#!/bin/bash -l
#SBATCH --job-name=my-soft
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=16
#SBATCH --mem=60G
#SBATCH --time=12:00:00
#SBATCH --constraint=[skylake|haswell]
#SBATCH --output my-soft-job_%j.out
#SBATCH --error my-soft-job_%j.err
#SBATCH --mail-user=myemail@....uni-hannover.de
#SBATCH --mail-type=BEGIN,END,FAIL

# Change to work dir
cd $SLURM_SUBMIT_DIR

# Load modules
module load my_necessary_modules

# run my_soft
export LD_LIBRARY_PATH=$HOME/sw/$ARCH/my-soft/3.1/install/lib:$LD_LIBRARY_PATH
srun $HOME/sw/$ARCH/my-soft/3.1/install/bin/my-soft.exe --input file.input