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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Received on Fri Apr 01 2016 - 04:00:04 PDT
