Thank you Jason!
We were actually having a discussion last night at a departmental dinner
about how far in front of the MD field AMBER was because of the ff14SBgrav
force field. I'm so excited about the possibility of adding faster and
larger simulations on top of this.
Cheers!
Brent
On Fri, Apr 1, 2016 at 6:55 AM, ABEL Stephane 175950 <Stephane.ABEL.cea.fr>
wrote:
> This is very exciting news. When the J. Swails' team plan to launch the
> first release of this awasome program?
>
> ;)) Poisson d'avril
>
> S
>
> --------------------------------------------------------------------
> Stéphane Abel, Ph.D.
>
> CEA Saclay DSV/IbItec-S/SB2SM & CNRS UMR 9198
> Institut de Biologie Intégrative de la Cellule (I2BC)
> Bat 528, Office 138C
> Gif-sur-Yvette, F-91191 FRANCE
> Phone (portable) : +33 6 49 37 70 60
>
> ________________________________________
> De : Jason Swails [jason.swails.gmail.com]
> Envoyé : vendredi 1 avril 2016 12:32
> À : AMBER Mailing List
> Objet : [AMBER] Introducing the exciting next step in MD software
> development
>
> 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
>
> --
> Jason M. Swails
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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> AMBER mailing list
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
_______________________________________________
Brent P. Krueger.....................phone: 616 395 7629
Professor.................................fax: 616 395 7118
Hope College..........................Schaap Hall 2120
Department of Chemistry
Holland, MI 49423
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Received on Fri Apr 01 2016 - 04:30:02 PDT
