#!/usr/bin/env python3 """ run_folds_parallel.py — parallel orchestrator for run_kfold.py. Each fold of run_kfold.py is small enough to fit comfortably on one GH200 (model ~1.2M params + tiny batches, < 5 GB per fold of 96 GB HBM). With --folds-per-gpu N, the orchestrator packs N fold subprocesses on each GPU so all 10 folds can run simultaneously on 4 GH200s. Each subprocess is pinned to one GPU via CUDA_VISIBLE_DEVICES; CUDA time-slices among the processes sharing a device. Usage — 4 folds at a time, one per GPU (legacy default): python run_folds_parallel.py \ --num-folds 10 --num-parallel 4 \ -- Usage — all 10 folds at once on 4 GPUs (3 folds per GPU): python run_folds_parallel.py \ --num-folds 10 --num-parallel 10 --folds-per-gpu 3 \ -- \ --model-size big --num_heads 4 --num_layers 3 \ --hidden_size 128 --dropout_rate 0.3 \ --lr 2e-4 --lr-scheduler cosine --lr-min 1e-6 \ --loss_type l1 --target_transform log \ --per-gpu-batch-size 256 --effective-batch-size 256 \ --num-epochs 300 --seed-base 42 Everything AFTER the `--` is forwarded verbatim to each run_kfold.py call. The `--fold N`, `--num-folds`, and CUDA_VISIBLE_DEVICES are injected per subprocess. Logs per fold are written to: {output-dir}/fold_{i}_console.log The orchestrator prints a one-line status update for each fold start and finish so you can follow progress in real time. """ from __future__ import annotations import argparse import os import subprocess import sys import time from pathlib import Path HERE = Path(__file__).resolve().parent RUN_KFOLD = HERE / "run_kfold.py" def parse(): p = argparse.ArgumentParser( description="Parallel orchestrator for spatial k-fold CV.", formatter_class=argparse.RawDescriptionHelpFormatter, epilog=__doc__, ) p.add_argument('--num-folds', type=int, default=10, help="Total number of folds (default 10).") p.add_argument('--num-parallel', type=int, default=4, help="How many folds to run concurrently. Defaults to " "min(num_folds, num_gpus_visible * folds_per_gpu).") p.add_argument('--folds-per-gpu', type=int, default=1, help="How many fold processes to pack on each GPU. Default 1. " "Set to 3 to run all 10 folds across 4 GPUs simultaneously " "(slot_idx %% num_gpus picks the GPU). GH200s have ~96 GB " "and each fold uses well under 5 GB, so 3 is safe.") p.add_argument('--output-dir', type=str, default=str(HERE), help="Directory for per-fold log files (default: this dir).") p.add_argument('--num-gpus', type=int, default=None, help="Override detected GPU count. Default: torch.cuda.device_count().") return p.parse_known_args() def detect_gpus(): try: import torch return torch.cuda.device_count() except Exception: return 0 def main(): args, passthrough = parse() # Strip leading '--' from passthrough if present if passthrough and passthrough[0] == '--': passthrough = passthrough[1:] num_gpus = args.num_gpus or detect_gpus() if num_gpus == 0: print("ERROR: no CUDA GPUs detected.", file=sys.stderr) sys.exit(2) total_slots = num_gpus * args.folds_per_gpu n_parallel = min(args.num_parallel, total_slots, args.num_folds) slot_to_gpu = {slot: slot % num_gpus for slot in range(total_slots)} print(f"[orchestrator] {args.num_folds} folds, " f"{num_gpus} GPUs, {args.folds_per_gpu} folds/GPU " f"({total_slots} slots), running {n_parallel} in parallel.") print(f"[orchestrator] passthrough args: {' '.join(passthrough)}") out_dir = Path(args.output_dir) out_dir.mkdir(parents=True, exist_ok=True) # Build the fold queue pending = list(range(args.num_folds)) running: dict[int, subprocess.Popen] = {} # slot_idx -> Popen fold_for_slot: dict[int, int] = {} # slot_idx -> fold_idx started_at: dict[int, float] = {} # fold_idx -> ts def launch(fold_idx: int, slot_idx: int) -> subprocess.Popen: gpu_id = slot_to_gpu[slot_idx] env = os.environ.copy() env['CUDA_VISIBLE_DEVICES'] = str(gpu_id) # Ensure each fold's wandb subdir doesn't collide env.setdefault('WANDB_MODE', 'disabled') env.setdefault('PYTHONUNBUFFERED', '1') cmd = [sys.executable, str(RUN_KFOLD), '--fold', str(fold_idx), '--num-folds', str(args.num_folds)] + passthrough log_path = out_dir / f'fold_{fold_idx}_console.log' log_fh = open(log_path, 'w', buffering=1) proc = subprocess.Popen( cmd, env=env, stdout=log_fh, stderr=subprocess.STDOUT, cwd=str(HERE.parents[2]), # SOCmapping root ) proc._log_fh = log_fh proc._log_path = log_path started_at[fold_idx] = time.time() print(f"[orchestrator] launched fold {fold_idx} on slot {slot_idx} " f"(GPU {gpu_id}, PID {proc.pid}, log: {log_path.name})") return proc # Initial fill for slot_idx in range(n_parallel): if not pending: break fold = pending.pop(0) running[slot_idx] = launch(fold, slot_idx) fold_for_slot[slot_idx] = fold # Poll loop rc_by_fold: dict[int, int] = {} while running: time.sleep(2) finished = [] for slot_idx, proc in running.items(): rc = proc.poll() if rc is not None: fold = fold_for_slot[slot_idx] gpu_id = slot_to_gpu[slot_idx] dt = time.time() - started_at[fold] status = "OK" if rc == 0 else f"FAILED (rc={rc})" print(f"[orchestrator] fold {fold} on slot {slot_idx} " f"(GPU {gpu_id}) {status} ({dt/60:.1f} min)") proc._log_fh.close() rc_by_fold[fold] = rc finished.append(slot_idx) for slot_idx in finished: running.pop(slot_idx) fold_for_slot.pop(slot_idx) if pending: next_fold = pending.pop(0) running[slot_idx] = launch(next_fold, slot_idx) fold_for_slot[slot_idx] = next_fold # Summary n_ok = sum(1 for rc in rc_by_fold.values() if rc == 0) n_fail = len(rc_by_fold) - n_ok print() print(f"[orchestrator] DONE — {n_ok}/{len(rc_by_fold)} folds succeeded, " f"{n_fail} failed.") if n_fail: failed = sorted(f for f, rc in rc_by_fold.items() if rc != 0) print(f"[orchestrator] failed folds: {failed}") print(f"[orchestrator] inspect logs: {out_dir}/fold__console.log") sys.exit(1) # Aggregate: read all per-fold predictions and write the cross-fold tables. # Passthrough is reused so the recipe metadata (max_oc, sampler_mode, etc.) # ends up in kfold_results.md / summary.json. print(f"[orchestrator] aggregating cross-fold results …") agg_cmd = [sys.executable, str(RUN_KFOLD), '--aggregate-only', '--num-folds', str(args.num_folds)] + passthrough agg_env = os.environ.copy() agg_env.setdefault('WANDB_MODE', 'disabled') rc = subprocess.call(agg_cmd, env=agg_env, cwd=str(HERE.parents[2])) if rc != 0: print(f"[orchestrator] aggregate-only step failed (rc={rc}). " f"Per-fold parquets are still on disk; rerun manually with " f"`python {RUN_KFOLD.name} --aggregate-only`.") sys.exit(rc) print(f"[orchestrator] kfold_results.md + summary.json written to " f"{out_dir}") if __name__ == "__main__": main()