AMBER Archive (2004)

Subject: RE: AMBER: FW: two processor amd 64 bit pc

From: Ross Walker (
Date: Mon Dec 06 2004 - 21:17:41 CST

Hi Spero,

I would like to know whether I will have difficulty in mounting Amber on a 2
processor 64 bit AMD PC.


What size hard drives would you recommend.


I plan on getting 1-2 Gigs of memory.


You should not have any problems, just make sure you install all of the
development tools and libraries. You will need to get hold of a fortran 90
compiler such as Portland group. Intel compilers work in 32 bit mode on
opterons, I don't know how the performance compare though.


As for disks you should go for the biggest you can get. MD runs can generate
a LOT of data (many many gb) so you want big disks. However, the bottle neck
in such simulations is NOT disk speed but floating point speed. Thus my
advice, if you only plan on running Amber or similar codes, is to go for the
cheapest BIG disks you can get. Don't bother with expensive SCSI drives etc
as you won't get any performance benefit in a MD simulation.


I hope this helps.

All the best



|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- |
| <> | PGP Key
available on request |



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