[gmx-users] Scaling on SGI Altix 3700 Bx2

[Mark Abraham]

Hi,

I saw the posting to the list regarding gromacs scaling on the new APAC 
SGI Altix 3700 Bx2 (http://nf.apac.edu.au/facilities/ac/hardware.php). 
This is Itanium 2 hardware, now running the appropriate assembly routines.

After 3.3_beta_20050202 was installed late last week, I ran the gromacs 
3.2.1 benchmarks and had the following (numbers are ns/day, as on the 
Gromacs benchmark web page):

Single processor:
Villin	Lys/Cut	Lys/PME	DPPC	Poly-CH2	Average	Rate
9576	2009	1646	183	4909		403	2.02

Multiple processor on DPPC (which is cut-off electrostatics, of course):
1	2	4	8	16	32
183	380	721	1464	2778	4277
100%	104%	98.53%	100.12%	94.97%	73.11%

I remembered to use -sort and -shuffle with grompp :-)

Mark