Re: [AMBER] Introducing the exciting next step in MD software development

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Fri, 1 Apr 2016 06:34:19 -0700

Thanks for the download link - the code is indeed compact, and runs
twice as fast as tleap and xleap combined!

Regards,
Bill

On 4/1/16 3:32 AM, Jason Swails wrote:
> Hi everyone,
>
> I'm excited to announce the next generation of molecular dynamics software
> suites, which is the result of a complete rewrite of all core routines.
> The impetus behind this effort is Google's new, highly concurrent
> programming language called Go. Sporting lightweight coroutines
> (affectionately called goroutines in the language) with resizeable stacks
> starting at ~2 KB, there is virtually no limit to the parallelism attained
> with this new technology.
>
> Unlike traditional threading models--like POSIX threads (pthreads) and
> OpenMP--goroutines take up little space in memory, meaning that this
> rewrite will be necessary to take advantage of the new CPU architecture
> coming from chip manufacturers that will put hundreds of thousands of CPU
> cores in a single commodity workstation.
>
> Originally rolled out for the Apple operating system and hardware, we are
> calling this new software GoMacs. Gomacs will lead our field into the
> future of computational molecular modeling, allowing us to run simulations
> on the millisecond timescale within just a few days.
>
> Future plans for Gomacs include a Windows port that will make it possible
> to study entire viruses at an unprecedented level of detail.
>
> Wishing you all success in your upcoming research, and an enjoyable weekend,
> Jason
>


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Received on Fri Apr 01 2016 - 07:00:03 PDT
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