| #!/usr/bin/env bash |
| set -euo pipefail |
|
|
| SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)" |
| ROOT_DIR="$(cd "${SCRIPT_DIR}/.." && pwd)" |
|
|
| CSV_PATH="${1:-To Be Added}" |
| BASELINE="${2:-unguided}" |
| DEVICE="${3:-cuda:4}" |
| OUTPUT_DIR="${4:-${SCRIPT_DIR}/outputs}" |
| NGPUS="${5:-1}" |
| MASTER_PORT="${6:-29500}" |
|
|
| if [ "$NGPUS" -gt 1 ]; then |
| echo "Running multi-GPU inference with $NGPUS GPUs (master port: $MASTER_PORT)" |
| LAUNCH_DEVICE="cuda" |
| python -m torch.distributed.run \ |
| --nproc_per_node="$NGPUS" \ |
| --master_port="$MASTER_PORT" \ |
| "${SCRIPT_DIR}/sampling_setup.py" \ |
| --ckpt_path "${ROOT_DIR}/pretrained/peptune-pretrained.ckpt" \ |
| --device "${LAUNCH_DEVICE}" \ |
| --baseline "${BASELINE}" \ |
| --targets_csv "${CSV_PATH}" \ |
| --batch_size 8 \ |
| --num_steps 128 \ |
| --num_batches 1 \ |
| --output_dir "${OUTPUT_DIR}" |
|
|
| export OUTPUT_DIR BASELINE |
| python - <<'PY' |
| import glob |
| import os |
| import pandas as pd |
|
|
| out_dir = os.environ["OUTPUT_DIR"] |
| baseline = os.environ["BASELINE"] |
|
|
| def merge(pattern, output_name): |
| files = sorted(glob.glob(os.path.join(out_dir, pattern))) |
| if not files: |
| return |
| dfs = [] |
| for path in files: |
| try: |
| dfs.append(pd.read_csv(path)) |
| except Exception as exc: |
| print(f"[merge] skip {path}: {exc}") |
| if not dfs: |
| return |
| merged = pd.concat(dfs, ignore_index=True) |
| merged.to_csv(os.path.join(out_dir, output_name), index=False) |
| print(f"[merge] wrote {output_name} from {len(files)} shards") |
|
|
| merge(f"{baseline}_samples_rank*.csv", f"{baseline}_samples.csv") |
| merge("batch_times_rank*.csv", "batch_times.csv") |
| merge(f"{baseline}_metrics_rank*.csv", f"{baseline}_metrics.csv") |
| PY |
| exit 0 |
| fi |
|
|
| python "${SCRIPT_DIR}/sampling_setup.py" \ |
| --ckpt_path "${ROOT_DIR}/pretrained/peptune-pretrained.ckpt" \ |
| --device "${DEVICE}" \ |
| --baseline "${BASELINE}" \ |
| --targets_csv "${CSV_PATH}" \ |
| --batch_size 8 \ |
| --num_steps 128 \ |
| --num_batches 1 \ |
| --output_dir "${OUTPUT_DIR}" |
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