#!/usr/bin/env python3 """ Convert MRMS FLASH_CREST_MAXUNITSTREAMFLOW_00.00 GRIB2 tiles to a single Zarr store. - Reads 10-minute GRIB2 files by day from the input root (e.g., /glade/derecho/scratch/li1995/data/FLASH_CREST_MAXUNITSTREAMFLOW_00.00/YYYYMMDD/...). - Aligns latitude/longitude to an existing precip Zarr template that shares the grid. - Writes float32 data with Zarr chunking (time=1, lat=438, lon=875) using parallel I/O per day. - Appends day-by-day to keep memory bounded; can utilize larger memory (e.g., 128GB) by increasing per-day parallelism. Testing (login node, small sample): ml conda; conda activate credit python /glade/work/li1995/FLASH/data/maxunitstreamflow_to_zarr.py \ --input-root /glade/derecho/scratch/li1995/data/FLASH_CREST_MAXUNITSTREAMFLOW_00.00 \ --template-zarr /glade/derecho/scratch/li1995/data/precip_2021_2025.zarr \ --output-zarr /glade/derecho/scratch/li1995/data/maxunitstreamflow_2021_2025_10min.zarr \ --start 2021-01-01 --end 2021-01-02 \ --workers 8 --test-limit 36 Full run (batch node with more memory): python /glade/work/li1995/FLASH/data/maxunitstreamflow_to_zarr.py \ --input-root /glade/derecho/scratch/li1995/data/FLASH_CREST_MAXUNITSTREAMFLOW_00.00 \ --template-zarr /glade/derecho/scratch/li1995/data/precip_2021_2025.zarr \ --output-zarr /glade/derecho/scratch/li1995/data/maxunitstreamflow_2021_2025_10min.zarr \ --start 2021-01-01 --end 2025-08-01 \ --workers 24 """ from __future__ import annotations import argparse import concurrent.futures import datetime as dt import os import re from pathlib import Path from typing import Iterable, List, Optional, Sequence, Tuple import numpy as np import xarray as xr from zarr.codecs import Zstd as ZstdCodec # Avoid overly verbose warnings when opening many GRIBs os.environ.setdefault("CFGRIB_LOGGING_LEVEL", "ERROR") FILENAME_RE = re.compile(r"_([0-9]{8})-([0-9]{6})\.grib2$") def parse_args() -> argparse.Namespace: parser = argparse.ArgumentParser( description="Build MAXUNITSTREAMFLOW Zarr from daily MRMS GRIB2 files" ) parser.add_argument( "--input-root", type=str, required=True, help="Root directory containing YYYYMMDD/ with GRIB2 files", ) parser.add_argument( "--template-zarr", type=str, required=True, help="Existing precip Zarr with matching latitude/longitude", ) parser.add_argument( "--output-zarr", type=str, required=True, help="Output Zarr store path to create/append", ) parser.add_argument( "--start", type=str, default="2021-01-01", help="Start date (YYYY-MM-DD)", ) parser.add_argument( "--end", type=str, default="2025-08-01", help="End date inclusive (YYYY-MM-DD)", ) parser.add_argument( "--workers", type=int, default=16, help="Parallel workers for per-day GRIB reads", ) parser.add_argument( "--test-limit", type=int, default=0, help="If >0, limit number of timesteps per day for testing", ) parser.add_argument( "--rechunk-lat", type=int, default=438, help="Latitude chunk size", ) parser.add_argument( "--rechunk-lon", type=int, default=875, help="Longitude chunk size", ) return parser.parse_args() def daterange(start: dt.date, end_inclusive: dt.date) -> Iterable[dt.date]: day = start one = dt.timedelta(days=1) while day <= end_inclusive: yield day day += one def list_grib2_files(day_dir: Path) -> List[Path]: if not day_dir.is_dir(): return [] return sorted(p for p in day_dir.iterdir() if p.name.endswith(".grib2")) def extract_datetime_from_name(path: Path) -> Optional[np.datetime64]: m = FILENAME_RE.search(path.name) if not m: return None ymd, hms = m.group(1), m.group(2) try: dt_obj = dt.datetime.strptime(f"{ymd}{hms}", "%Y%m%d%H%M%S") return np.datetime64(dt_obj) except Exception: return None def open_grib2_as_array( file_path: Path, target_shape: Tuple[int, int], missing_to_nan: bool = True, ) -> np.ndarray: """Open GRIB2 with cfgrib and return data as float32 array (1, y, x). Chooses the first data variable that has both latitude and longitude in dims. """ ds = xr.open_dataset( file_path.as_posix(), engine="cfgrib", backend_kwargs={}, chunks={} ) try: var_name = None for name, da in