AMBER Archive (2005)

Subject: AMBER: Sander questions on dual-processor Sun with MPICH

From: Joe Nolan (spaceace13666_at_yahoo.com)
Date: Tue Mar 08 2005 - 14:37:50 CST


Dear amber community,
    I'm happy to report that installation of the Amber8 package has
been successful on our Sun blade 2500, which runs dual UltraSPARC IIIi
processors.
    However, installation was set up simply as SPARC as the
environment, and I was wondering if it's possible to reinstall (only)
Sander and Pmemd to take advantage of our full processing capability?
    During the reinstall, or if a full reinstall is warranted, which
environment should be chosen? We currently have MPICH1.2.6 installed.
As always, Thank you for your time as any and all help and suggestions
are greatly appreciated!
-Msgr. E. Joseph Nolan IV

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