[gmx-users] RE: Gromacs benchmark --poor performance on XEON machine

[Shejith P.P]

Hi,
 Can anyone  give me the detailed installtion procedure for gromacs for parallel environment.

Regards
Shejith 


 -----Original Message-----
From: 	Shejith P.P [mailto:shejithp at hclinsys.com] 
Sent:	Monday, October 20, 2003 11:01 AM
To:	'gmx-users at gromacs.org'
Subject:	Gromacs benchmark --poor performance on XEON machine

Hi,
    I am running gromacs on P4 Xeon machine 2.4GHz. ( 1GB memeory ) - I am using a dual CPU machine.

I have installed fftw(2.1.3) and gromacs (3.1.4 ) on my machine and I am running benchmarking using D.DPPC 
   I have enabled hyperthreading and I was running 4 LAM on my machine.
 And I hav erun gromacs for 4 CPUS and executed the mdrun command for 4 nodes. 

But I am getting a very low value compared to the one I have seen in gromacs site.   I got Mnbf/s of 45 where in website It was 286 for dula xeon 2.2GHz.
   I am afraid whether I am making any mistakes in installton itself....can enyone send me the detailed installtion procedure for gromacs  for  parallel environment.


TIA
Regards
Shejth