ds.data_vars.items(): if "latitude" in da.dims and "longitude" in da.dims: var_name = name break if var_name is None: # fall back to first variable var_name = next(iter(ds.data_vars.keys())) da = ds[var_name] data = da.values # loads into memory for this tile if data.ndim == 2: data2d = data elif data.ndim == 3 and data.shape[0] == 1: data2d = data[0] else: raise ValueError( f"Unexpected data shape {data.shape} in {file_path.name} for var {var_name}" ) if data2d.shape != target_shape: raise ValueError( f"Array shape {data2d.shape} != expected {target_shape} for {file_path.name}" ) arr = data2d.astype(np.float32, copy=False) if missing_to_nan: # Replace typical GRIB missing sentinel with NaN if present # 3.4028235e+38 is float32 max arr = np.where(arr >= np.finfo(np.float32).max * 0.99, np.nan, arr) # add time axis return arr[None, ...] finally: ds.close() def datetime64_to_epoch_seconds(times: Sequence[np.datetime64]) -> np.ndarray: """Convert datetime64 values to float64 seconds since 1970-01-01. This avoids cftime issues and matches the precip Zarr convention. """ if len(times) == 0: return np.array([], dtype=np.float64) t_ns = np.array(times, dtype="datetime64[ns]") base = np.datetime64("1970-01-01", "ns") delta_ns = (t_ns - base).astype("timedelta64[ns]").astype(np.int64) return (delta_ns.astype(np.float64) / 1e9).astype(np.float64) def build_day_arrays( grib_files: Sequence[Path], lat_size: int, lon_size: int, workers: int, test_limit: int, ) -> Tuple[np.ndarray, List[np.datetime64]]: """Read a day's GRIB tiles in parallel → stacked (T, Y, X) float32 and time list.""" if test_limit > 0: grib_files = grib_files[:test_limit] times: List[Tuple[np.datetime64, int]] = [] for i, f in enumerate(grib_files): t = extract_datetime_from_name(f) if t is not None: times.append((t, i)) # Keep only files with parseable time if not times: return np.empty((0, lat_size, lon_size), dtype=np.float32), [] times_sorted = sorted(times, key=lambda x: x[0]) sorted_indices = [i for _, i in times_sorted] sorted_files = [grib_files[i] for i in sorted_indices] sorted_times = [t for t, _ in times_sorted] target_shape = (lat_size, lon_size) def _load(path: Path) -> np.ndarray: return open_grib2_as_array(path, target_shape=target_shape, missing_to_nan=True) with concurrent.futures.ThreadPoolExecutor(max_workers=workers) as ex: arrays = list(ex.map(_load, sorted_files)) if not arrays: return np.empty((0, lat_size, lon_size), dtype=np.float32), [] stacked = np.concatenate(arrays, axis=0) return stacked, sorted_times def ensure_output_store( output_zarr: str, var_name: str, lat: xr.DataArray, lon: xr.DataArray, chunks: Tuple[int, int, int], compressor: ZstdCodec, ) -> None: """Create the Zarr store if missing with metadata and encodings.""" if Path(output_zarr).exists(): return empty = xr.DataArray( data=np.empty((0, lat.size, lon.size), dtype=np.float32), dims=("time", "latitude", "longitude"), coords={ # Use float64 seconds since epoch to mirror precip store "time": np.array([], dtype=np.float64), "latitude": lat, "longitude": lon, }, name=var_name, attrs={"long_name": "MAXUNITSTREAMFLOW", "units": "unknown"}, ).to_dataset(name=var_name) # Add CF-like attributes for time empty["time"].attrs = { "standard_name": "time", "long_name": "time", "units": "seconds since 1970-01-01", "calendar": "proleptic_gregorian", } encoding = { var_name: {"dtype": "float32", "chunks": chunks, "compressors": (compressor,)}, # store as float64 seconds "time": {"dtype": "float64"}, } empty.to_zarr( output_zarr, mode="w", consolidated=True, encoding=encoding, zarr_format=3, ) def append_day( output_zarr: str, var_name: str, day_data: np.ndarray, day_times: Sequence[np.datetime64], lat: xr.DataArray, lon: xr.DataArray, chunks: Tuple[int, int, int], compressor: ZstdCodec, ) -> None: if day_data.size == 0: return # Convert filename datetimes to epoch seconds (float64) time_seconds = datetime64_to_epoch_seconds(day_times) ds = xr.Dataset( { var_name: