Scalability of CHARMM on various architectures

[Greg Lindahl]

> I would appreciate contact from anyone who has run CHARMM on a cluster
> and has considered the best way to make this code scale better.  From
> anyone, I would appreciate general guidance on several issues:
>
>  * If we go with pentium II/III processors, how far is Myrinet likely to
>    permit us to scale these calculations?
>
>  * With Myrinet, would alpha nodes tend to scale any better than
> pentium nodes?

I only have *old* Alpha/Myrinet numbers, but they're considerably better on
scaling than Intel ethernet, not that this is a surprise.

Michael Crowley was supposed to send me a new copy of the code so I could do
a complete comparison, but it hasn't happened yet.

http://legion.virginia.edu/centurion/Applications.html

-- greg