[Beowulf] Beowulf Application in the Sciences

Kozin, I (Igor) I.Kozin at dl.ac.uk
Thu Sep 23 06:13:56 EDT 2004


Hi Timo,

there is a number of applications in chemistry which can
run on clusters. Usually they are either free or the fee is 
nominal for academics but the registration is typically required.
There are commercial applications too e.g. GAUSSIAN. 

Not exhaustive list:
CMPD, CHARMM, GAMESS-US and GAMESS-UK, MOLPRO, GAUSSIAN, 
DL_POLY, NAMD, CRYSTAL, AIMPRO, CASTEP, NWChem, H2MOL, PFARM.

Plus there are many engineering applications but my feeling
is that these tend to be more commercial for obvious reasons.
Also there are environmental models like POLCOMS or weather 
prediction models.

Hope it helps. 

Indeed it would be quite interesting if other people post
lists of other popular applications.

Igor Kozin

Computational Science & Engineering Dept.
CCLRC Daresbury Laboratory, UK

i. kozin at dl.ac.uk
http://www.cse.clrc.ac.uk/disco

> -----Original Message-----
> From: Timo Mechler [mailto:mechti01 at luther.edu]
> Sent: 23 September 2004 00:02
> To: beowulf at beowulf.org
> Subject: [Beowulf] Beowulf Application in the Sciences
> 
> 
> Hello all,
> 
> Through my studies of computer clusters so far, it has become 
> apparent to
> me that a lot of applications exist in both the Math and 
> Physics fields
> (e.g. different types modeling, for instance in high energy physics,
> etc.).  I'm now really wondering what kind of applications 
> exist in the
> other physical sciences such as biology and chemistry.  How 
> would clusters
> be benefical in these areas?  I would greatly appreciate if 
> someone could
> provide me with a few examples and some insight.
> 
> My other question is in regards to parallel programming.  Are 
> there some
> free parallel programs out there that one can download to run on a
> cluster, or are most of the programs run on clusters "homegrown"?
> 
> Thanks in advance for your help.
> 
> -Timo Mechler
> 
> -- 
> Timo R. Mechler
> mechti01 at luther.edu
> 
> 
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