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Re: [lammps-users] Accelerating ReaxFF simulations
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Re: [lammps-users] Accelerating ReaxFF simulations


From: Giacomo Fiorin <giacomo.fiorin@...24...>
Date: Sun, 27 Aug 2017 11:23:08 +0200

Kokkos has a relatively recent implementation of ReaxFF.

On Sun, Aug 27, 2017 at 8:21 AM, Rajesh <creativeidleminds@...24...> wrote:
Dear lammps user
I am running reaxff simulations with openmpi with 20-35 -np processors with 3000-4000 atoms. Still I feel that simulations are rather slow. Is there  any way to accelerate them like some accelerator package? 

thanks

Rajesh

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--
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD