On 15/12/2010 1:03 PM, Tom Dupree wrote:
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'm going to presume you mean GROMACS.
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?
Since you are not running with MPI parallelism, no.
Specifically does Gromos prefer a particular architecture? (INTEL/AMD)
No. Any chip with SSE or SSE2 is fine.
I understand there is now some GPU computing support with Gromos, are
there any problems using consumer grade cards? (GeForce GTX 460/480)
The manual lists some compatible cards.
Is Gromos happier in a particular flavour of Linux, given we will be
running on a desktop?
No. Some distros do have GROMACS available via their package managers
(usually in their "extras" section).
Mark
Thanks for your time in looking at these (noobish) questions.
Tom
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