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Re: [lammps-users] parallel implementation
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Re: [lammps-users] parallel implementation


From: Ray Shan <rshan@...1795...>
Date: Thu, 29 Jun 2017 17:30:00 +0000

Depends on what you want to add.  Parallelisms of many low-level parts are handled by high-level codes so most of the time you don’t need to worry about parallelism.  But it is a good practice to identify the existing class that most resembles your modification and examine what additional measures have been taken to consider parallelism.

Ray

On 6/29/17, 8:08 AM, "Quang Ha" <quang.t.ha.20@...24...> wrote:

Hi again,

Feels like I have been actively abusing the mailing list lately, apologise in advance...

I am trying to add my own classes (atoms, forces, bonds etc) and it came across my mind whether I need to worry about MPI implementation at all? Or should the base code of LAMMPS handle the MPI communicator for me?

Thanks,
Quang