wrapper: running vina (--cpu 1 --config conf.txt --ligand vina_data.pdbqt --out vina_out.pdbqt --log vina_log.txt)


Parse error on line 6 in file "vina_data.pdbqt": ATOM syntax incorrect: "Si" is not a valid AutoDock type. Note that AutoDock atom types are case-sensitive.
17:40:21 (16762): vina exited; CPU time 0.032000
17:40:21 (16762): app exit status: 0x100
17:40:21 (16762): called boinc_finish(195)

</stderr_txt>
2) Message boards : News : Smina application released (Message 4640)
Posted 22 Jan 2017 by Profile Dingo
Post:
So is this task actually doing anything:

Name	smina_A3-smina-1_part_00_compound_10801.pdbqt_00895_100000.in_1
Workunit	2501238
Created	21 Jan 2017, 1:05:56 UTC
Sent	21 Jan 2017, 11:27:31 UTC
Report deadline	26 Jan 2017, 11:27:31 UTC
Received	21 Jan 2017, 11:28:28 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	1405
Run time	39 sec
CPU time	37 sec
Validate state	Valid
Credit	1.00
Device peak FLOPS	3.86 GFLOPS
Application version	Smina v0.03 
x86_64-pc-linux-gnu
Peak working set size	53.28 MB
Peak swap size	133.16 MB
Peak disk usage	8.99 MB
Stderr output
<core_client_version>7.4.23</core_client_version>
<![CDATA[
<stderr_txt>
06:25:19 (10686): wrapper (7.5.26014): starting
06:25:19 (10686): wrapper: running smina (--cpu 1 --config conf.txt --ligand smina_data.pdbqt --out smina_out.pdbqt --log smina_log.txt)
==============================
*** Open Babel Warning  in Init
  Cannot open element.txt defaulting to compiled data.
==============================
*** Open Babel Warning  in Init
  Cannot open types.txt defaulting to compiled data.
==============================
*** Open Babel Warning  in Init
  Cannot open resdata.txt defaulting to compiled data.
==============================
*** Open Babel Warning  in Init
  Cannot open bondtyp.txt defaulting to compiled data.
==============================
*** Open Babel Warning  in Init
  Cannot open aromatic.txt defaulting to compiled data.
==============================
*** Open Babel Warning  in Init
  Cannot open atomtyp.txt defaulting to compiled data.
==============================
*** Open Babel Warning  in Init
  Cannot open phmodel.txt defaulting to compiled data.
06:25:57 (10686): smina exited; CPU time 37.472000
06:25:57 (10686): called boinc_finish(0)

</stderr_txt>
]]>
]]>
3) Message boards : Cafe : Team Invites (Message 2252)
Posted 19 Feb 2010 by Profile Dingo
Post:
All Australians and anyone who is interested, is invited to join a team involved in all BOINC projects, become part of the Aussie Alliance and compete with the largest national teams.

BOINC@AUSTRALIA has a great member retention and participation rate, better than most other teams. Please pop in and find out why.

We're here for the science but enjoy the fun. We have a team web site, active forum, team camaraderie and best of all great team members. If you're interested please click on the link in my signature.


* BOINC@AUSTRALIA
* We're ranked 11th out of 86,253 world teams for combined BOINC projects, and closing in on 10th.
* We're the #1 Aussie team, with almost one and a half Billion credits - That's a lot of science!
* The team is active in most current BOINC projects.
* We're still growing and looking for more members in any BOINC project.
* Your existing BBC Climate credits come with you.
* Future credits from all projects will help build a powerful Aussie Alliance.
* BOINC@AUSTRALIA has over 3,420 members.

Together, we'll not only be the top Australian team, but reaching for the top 10 in the world.

We are open to new suggestions, new members and new science. Come and look us over - You can check out our web site by clicking on the team logo below and also have a look around our forum.

Once you are a member of the Team join the Forum using the same name and email address so that I can confirm you are a member of the Team. You have no idea how many spam registrations I get in a week...






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