convert_to_seconds() {
    date -d "${1//_/ }" +%s
}

start_time=$(date +%Y-%m-%d_%H:%M:%S)
echo "Train start time: $start_time"

mace_run_train \
    --name="MACE_model" \
    --train_file="/users/PAS2490/marcusshen/cmame/Data/aimd/trainset_0ads.xyz" \
    --num_workers=16 \
    --valid_fraction=0.05 \
    --test_file="/users/PAS2490/marcusshen/cmame/Data/aimd/testset_0ads.xyz" \
    --config_type_weights='{"Default":1.0}' \
    --E0s='{1:-13.663181292231226, 6:-1029.2809654211628, 7:-1484.1187695035828, 8:-2042.0330099956639, 30:-500.123456789}' \
    --model="MACE" \
    --hidden_irreps='128x0e + 128x1o' \
    --r_max=5.0 \
    --batch_size=10 \
    --max_num_epochs=2 \
    --swa \
    --start_swa=1200 \
    --ema \
    --ema_decay=0.99 \
    --amsgrad \
    --restart_latest \
    --device=cuda \

end_time=$(date +%Y-%m-%d_%H:%M:%S)
echo "Train end time: $end_time"

# Calculate the time difference
start_seconds=$(convert_to_seconds "$start_time")
end_seconds=$(convert_to_seconds "$end_time")
time_difference=$((end_seconds - start_seconds))

echo "Training duration: $time_difference seconds"