diff --git a/S1_era5and_carra2NetCDF/Fetch_ERA5EDA.sh b/S1_era5and_carra2NetCDF/Fetch_ERA5EDA.sh index 0eed8de..63f909f 100644 --- a/S1_era5and_carra2NetCDF/Fetch_ERA5EDA.sh +++ b/S1_era5and_carra2NetCDF/Fetch_ERA5EDA.sh @@ -11,14 +11,14 @@ module load eclib module load python3 export MARS_MULTITARGET_STRICT_FORMAT=1 -DDIR=/scratch/${HOME}/DDPM_DATA/S1_era5and_carra2NetCDF -SCRDIR=/home/${HOME}/S1_era5and_carra2NetCDF +DDIR=/ec/res4/scratch/swe4281/DDPM_EVAL_NOV2025/ERA5EDA_DATA +SCRDIR=/home/swe4281/repository/CARRA_QC2025/Uncertainty_Quantification_git/S1_era5and_carra2NetCDF #SCRDIR=/home/fasg/CARRA2/uncert_est/mars_retrievals cd $DDIR || { echo "Could cd to $DDIR" ; exit ; } -DATE1=20220301 -DATE2=20220330 +DATE1=20210101 +DATE2=20210131 # Make list of dates for the MARS retrieve DATES="" diff --git a/S1_era5and_carra2NetCDF/Fetch_ERA5EDA.sh_LAST b/S1_era5and_carra2NetCDF/Fetch_ERA5EDA.sh_LAST new file mode 100644 index 0000000..63f909f --- /dev/null +++ b/S1_era5and_carra2NetCDF/Fetch_ERA5EDA.sh_LAST @@ -0,0 +1,102 @@ +#!/bin/bash + + +# old: PARAM = 131.228/132.228/134/167, +# 131 and 132 is the 10m neutral wind + +# 1 day of ERA5 EDA: 23.6MB GRIB, 46.4MB NetCDF +# 30 days of ERA5 EDA: 708MB GRIB, 1.4GB NetCDF + +module load eclib +module load python3 + +export MARS_MULTITARGET_STRICT_FORMAT=1 +DDIR=/ec/res4/scratch/swe4281/DDPM_EVAL_NOV2025/ERA5EDA_DATA +SCRDIR=/home/swe4281/repository/CARRA_QC2025/Uncertainty_Quantification_git/S1_era5and_carra2NetCDF +#SCRDIR=/home/fasg/CARRA2/uncert_est/mars_retrievals + +cd $DDIR || { echo "Could cd to $DDIR" ; exit ; } + +DATE1=20210101 +DATE2=20210131 + +# Make list of dates for the MARS retrieve +DATES="" +YMD=$DATE1 +while (( "$YMD" <= "$DATE2" ));do + if [[ $YMD == $DATE1 ]];then + DATES="$YMD" + else + DATES=$DATES"/$YMD" + fi + YMD=$(newdate -D $YMD +1) +done + +cat > mars_retrieve.dat <> mars_retrieve.dat < $NCF" + ln -s $GRB IN.grib + python3 $SCRDIR/GRIBtoNC.py + /bin/mv OUT.nc $NCF + /bin/rm IN.grib IN.grib.*.idx +done diff --git a/S1_era5and_carra2NetCDF/process_data_PLOT_era5SFC.py b/S1_era5and_carra2NetCDF/process_data_PLOT_era5SFC.py new file mode 100755 index 0000000..b18fc98 --- /dev/null +++ b/S1_era5and_carra2NetCDF/process_data_PLOT_era5SFC.py @@ -0,0 +1,141 @@ +# -*- coding: utf-8 -*- +import os +import numpy as np +import matplotlib.pyplot as plt +import xarray as xr +from datetime import datetime + +def process_era5_data(path_to_data, VARIABLE, date): + """ + Process ERA5 ensemble data for a given variable and date. + + Args: + path_to_data (str): Path to the NetCDF ERA5 file. + VARIABLE (str): Variable name (e.g., 't2m', 'u10', etc.). + date (str): Date string (e.g., '20220106') used for labeling. + + Outputs: + PNG plots of ensemble mean and standard deviation for each time step. + """ + + print(f"\nProcessing ERA5 variable: {VARIABLE}, for date: {date}") + + try: + # Load dataset + ds = xr.open_dataset(path_to_data) + print(f"Dataset