Smina for mol2

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[BOINC@Poland]goofyx
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Message 4888 - Posted: 2 Aug 2017, 14:36:53 UTC - in response to Message 4887.  

mol2 out of work already. :(

yes... smina_mol2 has very short series <- about 50k WU's per config and we crunch two cofigs.
But vina now have serie of 11kk WU's so we have have much work to do.
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Felix

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Message 4889 - Posted: 2 Aug 2017, 15:03:42 UTC

but is this beta app?

because i can't see any double checker at my tasks
or is there no double check at all
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[BOINC@Poland]goofyx
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Message 4897 - Posted: 8 Aug 2017, 21:29:51 UTC - in response to Message 4889.  

smina_mol2 it's not beta app.


I have very good news for everybody who would like to crunch some smina WU's....
I started to generated big serie of that WU <- only about 10M :)

At this moment smina has only arm (odroid, raspberry pi) app but in next 2-3 days linux version should be supported
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Jim1348

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Message 4898 - Posted: 8 Aug 2017, 22:46:49 UTC - in response to Message 4897.  

That is very nice, but on my Linux machine (i5-3550), they are too short, running only about 2 or 3 minutes.
Therefore, my BoincTasks log fills up, and I have to reduce the number of days that it monitors.

So these seem to be sized for the portable devices (Android or whatever).
Could you make some bigger ones for the desktop users?
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[BOINC@Poland]goofyx
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Message 4899 - Posted: 9 Aug 2017, 22:42:52 UTC - in response to Message 4898.  

That is very nice, but on my Linux machine (i5-3550), they are too short, running only about 2 or 3 minutes.
Therefore, my BoincTasks log fills up, and I have to reduce the number of days that it monitors.

So these seem to be sized for the portable devices (Android or whatever).
Could you make some bigger ones for the desktop users?


At this moment we can't. We know it's short.
It does not depend on us ( boinc admins) our science team prepare that kind of task and we just generate WU from it.
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klepel

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Message 4945 - Posted: 4 Oct 2017, 16:24:10 UTC

My main LINUX box has gotten stuck twice within 24 hours. It seems the Simina for mol2 are too short!
And I observe that the quantity of the available WUs go down fast. We will run out in two weeks?
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LELE1964

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Message 4948 - Posted: 5 Oct 2017, 4:41:19 UTC

many problems with download of Wu Smina for Mol.
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[BOINC@Poland]goofyx
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Message 4949 - Posted: 5 Oct 2017, 11:44:58 UTC - in response to Message 4945.  

And I observe that the quantity of the available WUs go down fast. We will run out in two weeks?

We have enought smina-mol2 WU's.
Acctual series has 1,2kk generated and I am starting to generate next serie with 5,5kk of WU.
Number of ready to sent wu on the server drop down durring last 24-36 hours because I have some maintance breake on storage system <- at this moment 2 generators work for smina-mol2 and 2 generators for vina.
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[BOINC@Poland]goofyx
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Message 4950 - Posted: 5 Oct 2017, 11:45:18 UTC - in response to Message 4948.  

many problems with download of Wu Smina for Mol.

I will check it
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klepel

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Message 4951 - Posted: 5 Oct 2017, 14:43:11 UTC

I had to give up crunching “Smina for mol2” on my AMD Ryzen 1700 (Linux Lubuntu 17.04) system as it got stuck 3 times within 24 hours. I think it is either the short WUs or the frequent download errors.

The same computer did not have problems before the download problems started on all computers “vina” as well as “Smina for mol2”.
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LELE1964

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Message 4952 - Posted: 5 Oct 2017, 17:12:01 UTC

There are the same problems of this morning; error is:
<core_client_version>7.2.42</core_client_version>
<![CDATA[
<message>
WU download error: couldn't get input files:
<file_xfer_error>
<file_name>smina-mol2_SM002b_config-4l2y_zinc15-00066_GFAAMN.xaa-ligand-2854.pdbqt_19943_59684.in</file_name>
<error_code>-119 (md5 checksum failed for file)</error_code>
<error_message>MD5 check failed</error_message>
</file_xfer_error>

</message>
]]>
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[BOINC@Poland]goofyx
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Message 4953 - Posted: 6 Oct 2017, 8:10:40 UTC - in response to Message 4952.  

There are the same problems of this morning; error is:
7.2.42

WU download error: couldn't get input files:

smina-mol2_SM002b_config-4l2y_zinc15-00066_GFAAMN.xaa-ligand-2854.pdbqt_19943_59684.in
-119 (md5 checksum failed for file)
MD5 check failed



]]>

I found problem <- it's my mistake and I am sorry for that.
At this moment for every app (vina and simna-mol2) I had to start 2 WU generators to keep up sending tasks to hosts <- But for smina-mol2 both generators overlapped tasks from one directory and create about 50k bad wu's.

I am really sorry for that. Last night I split both (vina and smina) sources directory for every generators.
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Message boards : Number crunching : Smina for mol2


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