Smina application released

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Profile Krzysztof Piszczek - wspieram Polski Projekt Boinc
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Message 4615 - Posted: 20 Jan 2017, 22:20:08 UTC

We just have released Smina - a fork of Vina.
Smina does same tasks as Vina, just about 10 times faster.
At the moment only Linux 64bit version is available.

Smina application and source files are available here:
https://sourceforge.net/projects/smina/
Krzysztof 'krzyszp' Piszczek

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Message 4617 - Posted: 20 Jan 2017, 23:28:48 UTC

All errors after few seconds
<message>
process exited with code 1 (0x1, -255)
</message>
<stderr_txt>
00:24:14 (2575): wrapper (7.5.26014): starting
application smina missing
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Steve Hawker*

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Message 4618 - Posted: 21 Jan 2017, 0:11:12 UTC

Might I suggest you enable preferences on a per app basis as most projects do so we can select which apps to run or avoid.

Thanks
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Senilix

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Message 4619 - Posted: 21 Jan 2017, 0:24:16 UTC - in response to Message 4618.  

Might I suggest you enable preferences on a per app basis as most projects do so we can select which apps to run or avoid.

Thanks

+1
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boboviz

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Message 4620 - Posted: 21 Jan 2017, 8:53:21 UTC - in response to Message 4619.  

Might I suggest you enable preferences on a per app basis as most projects do so we can select which apps to run or avoid.

Thanks

+1


+1
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fzs600

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Message 4623 - Posted: 21 Jan 2017, 10:22:23 UTC - in response to Message 4620.  

Might I suggest you enable preferences on a per app basis as most projects do so we can select which apps to run or avoid.

Thanks

+1


+1

+1
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Profile Krzysztof Piszczek - wspieram Polski Projekt Boinc
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Message 4626 - Posted: 21 Jan 2017, 12:34:52 UTC - in response to Message 4623.  

Done :)
Krzysztof 'krzyszp' Piszczek

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Message 4629 - Posted: 21 Jan 2017, 13:00:15 UTC - in response to Message 4626.  

Done :)

Cool!
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Sergey Kovalchuk

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Message 4630 - Posted: 21 Jan 2017, 13:03:14 UTC - in response to Message 4626.  

Done :)

And now "No tasks are available for Smina"
We need more tasks :o)
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Message 4632 - Posted: 21 Jan 2017, 13:19:25 UTC - in response to Message 4630.  

And now "No tasks are available for Smina"
We need more tasks :o)


Same here, no tasks
But server status is: "Smina ready to send 579"
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Profile Erkan Yilmaz
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Message 4636 - Posted: 21 Jan 2017, 16:10:10 UTC - in response to Message 4615.  
Last modified: 21 Jan 2017, 16:11:05 UTC

> Smina does same tasks as Vina, just about 10 times faster.

That could also be interpreted by some "smart" users as:
* they can cancel all their VINA WUs (to get the faster ones)

Is there a difference in rewards for both ?
And I assume also: canceling many WUs brings "punishment" by an algorithm
Standing on the shoulders of giants
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Profile Krzysztof Piszczek - wspieram Polski Projekt Boinc
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Message 4638 - Posted: 21 Jan 2017, 16:13:46 UTC - in response to Message 4636.  

Both applications do same, but on different data set.
Smina is faster on some subset of functions and we do smina workunits only for the tasks which can be done faster by it.

Also, is no smina for Windows (and it takes longer time to get it as nobody never had compiled it successfully on Windows - but obviously I'm keep trying).
Krzysztof 'krzyszp' Piszczek

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Message 4640 - Posted: 22 Jan 2017, 1:09:27 UTC

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>
]]>
]]>


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Profile Krzysztof Piszczek - wspieram Polski Projekt Boinc
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Message 4642 - Posted: 22 Jan 2017, 2:23:00 UTC - in response to Message 4640.  

No, it means, that one of the parameters isn't found in config file and is set by default (compiled) parameter. This is expected.
Krzysztof 'krzyszp' Piszczek

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Message 4645 - Posted: 22 Jan 2017, 7:36:36 UTC - in response to Message 4632.  

And now "No tasks are available for Smina"
We need more tasks :o)


Same here, no tasks
But server status is: "Smina ready to send 579"

Getting the same thing except the server status now shows >1,000 Smina tasks available
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Message 4647 - Posted: 22 Jan 2017, 15:22:52 UTC - in response to Message 4645.  

Getting the same thing except the server status now shows >1,000 Smina tasks available


Still not download Smina wus....
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Message 4653 - Posted: 23 Jan 2017, 15:02:27 UTC

Server status - Smina 431 WU Unsent (Task data as of 23 Jan 2017, 14:51:03 UTC)
But "No tasks are available for Smina"

Option "If no work for selected applications is available, accept work from other applications" don't work
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