loaded: {path_to_data}") + + # Variables that need scaling + scale_factors = { + 'u10': 1.0, 'v10': 1.0, 't2m': 1.0, 'sp': 0.01, + 't': 1.0, 'q': 10000, 'u': 1.0, 'v': 1 + + } + + if VARIABLE in scale_factors: + multiply = scale_factors[VARIABLE] + if VARIABLE == 'sp': + print("Before scaling SP:", np.max(ds[VARIABLE]), np.min(ds[VARIABLE])) + ds[VARIABLE] = ds[VARIABLE] * multiply + else: + print(f"No multiplication factor found for variable '{VARIABLE}'. Exiting.") + sys.exit(1) + # Flip latitude (y-axis) if needed + ds_flipped = ds.reindex(y=ds.y[::-1]) + print("Latitude flipped (north to south)") + + # Plotting style + plt.rcParams.update({ + 'font.size': 16, + 'axes.linewidth': 1.5, + 'font.family': 'serif' + }) + + # Define variable-specific plotting ranges + variable_ranges = { + 'u10': (-30, 30), 'v10': (-30, 30), 't2m': (200, 300), 'sp': (500, 1170), + 't': (200, 300), 'u': (-30, 30), 'v': (-30, 30),'q': (-30, 30) + } + + # Loop through each time step + for i, timestamp in enumerate(ds_flipped.time.values): + timestamp_str = np.datetime_as_string(timestamp, unit='s') + YYYY, MM, DD = timestamp_str[:4], timestamp_str[5:7], timestamp_str[8:10] + UTC_hour = np.datetime_as_string(timestamp, unit='h')[-2:] + + print(f"Processing time step {i}: {timestamp_str}") + + # Extract data for current time + t_slice = ds_flipped[VARIABLE].sel(time=timestamp) + + # Compute ensemble statistics + ensemble_mean = t_slice.mean(dim='number') + ensemble_std = t_slice.std(dim='number') + + # Optional: interpolate to finer grid (e.g., 239x239) + new_x = np.linspace(ensemble_std.x.values[0], ensemble_std.x.values[-1], 239) + new_y = np.linspace(ensemble_std.y.values[0], ensemble_std.y.values[-1], 239) + + ens_mean = ensemble_mean.interp(y=new_y, x=new_x, method="linear") + ens_std = ensemble_std.interp(y=new_y, x=new_x, method="linear") + + # Define plotting levels if available + if VARIABLE in variable_ranges: + min_level, max_level = variable_ranges[VARIABLE] + levels = np.arange(np.floor(min_level), np.ceil(max_level) + 2, 2) + else: + min_level = float(np.floor(ens_mean.values.min())) + max_level = float(np.ceil(ens_mean.values.max())) + levels = np.linspace(min_level, max_level, num=10) + + # -------- Plotting Functions -------- # + def plot_ens(data, filename, levels, label): + plt.figure(figsize=(8, 6.5)) + data.plot( + levels=levels, cmap='jet', extend='both', + #cmap='jet', extend='both', + cbar_kwargs={'label': label, 'shrink': 0.8} + ) + plt.xlabel("Longitude") + plt.ylabel("Latitude") + plt.title(label + f" (UTC {np.datetime_as_string(timestamp, unit='h')})") + plt.savefig(filename, bbox_inches='tight', facecolor='white', dpi=200) + plt.close() + # + def plot_sd(data, filename, vmin, vmax, label): + plt.figure(figsize=(8, 6.5)) + data.plot( + vmin=vmin, vmax=vmax, cmap='jet', + cbar_kwargs={'label': label, 'shrink': 0.8} + ) + plt.xlabel("Longitude") + plt.ylabel("Latitude") + plt.title(label + f" (UTC {np.datetime_as_string(timestamp, unit='h')})") + plt.savefig(filename, bbox_inches='tight', facecolor='white', dpi=200) + plt.close() + + # -------- Save Plots -------- # + plot_sd( + ens_std, + f"SD_{VARIABLE}_{YYYY}{MM}{DD}_UTC_{i}.png", + vmin=0, + vmax=3, + #vmax=np.ceil(ens_std.values.max()), + label='Standard Deviation' + ) + + plot_ens( + ens_mean, + f"EnsMEAN_{VARIABLE}_{YYYY}{MM}{DD}_UTC_{i}.png", + #vmin=np.floor(ens_mean.values.min()), + #vmax=np.ceil(ens_mean.values.max()), + levels, + label='Ensemble Mean' + ) + + print(f"Plots saved for time step {i}") + + except Exception as e: + print("Error during ERA5 data processing:") + import traceback + traceback.print_exc() diff --git a/S4_ddpm/RUN_evaluation.job b/S4_ddpm/RUN_evaluation.job index 605b16e..c41b9ec 100755 --- a/S4_ddpm/RUN_evaluation.job +++ b/S4_ddpm/RUN_evaluation.job @@ -1,13 +1,45 @@ #!/bin/bash +#=============================================================================== +# Job Name : HQ_Evaluation +# Author : Swapan Mallick, SMHI +# Date Created : 06/09/2025 +# Description : +# High-quality evaluation of diffusion-based CARRA2/ERA5 models using SLURM. +# The script performs two-step evaluation per anlysis time: +# 1. SD (standard deviation) evaluation for uncertainty quantification. +# 2. Final output are in NetCDF and from evaluation for full-resolution model output. +# +# Features: +# - Links model checkpoints dynamically for each date. +# - Copies ERA5 and CARRA2 input images for SD . +# - Runs distributed PyTorch evaluation via `torchrun` with multiple GPUs. +# - Supports configurable image size, batch size, and number of samples. +# - Saves outputs in date-specific directories with logs. +# +# Inputs: +# - VAR : Variable +# - DATE_ARRAY : Dates to process +# - CHECKPOINTS: Model checkpoints to evaluate +# +# Outputs: +# - High-quality images and statistics saved under BASE_OUTPUT +# - Logs of each torchrun run in HQ_Evaluation.log +# +# Notes: +# - Optimized for single-image quality (BATCH_SIZE=1) +# - NUM_SAMPLES and NUM_SAMPLES_SD control sampling for SD +# - Temporary directories cleaned after processing each date +#=============================================================================== + #------------------------------- -#SBATCH --job-name=FCDDPM_Eval -#SBATCH --output=FC_eval_log.out -#SBATCH --error=FC_eval_log.out +#SBATCH --job-name=t2m_Evalulation +#SBATCH --output=t2m_Evalulation.log +#SBATCH --error=t2m_Evalulation.log #SBATCH --qos=ng #SBATCH --nodes=1 #SBATCH --mem=60GB -#SBATCH --gpus=4 -#SBATCH --time=24:00:00 +#SBATCH --gpus=1 +#SBATCH --time=48:00:00 #------------------------------- # Load modules and activate environment @@ -15,49 +47,134 @@ set -evx module load conda conda activate ddenv_v2 -# Enable CUDA-aware MPI (if needed) +# Enable CUDA-aware MPI export OMPI_MCA_opal_cuda_support=true -export OMPI_MCA_pml=ucx -export UCX_MEMTYPE_CACHE=n +#export OMPI_MCA_pml=ucx +#export UCX_MEMTYPE_CACHE=n # --------------------------- # Define paths # --------------------------- -VAR="sp" -TYPE="FC_0HR" -SCR="/home/swe4281/repository/CARRA_QC2025/Uncertainty_Quantification/S4_ddpm_FC00" -CHECKPOINT_DIR="/ec/res4/hpcperm/swe4281/DDPM_CARRA2_FINAL/DDPM_MODEL_SEP25/${VAR}/${TYPE}" -ERA5_DIR="${SCR}/ERA5_SP" -CARRA2_DIR="${SCR}/CARRA2_SP" -OUTPUT_DIR="${CHECKPOINT_DIR}/OUT_BEST_CHECK_ME" -mkdir -p ${OUTPUT_DIR} -#CHECKPOINT_DIR="${SCR}/MODELCHECK1" -#CHECKPOINT_DIR="/ec/res4/hpcperm/swe4281/DDPM_CARRA2_FINAL/DDPM_MODEL_SEP25/${VAR}/checkpoints" -#ERA5_DIR="/scratch/swe4281/DDPM_DATA/MLDATA/DDPM_PLOTS_ALL_V1/${VAR}/ERA5" -#CARRA2_DIR="/scratch/swe4281/DDPM_DATA/MLDATA/DDPM_PLOTS_ALL_V1/${VAR}/CARRA2" -#OUTPUT_DIR="/ec/res4/hpcperm/swe4281/DDPM_CARRA2_FINAL/DDPM_MODEL_SEP25/${VAR}/BEST_SAMPLES" +VAR="t2m" +# Generate 6-hourly DATE_ARRAY automatically +DATE_ARRAY=() +for t in $(seq 0 6 2); do + DATE_ARRAY+=($(date -u -d "2019-10-30 +${t} hour" +"%Y%m%d%H")) +done +#--Date for validation--- +if [ "$VAR" = "t2m" ]; then + CHECKPOINTS=(12) +elif [ "$VAR" = "u10" ]; then + CHECKPOINTS=(14 16 18 20) +elif [ "$VAR" = "v10" ]; then + CHECKPOINTS=(14 16 18 20) +elif [ "$VAR" = "sp" ]; then + CHECKPOINTS=(14 16 18 20 26) +else + echo "Unknown variable: $VAR" + exit 1 +fi +# +SCR=${PWD} +MAINDIR="XXX" # Changed input directory +MODEL_SRC="${MAINDIR}/MODEL/${VAR}" +CARRA_DYN="${MAINDIR}/VALID_INPUT/${VAR}" +ERRA_ENS="${MAINDIR}/VALID_INPUT/${VAR}" +BASE_OUTPUT="${VAR}_MODEL" # Changed output directory +mkdir -p ${BASE_OUTPUT} # --------------------------- -# Evaluation Flags +# Evaluation Flags - OPTIMIZED FOR QUALITY # --------------------------- IMAGE_SIZE=256 -BATCH_SIZE=1 -NUM_SAMPLES=10 -WORLD_SIZE=4 +BATCH_SIZE=1 # Keep at 1 for maximum quality per image +NUM_SAMPLES=10 # +WORLD_SIZE=1 -# --------------------------- -# Run Multi-GPU Evaluation -# --------------------------- -# -srun --mpi=pmi2 torchrun --nproc_per_node=4 evaluate.py \ - --checkpoint_dir $CHECKPOINT_DIR \ - --era5_dir $ERA5_DIR \ - --carra2_dir $CARRA2_DIR \ - --output_dir $OUTPUT_DIR \ - --image_size $IMAGE_SIZE \ - --batch_size $BATCH_SIZE \ - --num_samples $NUM_SAMPLES \ - --cond_key "" \ - --num_channels 64 --num_res_blocks 2 --num_heads 4 --attention_resolutions "16,8" --diffusion_steps 4000 +export NCCL_DEBUG=INFO +export TORCH_DISTRIBUTED_DEBUG=DETAIL + +# Loop through each date +for YYMMDDHH in "${DATE_ARRAY[@]}"; do + echo "==================================================" + echo "Processing date: $YYMMDDHH with NUM_SAMPLES=$NUM_SAMPLES" + echo "==================================================" + + # Create date-specific temporary and output directories + TMP="${SCR}/tmp_${VAR}_${YYMMDDHH}" + ERA5_SD="${TMP}/ERA5_SD" + ERA5_DYN="${TMP}/ERA5_DYN" + CARRA2_DYN="${TMP}/CARRA_DYN" + CHECKPOINT_DIR="${TMP}/${VAR}" + + # Create date-specific output directories + OUTPUT_SD="${BASE_OUTPUT}/${YYMMDDHH}" + + # Clean