Re: amber-developers: GOTO libraries

From: David A. Case <>
Date: Tue, 11 Apr 2006 14:59:41 -0700

On Tue, Apr 11, 2006, Adrian Roitberg wrote:
> Has anyone tested the GOTO libraries for either sander or pmemd ?

I did testing, not much benchmarking. Sander doesn't really make that much
use of blas routines, so it's not a big deal, at least as I remember. I think
I tested on x86 and x86_64 platforms. But my best guess is that you must
have better things to do with your time....

:-) dac

p.s. for something like NAB, which makes extensive use of linear algebra,
these libraries are a big win. Same is likely to be true of nmode. But it
you profile the total time spent in blas routines in sander, it's a pretty
small number, so there is not much payoff in making that faster.

But of course, I have been wrong before....
Received on Wed Apr 12 2006 - 06:07:12 PDT
Custom Search