On Thu, May 06, 2004, Craig TOEPFER wrote:
>
> On the Amber website, there are some benchmark results from various
> machines/compilers. The results are listed as "ps per day". I am not
> sure how to compute this value from the output produced by these set of
> benchmarks that are included in the Amber8 distribution. Can you help
> me or point me in the right direction.
The fourth "Note" at the top of the benchmark page gives the conversion:
The value of ps per day = 86.4/(seconds per step), for a time step of 1 fs.
Double this value if you plan to use 2 fs time steps.
The "jac" benchmark uses a 1 fs time step, for example, and it is 1000 steps
long. So you figure out your seconds per step, and use the above equation.
....good luck...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Thu May 06 2004 - 19:53:01 PDT
