enqueue_compss --provenance=FULL.yaml --summary --project_name=bsc19 --qos=gp_debug --num_nodes=2 --exec_time=10 --worker_working_dir=/home/bsc/bsc019057/Tutorial_2024/lysozyme_in_water/. --tracing=false --graph=true --log_level=off --pythonpath=/home/bsc/bsc019057/Tutorial_2024/lysozyme_in_water/./src/ --lang=python /home/bsc/bsc019057/Tutorial_2024/lysozyme_in_water/./src/lysozyme_in_water_full.py config/ dataset_small/ output/
