[gmx-developers] Parallelism in trajectory analysis tools

[Schulz, Roland]

Hi,

We done some work on this at UT/ORNL in 2012/13. You find this at 
https://gerrit.gromacs.org/c/1316/ . As far as I know no one has done anything since.

Roland

> -----Original Message-----
> From: gromacs.org_gmx-developers-bounces at maillist.sys.kth.se
> [mailto:gromacs.org_gmx-developers-bounces at maillist.sys.kth.se] On
> Behalf Of Kutzner, Carsten
> Sent: Thursday, August 9, 2018 7:46 AM
> To: <gmx-developers at gromacs.org> GROMACS development <gmx-
> developers at gromacs.org>
> Subject: [gmx-developers] Parallelism in trajectory analysis tools
> 
> Hi,
> 
> what is the status of using any type of parallelism to speed up trajectory
> analysis tools?
> 
> I guess OpenMP should be no problem, but what about MPI?
> 
> What are the plans here / what would be preferred in future patches?
> 
> Thanks!
>   Carsten
> 
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