[gmx-users] Benchmarks, two questions

[Pim Schravendijk]

Dear List,

I still have two questions concerning the opteron benchmarks.

- How come the 32 bit gromacs binaries score relatively so well on the 64 
bit machines. Is there some special way in which the processor treats the 
32 bit operations?

- Does David or anybody else have the compiler options to get the highest 
performance out of a gromacs install on the opteron. The 386 rpm did ok 
but I use some additions to the mdrun code so I really want to be able to 
make that install as good as possible.

Greetings, Pim

--
Pim Schravendijk - PhD Student
Max Planck Institute for Polymer Research
http://www.mpip-mainz.mpg.de/~schraven/

On Tue, 18 May 2004, Pim Schravendijk wrote:

> And here are my results, I added the ones of David from November 2003
> 
> System	Mac(1)	Xeon(2)	Optn(3)	Optn(4)
> -------------------------------------------
> Villin	11220	9267	8807	9340
> lzm		3048	2878	1801	2541
> lzmpme	1438	1529	1281	1600
> dppc		143 	151	173	185
> polymer 	3306	3945	3787	4192
> 
> (1) With espresso running on other node during most runs.
> (2) Using the intel compiler.
> (3) With two runs at one 2-cpu node for most runs; using the 386 rpm 
> binary.
> (4) Run with probably better compilation by David v.d. Spoel (gromacs 
> developer).