On Sun, 19 Jun 2016 09:15:34 -0700
Achi Hamza <h16m...@gmail.com> wrote:

> Hi everyone,
> 
> I set a lab consists of 5 simple nodes (1 head and 4 compute nodes),
> i used SLURM 15.08.11, OpenMpi 1.10.2, MPICH 3.2, FFTW 3.3.4 and
> LAMMPS 16May2016.

Did you use OpenMPI _or_ MPICH?

Two observations on the below behavior:

* a 17 second runtime could indicate a very small problem that doesn't
  scale past a few ranks.

* Your mpi launch could screw up the placement/pinning of ranks

/Peter K
 
> After successful installation of the above i conducted some tests
> using the existing examples of LAMMPS. I got unrealistic results, the
> time execution goes up as i increase the number of nodes !
> 
> mpirun -np 4 lmp_openmpi < in.vacf.2d
> *Total wall time: 0:00:17*
> 
> mpirun -np 8 lmp_openmpi < in.vacf.2d
> *Total wall time: 0:00:23*
> 
> mpirun -np 12 lmp_openmpi < in.vacf.2d
> *Total wall time: 0:00:28*
> 
> mpirun -np 16 lmp_openmpi < in.vacf.2d
> *Total wall time: 0:00:33*
> 
> 
> interestingly, *srun* results are worse than mpirun:
> 
> srun --mpi=pmi2 -n 16 lmp_openmpi < in.vacf.2d
> 
> *Total wall time: 0:05:54*

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