[gmx-users] Appropriate (desktop) hardware for Gromacs

Tom Dupree t.dupree at unsw.edu.au
Wed Dec 15 03:03:34 CET 2010


Greetings all,

We are looking at setting up Linux desktop in our lab for setting up some simulations to be run externally, as well some short simulations.

I am new to Linux and Gromos.

I have done some reading of the gmx-users list archive and have a few questions.

I was wondering if there is anything in particular to avoid/choose in terms of hardware for such a system?
Specifically does Gromos prefer a particular architecture? (INTEL/AMD)
I understand there is now some GPU computing support with Gromos, are there any problems using consumer grade cards? (GeForce GTX 460/480)
Is Gromos happier in a particular flavour of Linux, given we will be running on a desktop?

Thanks for your time in looking at these (noobish) questions.

Tom
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