Hi all,
I am new to parallel programming… Can any one tell me how does LAMMPS do parallelization ?
I have a system of particles. I know there positions (Initial). I do DPD simulation .I have 2 or more processors.
So how deos it do parallelization ? Which .ccp file will tell me details?
Thanks ,
Prathyusha K.R.
Graduate Research Student,
IIT Madras,
Chennai,
India
Hi all,
prathyusha,
I am new to parallel programming.. Can any one tell me how does
LAMMPS do parallelization ?
I have a system of particles. I know there positions (Initial). I do DPD
simulation .I have 2 or more processors.
So how deos it do parallelization ? Which .ccp file will tell me details?
parallelization in LAMMPS happens basically on two levels.
a) the parallelization strategy and
b) the communication calls.
a) is outlined in the LAMMPS paper, but to program
in parallel you first have to understand b) for which
LAMMPS uses MPI. your best shot is to first go over
some MPI tutorials and pick a _small_ project to parallelize
(e.g. a simple LJ md code). then, and only then, you
should start worrying about adding parallel code to LAMMPS.
there may be ways to avoid using MPI calls and use the
infrastructure that LAMMPS provides, but that requires that
you identify existing code that does something similar to
what you want to do and then adapt it. but since you didn't
tell us what you want to do, it is hard to give specific advice.
cheers,
axel.
Hi Prathyusha,
Lammps uses domain decomposition technique. Please check Section_intro.txt under Doc. I reproduce below the relevant sentences from that document.