[Beowulf] Parallel software for chemists

Mikhail Kuzminsky kus at free.net
Fri Dec 12 13:28:19 EST 2008


In message from "Dr Cool Santa" <drcoolsanta at gmail.com> (Wed, 10 Dec 
2008 19:21:43 +0530):
>Currently in the lab we use Schrodinger and we are looking into 
>NWchem. We'd
>be interested in knowing about software that a chemist could use that 
>makes
>use of a parallel supercomputer. And better if it is linux.

To say shortly, practically all the modern software for molecular 
modelling calculations can run "in parallel" on Linux clusters.

Mikhail Kuzminsky
Computer Assistance to Chemical Research Center
Zelinsky Institute of Organic Chemistry RAS
Moscow 

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