Re: [AMBER] How many nodes to be used is best for AMBER parallel calculation?

From: Jason Swails <>
Date: Tue, 20 Dec 2011 15:35:10 -0500

You can look on for details.

Note, though, that results are strongly dependent on system configuration
and specifications (for instance, interconnect speed is crucial to parallel
scaling and performance). The best way to know for sure, though, is to run
short benchmarks yourself on your system. This is actually what the core
developers themselves do since performance is so hardware-dependent.


On Tue, Dec 20, 2011 at 9:54 AM, Catein Catherine <>wrote:

> Dear Sir/Madam,
> I used to run sander with 8 nodes on my supercomputer facilities. I am
> wonder if we can effectively scale up to use 16 or even 32 nodes for amber
> calculations. I understand it is machine dependent, I am looking for a
> guidelines to start with.
> I am sure users or Case's research team have done preliminary tests.
> Where can I find this official test results?
> Best regards & many thanks,
> Catherine
> _______________________________________________
> AMBER mailing list

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
AMBER mailing list
Received on Tue Dec 20 2011 - 13:00:04 PST
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