Dear Jim,
The power-of-two is required now for sander (amber7) since
we implemented the binary tree for
force and coordinate communications at each step.
It necessary for all parallel platforms now. It is a
change from amber6 in which there was no
such restriction. The improvement in performance
is significant enough that it was hardened into
the program rather than being an option.
Future versions may have this restriction eliminated.
Mike
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Physical mail: Dr. Michael F. Crowley
Department of Molecular Biology, TPC6
The Scripps Research Institute
10550 North Torrey Pines Road
La Jolla, California 92037
Electronic mail: crowley_at_scripps.edu
Telephone: 858/784-9290
Fax: 858/784-8688
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Received on Tue Aug 06 2002 - 10:31:50 PDT
