AMBER Archive (2003)

Subject: Re: AMBER: Implicit precision in sander vs architecture

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Fri Oct 17 2003 - 13:10:46 CDT

The same precision can yield different results owing to different
implementations of floating-point arithmetic. Additionally when
calcs are done in parallel different orders of execution of arithmetic
operations based on network indeterminacy can theoretically yield
different numbers for different runs on the same machine.

Bill Ross

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