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Profile Ben
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Message 1702 - Posted: 13 Jan 2015, 11:23:52 UTC

I just put 3 192 552 more WU!

Have fun :)

Profile Charles Dennett
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Message 1703 - Posted: 13 Jan 2015, 11:42:16 UTC
Last modified: 13 Jan 2015, 11:50:26 UTC

Completed a few and looks like I'm getting an error about Maximum Disk usage exceeded on some, not all of them and on different systems.

Here is one of them:

http://findah.ucd.ie/result.php?resultid=6570431

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Profile Ben
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Message 1704 - Posted: 13 Jan 2015, 12:05:30 UTC - in response to Message 1703.
Last modified: 13 Jan 2015, 13:00:50 UTC

The disk usage is set to wu.rsc_disk_bound = 150000 (EDIT: 150 Kbytes, not Mbytes...).

I don't know why you have this error... but I'm investigating.

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Message 1705 - Posted: 13 Jan 2015, 12:30:26 UTC - in response to Message 1704.

I have the same problem.

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Message 1706 - Posted: 13 Jan 2015, 12:37:04 UTC - in response to Message 1704.
Last modified: 13 Jan 2015, 12:39:26 UTC

This seems to be set in KBytes in stead of MBytes. From my logfile: 13/01/2015 13:32:09 | FiND@Home | Aborting task vina_216071_150_22p2_0: exceeded disk limit: 0.25MB > 0.14MB

John C MacAlister
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Message 1707 - Posted: 13 Jan 2015, 12:37:27 UTC

Got 100 tasks, all completing with error. Project suspended

My disk has available to BOINC 812.77 GB

13-Jan-15 7:28:07 | FiND@Home | Starting task vina_216071_1335_22p2_0
13-Jan-15 7:28:08 | FiND@Home | Aborting task vina_216071_1335_22p2_0: exceeded disk limit: 0.25MB > 0.14MB

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Profile Ben
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Message 1708 - Posted: 13 Jan 2015, 12:51:02 UTC - in response to Message 1707.

Fixed :) for upcoming WUs.

"exceeded disk limit: 0.25MB > 0.14MB", thanks for that.

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Message 1710 - Posted: 13 Jan 2015, 14:07:56 UTC - in response to Message 1708.

All my WU's OK as far as disk space etc but they seem to be taking 20-22 minutes each to process. Might be worth for those with disk problems checking how much you have allowed BOINC.

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Message 1711 - Posted: 13 Jan 2015, 14:28:40 UTC
Last modified: 13 Jan 2015, 14:43:37 UTC

Hi Ben have done a few of the new WU's.

They seem to have a funny profile in that from 0-90% complete takes about 10 Mins. To go from 91 to 100% complete takes a further 15 Mins.

Just an observation.

Profile Ben
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Message 1712 - Posted: 13 Jan 2015, 14:55:19 UTC - in response to Message 1711.

Yes, I know. It's because I don't know how to modify libboost to include the BOINC API.

The progression bar is handle by libboost and not by Vina.

Profile Charles Dennett
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Message 1715 - Posted: 13 Jan 2015, 15:21:42 UTC - in response to Message 1710.

All my WU's OK as far as disk space etc but they seem to be taking 20-22 minutes each to process. Might be worth for those with disk problems checking how much you have allowed BOINC.


I don't think it's a problem with the disk space you've allowed boinc and this project to use. I think it's a problem with the individual tasks. I believe each task has a specified limit on its output and the wrong limit was specified for the earlier tasks. Ben has since fixed it so new tasks have the correct limit.

-Charlie
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Message 1717 - Posted: 13 Jan 2015, 18:20:29 UTC

Ben...I think if the run time is going to be around 30 mins which I have had you maybe need to consider Checkpointing. With these sort of run times across 4 cores we can easily waste 2 hrs if we have to do a restart.

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Message 1721 - Posted: 14 Jan 2015, 4:27:04 UTC

Can we get a post to the science thread explaining these new work units?

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Message 1722 - Posted: 14 Jan 2015, 8:29:40 UTC - in response to Message 1715.

Ok...

Profile Ben
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Message 1724 - Posted: 14 Jan 2015, 9:07:18 UTC - in response to Message 1717.

"The checkpoint file must include everything required to restart the computation at the same point."

But you can't restart Vina "at the same" point. A solution could be to dump the memory and include a restart process into Vina. I don't know how to that (grammatically) and it'll take me forever :(

@Dayle Diamond
The first part of TB is done. It was the stiff ligands, it means without many rotative bonds.
Now, you are using flex ligands. Vina is trying do drastically deform those ligands, rotate every rotative bonds. That's why the WU are longer.

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Message 1725 - Posted: 14 Jan 2015, 13:08:46 UTC

Thanks for that...

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Message 1731 - Posted: 14 Jan 2015, 19:27:07 UTC

There seems to be a bug in the computation: CPU is used 100% (BOINC is configured to use max 60%), suspending the tasks doesn't help, they keep eating the CPU. Other projects run fine, within limits.

Profile Ben
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Message 1732 - Posted: 14 Jan 2015, 20:50:37 UTC - in response to Message 1731.

The tasks are using 100% of one core.

You can't suspend a task because Vina can't be suspended :(

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Message 1733 - Posted: 14 Jan 2015, 21:23:11 UTC - in response to Message 1732.

The tasks are using 100% of one core.

You can't suspend a task because Vina can't be suspended :(


Okay, I found the reason why my PC is laggy when I´m working. ;)
The tasks are running fast, thats good. :)
Ben, thanks for new work!

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Message 1739 - Posted: 15 Jan 2015, 14:26:06 UTC

Computing status

Work #
Tasks ready to send 1,075
Tasks in progress 167,082

can we check progress through the entire batch?
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