[gmx-users] Please give me advises for the computing system.

Seungpyo Hong sp1020 at gmail.com
Thu Feb 26 08:23:21 CET 2009

Dear Gromacs users,

I am planning to buy a computer system for MD.
But don't know much about hardware.
Help me please!

Currently we have three candidates with following list of CPUs:

1. Core2 Quad (Q9550)
2. Xeon (E5440) x 2 (2-way SMP system)
3. Core i7 (i7-920)

We usually perform MD with 4 ~ 8 nodes. (preferentially 8 nodes, 1 node = 1

Then, which system will you recommend?

Additionally, I have two questions.

Question 1. <Whether 2-way SMP has great advantage?>
Does Core 2 Quad or Core i7 connected by Gigabit Ethernet work well when 8
nodes are used?

Question 2. <Comparison between Core 2 Quad and Core i7>
Does Core i7 work better than Core 2 Quad for Gromacs? (I heard that i7 work
well in some simulation but not sure of Gromacs)

Thank you a lot!

Seungpyo Hong

'God used beautiful mathematics in creating the world.'
-Paul Dirac
'At the same time, he allowed interaction among objects.'
-Seungpyo Hong

Seungpyo Hong
Master student at PBIL(Protein BioInformatics Lab.) in KAIST, Daejeon Korea
Tel. (82)-18-372-2468
sphong_ at kaist.ac.kr
sp1020 at gmail.com
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