[gmx-users] Bench marks

Erik Lindahl erik at theophys.kth.se
Tue Aug 21 15:59:00 CEST 2001

On Tue, 21 Aug 2001, Y U Sasidhar wrote:

> I have seen the bench marks on the gromacs website. The performance of
> pentium systems is very impressive. I wonder if someone can comment on
> the configuration of these pentium systems. ( RAM, clock speed, Linux
> distribution used - Redhat 7.1 ? - etc ).

They are not special in any way; 800 MHz CPU frequency, and as far
as I can recall the bus speed is 133MHz. Sdram memory, the amount doesn't
matter much - gromacs only needs about 20 Mb for this type of systems.

We're using redhat, mixed versions from 6.1 to 7.1. On the older ones
we've updated the kernel ourselves. Any distribution should do, but you
definitely want a 2.4.x kernel to make use of the assembly loops.

Or, actually, the AMD 3DNow loops actually work on 2.2.x, but you do need
a never kernel for the Intel Pentium III SSE loops. Mdrun checks this when
it start and will tell you if your CPU supports the loops but your OS



Erik Lindahl, PhD                                erik at theophys.kth.se
Dept. Biophysical Chemistry, Groningen University, THE NETHERLANDS
Phone: +31 50 3634335    Fax: +31 50 3634800
(You can also reach me as lindahl at chem.rug.nl and lindahl at gromacs.org)
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