code/probes/cluster_scripts/run_explore_bio.sh

#!/bin/bash
#SBATCH --job-name=explore_bio
#SBATCH --partition=nova
#SBATCH --gres=gpu:a100:1
#SBATCH --mem=64G
#SBATCH --cpus-per-task=8
#SBATCH --time=02:00:00
#SBATCH --output=bert_v6_contrastive/analysis/probing_analysis/slurm_logs/explore_bio_%j.out
#SBATCH --error=bert_v6_contrastive/analysis/probing_analysis/slurm_logs/explore_bio_%j.err

export PYTHONUNBUFFERED=1

echo "========================================"
echo "Exploratory Biology Probes"
echo "Job ID: $SLURM_JOB_ID"
echo "Node:   $(hostname)"
echo "Start:  $(date)"
echo "========================================"

source activate glycanml 2>/dev/null || conda activate glycanml

python3 -c "
import sys, torch
print('Python:', sys.executable)
print(f'PyTorch: {torch.__version__} CUDA: {torch.cuda.is_available()}')
if torch.cuda.is_available():
    print(f'{torch.cuda.get_device_name()}, {torch.cuda.get_device_properties(0).total_memory // 1024**2} MiB')
"

python3 -u bert_v6_contrastive/scripts/probe_exploratory_biology.py --model both

echo "Completed: $(date)"
ls -la bert_v6_contrastive/analysis/probing_analysis/exploratory_bio_v5/ 2>/dev/null
echo "---"
ls -la bert_v6_contrastive/analysis/probing_analysis/exploratory_bio_v6/ 2>/dev/null