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Re: Research Log: Updates from the Harvard Team

We officially initiated the move from Q-Chem 3.2 to the latest version 4.0. The new code has a number of exciting additional features and we are very much looking forward to using them. It’s gonna take a while until the code review and porting is completed, but the ball is finally rolling biggrin.
http://www.q-chem.com/
[Jun 22, 2012 4:41:36 PM]   Link   Report threatening or abusive post: please login first  Go to top 
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Re: Research Log: Updates from the Harvard Team

Hi Dataman,
we are very jealous cool.
Best wishes from
Your melting Harvard CEP team
[Jun 22, 2012 4:43:10 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Jim1348
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Re: Research Log: Updates from the Harvard Team

We officially initiated the move from Q-Chem 3.2 to the latest version 4.0. The new code has a number of exciting additional features and we are very much looking forward to using them. It’s gonna take a while until the code review and porting is completed, but the ball is finally rolling biggrin.
http://www.q-chem.com/

Support for Modern Computing Platforms
Accelerating RI-MP2 calculation with GPU (graphic processing unit) (Roberto Olivares-Amaya, Mark A. Watson, Richard G. Edgar, Leslie Vogt, Yihan Shao, Alan Aspuru-Guzik, Section 5.5.3).

Very interesting.
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Re: Research Log: Updates from the Harvard Team

TGIF. A pleasant weekend to all of you. Oh, and here is a bit of wisdom to ponder biggrin.
http://xkcd.com/1047/
[Jun 22, 2012 10:08:58 PM]   Link   Report threatening or abusive post: please login first  Go to top 
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Re: Research Log: Updates from the Harvard Team

Sule and Johannes are currently out of town on conferences to present CEP2. Sule is in Turkey and Johannes in Boulder (Colorado) for the International Congress of Quantum Chemistry. These meetings are always a great opportunity to promote our project and science in the community. Alas, it also means – as you most likely will have noticed - that our updates are much sparser than usual (and will remain so for another couple of days). But we’ll make it up to you once everything is back to normal.
http://www.colorado.edu/chemistry/icqc2012/index.html
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Re: Research Log: Updates from the Harvard Team

Johannes presented his poster at ICQC the other day and had a pretty busy afternoon. Introducing CEP to interested colleagues for 3 hours straight can be considered a nice success. The feedback was very positive and the community seems to appreciate the project as quite a unique enterprise in quantum chemistry.
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Re: Research Log: Updates from the Harvard Team

Just in time for the weekend we have some eye-candy for all you crunchers out there. Check it out, enjoy, and share it to give us some extra exposure!
http://www.youtube.com/watch?v=XZg0USc2PZY
[Jun 30, 2012 2:24:56 PM]   Link   Report threatening or abusive post: please login first  Go to top 
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Re: Research Log: Updates from the Harvard Team

Has CEP2 run dry of jobs for now ?
[Jun 30, 2012 2:38:33 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Jim1348
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Re: Research Log: Updates from the Harvard Team

I got one four hours before your post, and have a normal que at the moment. But it seems to me that they have been coming in slowly over the past few days, so maybe they are having a dry spell.

EDIT: I got two more in the last hour, and am full up to my quota of 5, so it seems to be back to normal for me at the moment.
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[Edit 1 times, last edit by Jim1348 at Jun 30, 2012 7:03:05 PM]
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Re: Research Log: Updates from the Harvard Team

Thanks Jim.

I was getting a message saying that there was none available earlier , so I filled up with SN2S and then put it back to CEP2 only again straight after that. Will see how it goes again when it needs some work.
[Jun 30, 2012 10:05:23 PM]   Link   Report threatening or abusive post: please login first  Go to top 
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