xr.DataArray( day_data, dims=("time", "latitude", "longitude"), coords={"time": time_seconds, "latitude": lat, "longitude": lon}, attrs={"long_name": "MAXUNITSTREAMFLOW", "units": "unknown"}, ) } ) # Ensure time coordinate attributes persist on append ds["time"].attrs = { "standard_name": "time", "long_name": "time", "units": "seconds since 1970-01-01", "calendar": "proleptic_gregorian", } # Ensure no per-variable encodings are carried into append (xarray will error if present) if var_name in ds: ds[var_name].encoding = {} if "time" in ds: ds["time"].encoding = {} if "latitude" in ds: ds["latitude"].encoding = {} if "longitude" in ds: ds["longitude"].encoding = {} ds.to_zarr( output_zarr, mode="a", append_dim="time", consolidated=False, zarr_format=3, ) def get_existing_max_time(output_zarr: str) -> Optional[np.datetime64]: p = Path(output_zarr) if not p.exists(): return None try: ds_out = xr.open_zarr(output_zarr, consolidated=True, decode_times=False) except Exception: ds_out = xr.open_zarr(output_zarr, consolidated=False, decode_times=False) try: if "time" in ds_out.coords and ds_out.sizes.get("time", 0) > 0: tvar = ds_out["time"] tvals = tvar.values last = tvals[-1] # Cases: datetime64, numeric epoch, or cftime/object if isinstance(last, np.datetime64): return last.astype("datetime64[ns]") if np.issubdtype(tvals.dtype, np.datetime64): return np.array(last, dtype="datetime64[ns]") if np.issubdtype(tvals.dtype, np.number): units = (tvar.attrs or {}).get("units", "seconds since 1970-01-01") base_match = re.match(r"(seconds|milliseconds|microseconds|nanoseconds|minutes|hours|days) since (\d{4}-\d{2}-\d{2})", units) if base_match: unit, base_date = base_match.groups() base = np.datetime64(base_date, "s") # Map unit to numpy timedelta unit unit_map = { "nanoseconds": "ns", "microseconds": "us", "milliseconds": "ms", "seconds": "s", "minutes": "m", "hours": "h", "days": "D", } np_unit = unit_map.get(unit, "s") delta = np.array(last, dtype=f"timedelta64[{np_unit}]") return (base + delta).astype("datetime64[ns]") # Fallback treat as seconds since epoch base = np.datetime64("1970-01-01", "s") delta = np.array(last, dtype="timedelta64[s]") return (base + delta).astype("datetime64[ns]") # Attempt string conversion (e.g., cftime) try: return np.datetime64(str(last)).astype("datetime64[ns]") except Exception: return None return None finally: ds_out.close() def main() -> None: args = parse_args() input_root = Path(args.input_root) template_zarr = args.template_zarr output_zarr = args.output_zarr start_date = dt.datetime.strptime(args.start, "%Y-%m-%d").date() end_date = dt.datetime.strptime(args.end, "%Y-%m-%d").date() # Load template lat/lon from precip Zarr ds_tpl = xr.open_zarr(template_zarr, consolidated=True) try: lat = ds_tpl["latitude"].load() lon = ds_tpl["longitude"].load() finally: ds_tpl.close() lat_size, lon_size = int(lat.size), int(lon.size) var_name = "maxunitstreamflow" chunks = (1, int(args.rechunk_lat), int(args.rechunk_lon)) compressor = ZstdCodec(level=3) # Ensure store exists with metadata ensure_output_store(output_zarr, var_name, lat, lon, chunks, compressor) existing_max_time = get_existing_max_time(output_zarr) if existing_max_time is not None: print(f"Resuming after {existing_max_time}") for day in daterange(start_date, end_date): day_dir = input_root / day.strftime("%Y%m%d") gribs = list_grib2_files(day_dir) if not gribs: continue # Filter by resume point if existing_max_time is not None: gribs = [ f for f in gribs if (t := extract_datetime_from_name(f)) is not None and t > existing_max_time ] if not gribs: continue print(f"Processing {day_dir} with {len(gribs)} files ...") day_data, day_times = build_day_arrays( gribs, lat_size=lat_size, lon_size=lon_size, workers=int(args.workers), test_limit=int(args.test_limit), ) if day_data.size == 0: continue append_day( output_zarr, var_name, day_data, day_times, lat, lon, chunks, compressor, ) # Consolidate metadata at the end for faster reads try: import zarr as zarr_pkg zarr_pkg.consolidate_metadata(output_zarr) except Exception as e: print(f"Consolidate metadata skipped: {e}") if __name__ == "__main__": main()