Problem running LAMMPS with SLURM

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1

Hi Christophe,

We use SLURM too, have you tried

--ntasks-per-node 8 instead of --ntasks

does the trick for me.

2

Hi Carsten,

I tried but it is not that. Same thing, it launches 8 times the same calculation. Maybe Axel is right and there is some incompatibility between the MPI library I used to compile LAMMPS and the one in the SLURM environment.
Anyway, would you be so kind to send me your SLURM script to see if there are other differences with mine ? Many thanks in advance.

Saludos,
Christophe