[gmx-users] A SGI Altix 3700 system with 512 Itanium 2 processors and 1Terabyte of memory

[Mark Abraham]

Naser, Md Abu wrote:
> Hi All,
> 
> A double precision version of gromacs (3.2.1) was installed on A SGI 
> Altix 3700 . Everything else is fine but when I run mdrun_d it gives me 
> following error. Can any one advise me where might be the problems?

Hi,

I posted about two months back about single precision gromacs 3.2.1 on 
an Altix 3700B running pretty dismally - slower than a new Dell 
Dimension Pentium 4. That gromacs version doesn't have optimized inner 
loops for Itanium 2 chips, but current CVS versions do & the speedup on 
single precision was appreciable. Both single and double versions of 
3.3beta CVS versions work on the machine I use. I'd suggest getting a 
version upgrade and hoping the problem goes away :-)

Mark