File size: 554 Bytes
3967f69 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 | #!/bin/bash
#SBATCH -J diffdock_infer
#SBATCH -p largedev
#SBATCH -N 1
#SBATCH --ntasks-per-node=1
#SBATCH --gres=dcu:1
#SBATCH --cpus-per-task=8
#SBATCH --time=02:00:00
#SBATCH -o slurm-%j.out
#SBATCH -e slurm-%j.err
set -euo pipefail
echo "START TIME: $(date)"
echo "SLURM_JOB_ID: ${SLURM_JOB_ID:-none}"
echo "HOSTNAME: $(hostname)"
module purge || true
module load sghpc-mpi-gcc/25.8 || true
SCRIPT_DIR=$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)
mkdir -p "${SCRIPT_DIR}/../outputs"
srun bash "${SCRIPT_DIR}/infer.sh"
echo "END TIME: $(date)"
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