#!/bin/bash
#SBATCH -p gpu # Partition
#SBATCH -N 1 # Number of nodes
#SBATCH --gpus-per-node=4 # Number of GPU card per nodecards
#SBATCH --ntasks-per-node=4 # Number of MPI processes per node
#SBATCH --cpus-per-task=16 # Number of OpenMP threads per MPI process
#SBATCH -t 5-00:00:00 # Job runtime limit
#SBATCH -A ltXXXXXX # Billing account
# #SBATCH -J <JobName> # Job name
module purge
# --- Load necessary modules ---
module load <...>
module load <...>
# --- Add software to Linux search paths ---
export PATH=<software-bin-path>:${PATH}
export LD_LIBRARY_PATH=<software-lib/lib64-path>:${LD_LIBRARY_PATH}
# export PYTHONPATH=<software-python-site-packages>:${PYTHONPATH}
# source <your-software-specific-script>
# --- (Optional) Set related environment variables ---
# export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} # MUST specify --cpus-per-task above
# --- Run the software ---
# srun <srun-options> ./<software>
# or
# ./<software> |