LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] Data communication
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] Data communication

From: Notan Tah <tahnotan@...24...>
Date: Wed, 29 Nov 2017 14:04:22 +0530

Thanks for your reply. I want to know whether the communication via MPI is done in single precision or double precession in Molecular dynamics code.


On 29 November 2017 at 11:27, Andrew Jewett <jewett@...1937...> wrote:
I don't know if this answers your question, but atom positions, velocities, and forces in LAMMPS are represented using 64bit doubles.  (Check out "atom.h".  If you grep " float " *.h in the LAMMPS' "src/" directory, you'll see a few places where single precision floats are used, but that code seems to be specific for the calculation of long-range electrostatic interactions.)


On Tue, Nov 28, 2017 at 9:07 PM, Notan Tah <tahnotan@...24...> wrote:
Dear user,
                 I have an query about data communication in lammps.  In lammps code data communication did in single precession or double precession?
Thanks in advance for your time and consideration.


Check out the vibrant tech community on one of the world's most
engaging tech sites,!
lammps-users mailing list