[molpro-user] Molpro on a linux cluster

Rajesh Kalmady krajesh304 at gmail.com
Thu Jul 27 06:44:42 BST 2006


We are interested to run different kinds of jobs
(including CCSD(T), MRCI etc) in parallel 64-bit
Xeon based Linux cluster with a distributed
memory architechure (12 nodes, 24 nodes and so on).
Mainly we will use Gigabit Ethernet interconnect.

We would highly appreciate if any user let us know
about any benchmarking on this for a distributed memory
Linux Cluster system. Any feed back on triatomic molecule
to larger molecule with heavy atoms like Cu, Ag, Au etc
would be useful for us. Mainly we are interested to know the
scalability from single nodes to multinodes.

Looking forward to hearing from you,

K. Rajesh

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