Re: AMBER: Execution time discrepancies

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Thu, 17 Aug 2006 18:24:13 -0700 (PDT)

> A user on our system made some test runs with Amber 8 and found
> significant (50%) discrepancies in the execution times of her code. The
> two runs used identical decks. Is there a programmatic reason why this
> happened?

Were these wallclock times? Were CPU times reported in .out files
off by the same amount as wallclock? Was the computer dedicated to
the calculation, or shared? What architecture?

Bill
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Received on Sun Aug 20 2006 - 06:07:15 PDT
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