[lammps-users] compute in a multi-core enviroment

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1

Hi,

Can LAMMPS compute in a multi-core environment? in other words, can LAMMPS use up all the cores/processors in the compute nodes during parallel computing?

Thank you.

Regards,
Christopher

2

yes - if you have installed MPI, then when you
run LAMMPS (or any other MPI code) on a multi-core
box, it will treat each core as a "processor" in MPI-speak.

Steve

3

yes - if you have installed MPI, then when you
run LAMMPS (or any other MPI code) on a multi-core
box, it will treat each core as a "processor" in MPI-speak.

...and that is also the most efficient way to use LAMMPS
on a single node or only a few nodes.

if you are running on a larger machine with multi-core
processors, you should seriously consider using the
USER-OPENMP module in my LAMMPS-ICMS branch.

it is kept mostly in sync with the regular LAMMPS version,
but does perform better and scale farther on multi-core nodes.
you can find more details here: http://goo.gl/oKYI

cheers,
    axel.