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Author Topic: Project News - QMC@Home  (Read 30614 times)
BF
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« on: June 24, 2009, 09:32:53 AM »

From the QMC@Home message boards:

Tuesday 23 Jun 2009 10:05:11 UTC

Hi,

this morning we had a downtime of about 1 hour due to some filesystem checks after a reboot. Now everything should be up and running again.

Best regards,

Rob
 
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Mick Lindsay
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« Reply #1 on: September 24, 2012, 07:50:48 PM »

QMC@home is changing, the below message  is from the QMC home page

quote "QMC@home will move from the University of Muenster to the newly established Center for Theoretical Chemistry at the University of Bonn soon. At the same time, both design aspects as well as the scientific focus will be overhauled

In the future, we will broaden our scientific scope, going from Quantum Monte Carlo at home to Quantum Mechanical Computations at home so to speak. Our special focus will be on bio- and energy materials. In the field of biomaterials we will investigate the quantum mechanical treatment of protein-ligand interactions, which are fundamental to the development of new drugs. In the field of energy materials we will develop new materials for advanced batteries, which are of high importance for the electrification of the automobile, which in turn is of central importance for future mobility concepts." unquote
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« Reply #2 on: July 29, 2013, 05:13:51 AM »

QMC@HOME is back. The new website is at http://qmcathome.org/ There is no forum yet. Possibly stats aren't being exported yet either.

I downloaded 2 of the cleanmobility test tasks. These are reported to take about a day on a fast computer and run hot. The average runtime of the last 100 tasks is 32 hours (shown here).  If you wish to limit the number that run concurrently then you can use an app_config.xml file:

<app_config>
<app>
<name>cmn</name>
<max_concurrent>2</max_concurrent>
</app>
</app_config>

Task checkpoint every 2% which is taking 4-4.5 hours on my computer. The 64-bit task is running about 10% faster than the 32-bit one. Apparently they complete after 10-11 checkpoints which means these 2 should complete in 40-50 hours. Phew, they're biggies. ;D
« Last Edit: July 29, 2013, 01:54:34 PM by kashi » Logged

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« Reply #3 on: July 30, 2013, 12:28:13 AM »

Thanks for the update Kashi  Congratulations Congratulations
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« Reply #4 on: July 30, 2013, 04:49:43 PM »

My first cleanmobility task just completed in 36 hours after reaching 18% progress. Ran without any trouble and peak memory usage was 226MB. Validated without wingman's task being completed and granted 1,087 credit.

Will keep one or two of these ticking over for a while just to welcome back QMC. I was invited to crunch QMC in 2006 by Rocoll before I joined B@A. ;D

Hopefully they will have some new quantum medicinal chemistry tasks soon as well as the cleanmobility tasks. It's just my druthers but I prefer working on drug research rather than research for better batteries.

Edit: 2nd task finished at 22% progress in 36.75 hours for 1,178 credit.
« Last Edit: July 30, 2013, 05:29:22 PM by kashi » Logged

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« Reply #5 on: July 30, 2013, 07:02:31 PM »

Thanks Kashi, I have reconnected.

MickL
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