[lammps-users] Does LAMMPS need MPI to run in parallel on a single workstation?

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1

I know that LAMMPS uses MPI for parallel computing
with clusters. Is MPI necessary, though, to take
advantage of multiple processors of a single workstation?

2

james,

I know that LAMMPS uses MPI for parallel computing
with clusters. Is MPI necessary, though, to take
advantage of multiple processors of a single workstation?

yes. you cannot compile LAMMPS without MPI. you even have to
use an MPI 'stub' libary to compile a serial executable.

the effort to compile LAMMPS is essentially the same.

axel.

3

--- Axel Kohlmeyer <[email protected]>
wrote:

yes. you cannot compile LAMMPS without MPI. you even
have to
use an MPI 'stub' libary to compile a serial
executable.

I know that a stub MPI is needed. What I wanted to
know was if a real MPI was needed to take advantage of
multiple processors on a single machine.

4

--- Axel Kohlmeyer <[email protected]>
wrote:

> yes. you cannot compile LAMMPS without MPI. you even
> have to
> use an MPI 'stub' libary to compile a serial
> executable.

I know that a stub MPI is needed. What I wanted to
know was if a real MPI was needed to take advantage of
multiple processors on a single machine.

yes!

5

There are no shared-memory parallelism constructs in LAMMPS,
so if you have one node with multiple procs, or one proc with
multple cores, you need to use MPI all the way down
to the individual proc or core to take advantage of them.

Steve