AMBER Archive (2007)

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

From: Andreas Svrcek-Seiler (svrci_at_tbi.univie.ac.at)
Date: Thu Aug 16 2007 - 17:51:06 CDT

Hi,
> 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.
> The following tech specs was suggested to me:
>
> 2.4GHz Intel Core 2 4MB L2 Cache
> 4GB DDR2 PC2-5300
> 7200 rpm
> 256 MB NVIDIA GeForce 8600M GT
> Superdrive 8x dual layer
> iSight
> Apple Remote
> Airport Extreme
> Bluetooth 2.0
> Firewire 400 & 800
> (5.4 lbs)
This a great machine, but for the same price (slightly less), you'd get a
a desktop machine (also from apple and therefore definitely not cheap)
with
4 cores at 2.67 GHz, just for example.

> I'd like to note that the most important factor in my purchasing a computer
> would be processing time, given that I will be running
> computationally-intensive simulations.
...Are you really sure you want to do these on a laptop?
Laptops tend to run hot under heavy load; they are mobile (and built for
being mobile), but you definitely shouldn't move a laptop running a long
MD simulation around, they seem to be easily broken (though I seem to have
been lucky in this respect till now) and expensive to fix; Laptops
generally offer a bad "bang for the buck ration".

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.

...just my 0.02$
Andreas
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