[gmx-users] performance question

[Andrei Neamtu]

Hello,

We are in the process of building a cluster on which GROMACS will be  
the main computational engine and I have a question about performance.  
We are not yet decided what to buy (we can not test them in advance).

Which configuration do you think will be better:
- 8 servers with 2 x dual core opterons 2220 (2,8 GHz) = 32 cores
or
- 4 servers with 2 x quad core Xeons 5335 (2.0 GHz) = 32 cores

Both configurations with Infiniband Interconnect. My opinion is that  
the  Xeon based should be the choice because of its 128 sse bus, but I  
don't know what to say about the clock speed difference.

Thank you,
Andrei