[gmx-developers] Optimizing Gromacs for Opteron

[Erik Lindahl]

Hi Mike,

I just wanted to let you know that I've started to write x86-64 
specific assembly loops - it's way easier than I first thought to 
translate them.

I don't think the 64bit performance is going to be significantly higher 
than 32bit compatibility mode(since the opteron isn't really emulating 
32bits, but running it natively), but it will enable native compiles 
and much larger systems.

It will appear in Gromacs 4 in a month or two...

I still haven't had time to check the problems we've had with previous 
athlons, but I'll try to start that the next week...

Cheers,

Erik