Subject: Re: G:Chemistry on beowulf systems?

From: "M. Nicklaus" <[email-masked]>
Date: Tue, 25 Nov 1997 09:51:29 -0500 (EST)

On Mon, 24 Nov 1997 15:26:14, Chris Harwell wrote:

>         Are there any chemists out there who are using a beowulf cluster 
> of pcs type of system for computing? 
>         We are trying to gather some information about software success 
> stories and hardware choices for chemistry applications.
> 
>         Has anyone used gamess, gaussian, or Wien FLAPW on such a system?
>         What hardware choices did you make (processor. motherboard, mem, 
> hard disk, ethernet/fast/atm)?
>         What compiler did you use (gcc f2c, g77)?
>         What OS/Distribution did you use (linux/ redhat or debian?)
>         Any hindsight tempered suggestions to someone considering building such a 
> system?

Yes.  Check out http://www.lobos.nih.gov.

Marc

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 Marc C. Nicklaus                        National Institutes of Health
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 Phone:  (301) 402-3111                  BETHESDA, MD 20892-4255    USA
 Fax:    (301) 496-5839    
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    Laboratory of Medicinal Chemistry, National Cancer Institute,  &
  Lab. of Structural Biology, Div. of Computer Research and Technology
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