Hi Olawale,
Your setup is confusing tasks within an openmp thread and mpi ranks. ATS doesn’t make use of openmp, just MPI, for parallelism. So definitely drop the “cpus-per-task” and the environment variables about OMP.
If you want to run on 48 cores per node, over 7 nodes (336 mpi ranks in total) you could specify this in a couple of ways:
#SBATCH --ntasks=336
Slurm will distribute these across available nodes automatically unless you specify otherwise.
If you want to control this (i.e., in the case you chose to run on few cores than each node has to get better performance from the memory system), you can specify –nodes an –ntasks-per-node, like this
#SBATCH --nodes=7
#SBATCH --ntasks-per-node=48
Then your srun command should specify the total number of mpi ranks,
srun -n 336 ats
Hope that helps, good luck, David
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