Subject: RE: Re: Alpha based computers in computational chemistry

From: "Bill Hayden" <[email-masked]>
Date: Wed, 3 Feb 1999 19:31:54 -0500

Our software, MOE - the Molecular Operating Environment, is the only
platform independent software on the market.  It covers the full spectrum of
drug discovery and runs on SGI, Sun, WinNT, Win 95 and, of particular
interest to your questions, DEC Alpha NT.

I invite you to visit our site at:  http://www.chemcomp.com

Bill

[email-masked]

-----Original Message-----
From:	[email-masked] [mailto:[email-masked]]
On Behalf Of John Marelius
Sent:	February 2, 1999 5:40 AM
To:	[email-masked]
Subject:	CCL:Re: Alpha based computers in computational chemistry

On Fri, 29 Jan 1999 [email-masked] wrote:

>
> Hello,
>     In the context of individual research laboratories looking for
> workstations or low to mid-range compute servers, are alpha based
computers
> used much in computational chemistry laboratories and if so how?

In the group I work in we use Alpha workstations with WindowsNT for
computational chemistry, mostly running our own molecular dynamics
software. The Alpha + WindowsNT combination has proven to be a powerful
combination of a high-performance number-cruncher and a desktop computer
for word processing (MS Office etc) in one box.
We find systems based on the Alpha processor not only to be the fastest
but also to give the highest performance/price ratio. Systems based on the
new generation of Alpha chips ("21264") are starting to become available,
promising another large jump in performance.

WindowsNT still has some drawbacks as a compute server operating system.
* A third-party batch queue package is needed.
* It's not a (simultaneous) multi-user system although remote login by
telnet is possible (although sometimes problematic) by means of additional
software.

John Marelius

+-----------------------------------------------------------------+
|          John Marelius                                          |
|          Dept. of Molecular Biology, Uppsala University         |
| E-mail:  [email-masked]                                  |
| address: Box 590, S-751 24 Uppsala, Sweden                      |
+-----------------------------------------------------------------+

---
Administrivia: This message is automatically appended by the mail exploder:
[email-masked]: Everybody | [email-masked]:
Coordinator
[email-masked]: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73
Anon. ftp: www.ccl.net   | [email-masked] -- archive search
             Web: http://www.ccl.net/chemistry.html
---