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VC for Molecular dynamics

Matthias Kretz [please enable javascript to see the address]
Mon Nov 7 21:47:25 CET 2016


Hi Bert,

thanks for the feedback! That's pretty cool!

BTW, if you (will) publish(ed) those results, feel free to send me the details 
and I'll reference it for others to find example uses. (Which reminds me, I 
should set up such a page already...)

Cheers,
  Matthias

On Montag, 7. November 2016 14:26:39 CET Tijskens Engelbert wrote:
> Dear all,
> 
> I just did a Vc implementation of a Molecular Dynamics code of a system
> interacting through a Lennard-Jones potential. This was 30 % faster that
> the original system (fortran 90, auto-vectorized). Many thanks for the good
> work.
> 
> kindest regards - bert
> 
> Dr [Engel]bert Tijskens
> HPC Analyst/Consultant
> 
> Flemish Supercomputer Center vscentrum.be<http://vscentrum.be>
> HPC core facility CalcUA uantwerp.be/calcua<http://uantwerp.be/calcua>
> Computational mathematics
> www.uantwerpen.be/en/rg/cma<http://www.uantwerpen.be/en/rg/cma>
> 
> University of Antwerp
> Middelheimlaan1 G.309, B-2020 Antwerp, Belgium
> 
>[please enable javascript to see the address][please enable javascript to see the address]>
> ++32 3 265 3879


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 Dr. Matthias Kretz                                https://kretzfamily.de
 GSI Helmholtzzentrum für Schwerionenforschung             https://gsi.de
 SIMD easy and portable                     https://github.com/VcDevel/Vc
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