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Project Of The Month For December '09: Quantum Monte Carlo
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LanDroid
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Joined: 11 Jun 2002
Posts: 4466
Location: Cincinnati, OH U.S.

PostPosted: Tue Nov 24, 2009 8:06 pm    Post subject: Project Of The Month For December '09: Quantum Monte Carlo Reply with quote

Quote:
Reactions between molecules are important for virtually all parts of our lives. The structure and reactivity of molecules can be predicted by Quantum Chemistry, but the solution of the vastly complex equations of Quantum Theory often requires huge amounts of computing power. In our project we want to aquire the necessary computing time to further develop the very promising Quantum Monte Carlo (QMC) method for general use in Quantum Chemistry.

Current projects:
Stacking effects
Isomerisation reactions
Peptid conformers
Alkane folding

http://qah.uni-muenster.de/index.php
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LanDroid
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Joined: 11 Jun 2002
Posts: 4466
Location: Cincinnati, OH U.S.

PostPosted: Tue Nov 24, 2009 8:08 pm    Post subject: Reply with quote

Current stats:
44th place
5,534,002 points
6,888 RAC
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Idan
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Joined: 07 Dec 2005
Posts: 2993
Location: Tel-Aviv, Israel

PostPosted: Wed Nov 25, 2009 5:31 am    Post subject: Reply with quote

Yey! Good luck POTM participants! #ni-1
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Al Dente
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Joined: 23 Feb 2006
Posts: 3228
Location: Leodis, the jewel at the end of the yellow brick road (or M1)

PostPosted: Wed Nov 25, 2009 8:05 am    Post subject: Reply with quote

Sorry I didn't have time to do this for the full list this month, but here's our target for December:



#ni-1 and Happy Shrubbing to all you Credit Ho's out there.
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ohiomike
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Joined: 20 May 2007
Posts: 858
Location: Sometimes

PostPosted: Wed Nov 25, 2009 5:45 pm    Post subject: Reply with quote

Project notes (observations)

1) Scoring (Fixed credits, the quicker you finish, the better you score)-
Linux: Testing on my dual boot machines results in this data:
Intel : Windows gets +24% better credit/hour than Linux
AMD : Windows gets +12% better credit/hour than Linux
*Tests done with Linux= CentOS 5.4 x86_64 vs Windows 2K Pro.

2) No Mac OS/X app available.

3) CPU usage-
It appears that QMC is very CPU intensive, average temp is 2-5 degrees C higher on each core than Leiden or Einstein.
If you have a machine "on the edge" temp wise, keep an eye on it!

4) WU's (Longer than most projects, the 3 types I have seen)
402.5 Credits : 39,344 seconds on Intel Q6600, 39,357 seconds on AMD 6000 X2.
197.51 Credits: 21,276 seconds on Intel Q6600, 28,711 seconds on AMD PH9600 (Linux).
56.62 Credits: 6,997 seconds on Intel Intel Q6600

Confused Looks like I may need to figure out how to run Windoze on my Phenoms. Win 2K only uses 2 cores, don't have any spare XP licenses. I still have some NT Server licenses that will support 4 cores.. yeck! Or install Win7 RC (It is still good for a few months).

#ni-1
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Killerrabbit
Major Oblivion
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Joined: 23 May 2002
Posts: 4656
Location: in a rabbit hole near you!!

PostPosted: Wed Nov 25, 2009 9:18 pm    Post subject: Reply with quote

These are mighty, manly WUs.

Ni
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Killerrabbit
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Joined: 23 May 2002
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PostPosted: Tue Dec 01, 2009 12:38 am    Post subject: Reply with quote

Ah update, as the month starts tomorrow?

Ni
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JerWA
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Joined: 01 Jan 2007
Posts: 1497
Location: WA, USA

PostPosted: Tue Dec 01, 2009 1:55 am    Post subject: Reply with quote

Nah, the month started on about the 23rd of last month. Just look at the graph:


Razz

Fully half of that is ohiomike!


I don't imagine 007 will take that being way back there for long, and Al Dente is asleep at the wheel.

When SIMAP runs out of work (which it will do probably this week, for the first time in 60 days which is unheard of) my QMC credit/day should just about double. Then it'll be fun!

PS: No team passes yet or anything. Our RAC, if we kept it like it is, would move us from our current 44th to about 12th. Here's the next closest teams, some may be just too many credits ahead of us to pass in a month.


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ohiomike
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Joined: 20 May 2007
Posts: 858
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PostPosted: Tue Dec 01, 2009 10:59 am    Post subject: Reply with quote

I really didn't have a choice. For some reason Leiden would not supply enough work to keep my Linux machines working. I kept getting the infamous "Backing off for 24 hours" garbage. As I am currently heating my house with Boinc, I didn't want any machines idle (although I may have to start the furnace, the house was down to 68 degrees this AM when I got up - or maybe turn on the 6 GPU's I am not using). I was running Einstein to keep busy, but QMC is just as good! Produces lost of heat.
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JerWA
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Joined: 01 Jan 2007
Posts: 1497
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PostPosted: Tue Dec 01, 2009 11:39 am    Post subject: Reply with quote

Hah that's how I'm heating my house too, and part of how I justified the HD4890 in my machine lol. #ni-1
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John Galt 007
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Joined: 31 Dec 2007
Posts: 1206
Location: Wisconsin

PostPosted: Tue Dec 01, 2009 11:44 am    Post subject: Reply with quote

I have noticed that QMC does push the CPUs...my i7, running 8xQMC and 9xMW will spike 80C and drop down to 78C on the warmest core...
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LanDroid
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Joined: 11 Jun 2002
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Location: Cincinnati, OH U.S.

