Re: [AMBER] performance dependency on OS

From: <>
Date: Tue, 6 Mar 2012 05:56:09 -0500 (EST)


> Is amber performance (particularly sander) have OS dependency?
> Or performance dependency on OS is a general thing (software independent)?
> Best regards,
> Amir Abbasi

I don't think that the choice of BSD or any Linux distribution will affect
your performance in a noticeable way. It is more important to test for
different compilers and use a good MPI library. Do not use the mpi which
comes with your distribution, I would always compile a fresh one when
building amber.

Other then that, running the amber benchmarks with different compiles
should allow you to pick the best combination.


Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

AMBER mailing list
Received on Tue Mar 06 2012 - 03:00:04 PST
Custom Search