[gmx-users] Computer configuration

Cintia C. Vequi-Suplicy cintia at if.usp.br
Wed Apr 10 16:04:24 CEST 2013


I would like to ask, what is a good computer configuration for running 

Which is a good CPU and a good GPU? How much RAM would be necessary?

Is it really necessary to have InfiniBand between the different 
computers each one with  1CPU+1GPU to maximize performance?

It would really be nice to achieve something like 40-50ns/day with a 
system with ~150000 atoms.

Thanks so far,

Cintia C. Vequi-Suplicy, PhD
Biophysics Group
Physics Institute
São Paulo University

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