amber-developers: amber performance

From: Scott Brozell <>
Date: Wed, 28 Feb 2007 14:24:00 -0800


Today Kent Milfeld from TACC asked me about amber performance because
he saw that there is work underway for charmm's performance.
I told him about pmemd (which he had never heard of), namd, gromacs, etc.
He was very receptive to the idea that namd has great advertising
and might not be targeting the best science.

This follows on the discussion we had at the amber meeting regarding
a publication on good vs dubious science, pmemd, single vs double precision,
scaling vs throughput, etc. I hope that the ball will be rolling soon.
And I'm happy to help out.

Received on Sun Mar 04 2007 - 06:07:14 PST
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