Re: AMBER: What is the best computer for running AMBER simulations?

From: Yu Chen <>
Date: Thu, 16 Aug 2007 23:44:49 -0400 (EDT)

You definitly don't want a MacBook Pro with Windows XP as main OS, that's
just waste of money and computing power.

If you really are going to run computation intensive Amber jobs, then get
a 8-core Mac Pro desktop, much better for the job. Although if you only
run lots of small Amber jobs, then Macbook Pro will be fine, and will give
you mobility.


>>> I am in the process of purchasing a new laptop for computational modeling
>>> with AMBER. After consulting with my peers and colleagues, I was
>>> encouraged to get a Macbook Pro with the Windows XP operating system
>>> installed on it.
> This seems an odd combination to me. Using Windows for Amber can be a pain,
> especially for long-running simulations. Using the Mac OSX should be fine for
> Amber, and obviously is known to work well with Apple hardware. See
> Mengjeui's nice blog about Amber and Mac's on the Amber web site.
> I've found it hard to set up parallel Amber for windows (it's not really
> supported, but is do-able), and long-running processes can sometimes get
> interrupted. Please read carefully the section of the Amber web page about
> Running Amber on MS Windows (recently updated). If your primary purpose is to
> run compute-intensive calculations, I would find it hard to recommend windows
> (unless you are a windows guru.)
> I would also second what Andreas said: consider getting a desktop machine
> (probably with multiple cores and Linux) for the compute-intensive stuff, plus
> a separate laptop (if you need a laptop for other reasons):
>> For the price of the above machine, you could get a decent quad core
>> desktop machine (core 2 duo at 2.66 GHz) plus a laptop, which is still
>> fast (for everyday work and all but the newest computer games) and still
>> have some money left.
> my $.02....dac
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Yu Chen
Howard Hughes Medical Institute
Chemistry Building, Rm 182
University of Maryland at Baltimore County
1000 Hilltop Circle
Baltimore, MD 21250

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Received on Sun Aug 19 2007 - 06:07:34 PDT
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