Slurm Script for Multi Node Run

From: Zeki Zeybek (zeki.zeybek_at_bilgiedu.net)
Date: Sun Apr 16 2017 - 11:42:41 CDT

Hi !

In the server I am using each node have 15 cores in it and each user is allowed to use at most 96 cores. My slurm script for single node works without any error but I just cannot construct the proper job script to use 80 cores for instance.

My current script is;

#!/bin/sh
#SBATCH --partition=NAME
#SBATCH --account=NAME
#SBATCH --job-name=parallel_job
#SBATCH --mail-type=ALL
#SBATCH --mail-user=some_at_someedu.net
#SBATCH --nodes=10
#SBATCH --ntasks=10
#SBATCH --cpus-per-task=8
#SBATCH --time=sometime
#SBATCH --output=parallel_%j.out

Required Libraries and Modules

echo "SLURM_NODELIST $SLURM_NODELIST"
echo "NUMBER OF CORES $SLURM_NTASKS"
echo "Running program on $SLURM_CPUS_ON_NODE CPU cores"

mpirun $NAMD_DIR/namd2 namd_input.conf > namd_multinode_output.log

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