PostPosted: Tue Dec 01, 2009 8:04 pm    Post subject: TAUNT! Reply with quote

OK so we Kanigits have been getting bored, complaining, and there was even a vote to skip POTM for a month. Time to generate a little excitement! I think we've latched onto a project that can generate a boatload of points, so we should have that going on. A few Knights requested wimmin, but I can't help with that. Which leaves us with

In Quest Of A Taunt

Yes it is time... I initially thought the team above us, Team Norway would be a great candidate, especially since all the wimmin in Norway look exactly like this:



But alas, all the words on their forum look like this:

Skaéîëgärtömçò! vapaa kaikista

The next team up is The Universe Examiners, which sounds interesting, but their words also look like:

Ja elämää Yleistä Keskustelu

I continued on The Quest and we do have a winner! The next team above that in 41st place is The Scottish Boinc Team! A perfect candidate since Scotland is where our favorite movie was shot! And perhaps some folks who can translate scribblings from da Grizz!

Here's the Scottish Boinc Team web site
http://www.dunadd.co.uk/seti/

Here are the forums
http://www.dunadd.co.uk/seti/forum/index.php

Have at it, folks, I'm currently waiting on my activation email...
#ni-1
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JerWA
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PostPosted: Tue Dec 01, 2009 8:55 pm    Post subject: Reply with quote

This is sort've sad, but I Googled "Scottish bikini team" and it said "Did you mean Swedish bikini team?" and before the end of the first page the closest it can get is blogs about war and terrorists. Yikes.
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John Galt 007
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Joined: 31 Dec 2007
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PostPosted: Wed Dec 02, 2009 12:06 pm    Post subject: Reply with quote

We need more shrubs!!!

We currently have 13 members returning work today...kind of disheartening... Crying or Very sad



Idea Idea Maybe one of the admins could change the crawl on the top of the main page to include some info about the POTM???? Idea Idea
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LanDroid
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PostPosted: Wed Dec 02, 2009 12:56 pm    Post subject: Reply with quote

Wow, The Scottish Bikini Team is one of many things I do NOT want to see! Laughing

We crunched 45.3K 2 days ago and 78.4K yesterday, so perhaps just how we're approaching ramming speed? Smile Yes, we always need more shrubs - the Scots may fall in 3 or 4 days...

Milestones last 2 days:
ohiomike passed 300,000
John Galt 007 passes 60,000
Wabbit98 passed 8,000
Yankton passed 8,000
LanDroid passed 3,000
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JerWA
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PostPosted: Wed Dec 02, 2009 12:58 pm    Post subject: Reply with quote

Hell, 13 active is half of our user base at this point. Most new (<2 years old) projects have less than 30 members active.

I mean hell, I'm 5% of our RAC. 1 person, out of 3,887 members, and I'm 5% of our daily credits. I remember when I was 0.00x%.

At least our points/day has gone up some. We're in 10th, and our RAC puts us in 13th. Last time I checked it was going to be way lower than that.

Honestly I'm considering jumping ship too. Sad, really, since this is my first team and I've been with it almost 10 years. But logging in to nearly empty forums every day, watching the team slowly decay, and being completely ignored when trying to help implement things like a newer forum software and chat on the site, does not fill me with warm fuzzies.
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John Galt 007
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Joined: 31 Dec 2007
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PostPosted: Wed Dec 02, 2009 2:16 pm    Post subject: Reply with quote

I tried to change the team foundership from Gary H, but he blocked my attempt. He hasn't shrubbed since 2006...

I figured that at least the team should be in the name of an active shrubber...
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LanDroid
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PostPosted: Thu Dec 03, 2009 6:22 am    Post subject: Reply with quote

We're crankin' 'em now => 106, 661 shrubs yesterday! We've already passed the lovely Norway bikini team and at this rate we should pass both the Universe Examiniers and the Scottish Boinc team today...

Next team beyond that is the U.S. Navy. Are we looney enough to taunt them? Shocked

Sir John Galt and Ohiomike are in the Top 10 for the entire QMC project.
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John Galt 007
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PostPosted: Fri Dec 04, 2009 11:02 am    Post subject: Reply with quote



Looks like the team took some Viagra....
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PhastPhred
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Joined: 22 Mar 2006
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Location: Northwest AR (USA)

PostPosted: Fri Dec 04, 2009 11:15 am    Post subject: Reply with quote

I just jumped in - Sir Galt better watch out now! - I will soon be BORGing a School System's PCs and become "MiniNez!"

JK, PHolks, JK...

Very Happy
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