up and create directories + rm -rf ${TMP} + mkdir -p ${TMP} + mkdir -p ${ERA5_SD} + mkdir -p ${ERA5_DYN} + mkdir -p ${CARRA2_DYN} + mkdir -p ${CHECKPOINT_DIR} + mkdir -p ${OUTPUT_SD} + + # Link model checkpoints + for ii in "${CHECKPOINTS[@]}"; do + SRC_CHECKPOINT="${MODEL_SRC}/model0${ii}000.pt" + if [ ! -f "${SRC_CHECKPOINT}" ]; then + echo "Warning: source checkpoint not found: ${SRC_CHECKPOINT}, skipping." + continue + fi + ln -sf "${SRC_CHECKPOINT}" "${CHECKPOINT_DIR}" + done + + # Copy date-specific files + echo "Copying data files for date: $YYMMDDHH" + cp -rf ${ERRA_ENS}/SD_${VAR}_${YYMMDDHH}_era5.png ${ERA5_SD}/ + cp -rf ${ERRA_ENS}/EnsMEAN_${VAR}_${YYMMDDHH}_era5.png ${ERA5_DYN}/ + cp -rf ${CARRA_DYN}/hres_${VAR}_${YYMMDDHH}_carra2.png ${CARRA2_DYN}/ + + # + echo "Verifying copied files:" + ls -la ${ERA5_SD}/ + ls -la ${ERA5_DYN}/ + ls -la ${CARRA2_DYN}/ + ls -la ${CARRA2_SD}/ + + # + echo "Starting first torchrun evaluation for date: $YYMMDDHH" + torchrun --nproc_per_node=$WORLD_SIZE --master_port=29600 evaluate.py \ + --checkpoint_dir $CHECKPOINT_DIR \ + --era5_dir $ERA5_SD \ + --carra2_dir $CARRA2_DYN \ + --output_dir $OUTPUT_SD \ + --image_size $IMAGE_SIZE \ + --batch_size $BATCH_SIZE \ + --num_samples $NUM_SAMPLES \ + --cond_key "" \ + --num_channels 64 --num_res_blocks 2 --num_heads 4 --attention_resolutions "16,8" --diffusion_steps 4000 + exit #SWAPAN + # First torchrun command + FIRST_EXIT=$? + if [ $FIRST_EXIT -ne 0 ]; then + echo "First torchrun command failed for date $YYMMDDHH with exit code: $FIRST_EXIT" + echo "Skipping to next date..." + continue + fi + + echo "First torchrun completed successfully for date: $YYMMDDHH" + # + # Clean up temporary files for this date + rm -rf ${TMP} + + echo "==================================================" + echo "Completed processing date: $YYMMDDHH" + echo "Output saved to: $OUTPUT_SD" + echo "==================================================" + echo "" + +done +echo "All dates processed successfully with high-quality settings!" exit 0 diff --git a/S4_ddpm/evaluate.py b/S4_ddpm/evaluate.py index e4d3308..2455b15 100755 --- a/S4_ddpm/evaluate.py +++ b/S4_ddpm/evaluate.py @@ -1,225 +1,21 @@ #!/usr/bin/env python3 """ -Evaluation Script for 0-Hour Forecast Diffusion Model - +=============================================================================== + Program: Evaluation Script - Single Best Quality Image (Modified) + Author: Swapan Mallick, SMHI + Date: 2025-09-06 +=============================================================================== +Main entry point for the evaluation pipeline. """ + import os +import sys import argparse -import glob -import math -import torch +import traceback import torch.distributed as dist -from torch.utils.data import DataLoader, Dataset -import numpy as np -from PIL import Image - -from src_diffusion.diffusion_dist import create_model_and_diffusion, model_and_diffusion_defaults - -# -------- utils -------- -def save_image(img_array, filename): - os.makedirs(os.path.dirname(filename), exist_ok=True) - img = Image.fromarray(np.uint8(np.clip(img_array, 0, 255))) - new_size = (img.width * 4, img.height * 4) - img = img.resize(new_size, resample=Image.BICUBIC) - img.save(filename) - -def load_state_dict_from_checkpoint(ckpt_path): - try: - state = torch.load(ckpt_path, map_location="cpu", weights_only=True) - except TypeError: - state = torch.load(ckpt_path, map_location="cpu") - # unwrap common wrappers - if isinstance(state, dict): - for key in ("state_dict", "model_state_dict", "model", "state"): - if key in state and isinstance(state[key], dict): - return state[key] - # if looks like state_dict already - if all(isinstance(v, torch.Tensor) for v in state.values()): - return state - raise RuntimeError(f"Checkpoint {ckpt_path} doesn't contain a usable state_dict.") - -# -------- dataset -------- -class PairedImageDataset(Dataset): - def __init__(self, era5_files, carra2_files, image_size): - assert len(era5_files) == len(carra2_files) - self.era5_files = era5_files - self.carra2_files = carra2_files - self.image_size = image_size - - def __len__(self): - return len(self.era5_files) - - def _load_image(self, path): - img = Image.open(path).convert("RGB") - img = img.resize((self.image_size, self.image_size), Image.BICUBIC) - arr = np.array(img).astype(np.float32) - arr = arr / 127.5 - 1.0 - tensor = torch.from_numpy(np.transpose(arr, (2,0,1))).float() - return tensor - - def __getitem__(self, idx): - return ( - self._load_image(self.era5_files[idx]), - self._load_image(self.carra2_files[idx]), - os.path.basename(self.era5_files[idx]), - ) - -# -------- distributed helpers -------- -def init_distributed_from_env(): - """ - Initialize via env variables (works with torchrun). - Returns (rank, world_size) or (None, None) if not running distributed. - """ - if "RANK" in os.environ and "WORLD_SIZE" in os.environ: - rank = int(os.environ["RANK"]) - world_size = int(os.environ["WORLD_SIZE"]) - elif "LOCAL_RANK" in os.environ and "WORLD_SIZE" in os.environ: - rank = int(os.environ.get("LOCAL_RANK", 0)) - world_size = int(os.environ["WORLD_SIZE"]) - else: - return None, None - dist.init_process_group(backend="nccl", init_method="env://", rank=rank, world_size=world_size) - torch.cuda.set_device(int(os.environ.get("LOCAL_RANK", rank))) - return rank, world_size - -def cleanup_distributed(): - if dist.is_initialized(): - dist.barrier() - dist.destroy_process_group() - -# -------- evaluation logic -------- -def evaluate_process(rank, world_size, args): - # device selection - if world_size is None: - device = torch.device("cuda:0" if args.device == "cuda" and torch.cuda.is_available() else "cpu") - else: - local_rank = int(os.environ.get("LOCAL_RANK", rank)) - device = torch.device(f"cuda:{local_rank}") - - # load file lists - era5_files = sorted(glob.glob(os.path.join(args.era5_dir, "*.png"))) - carra2_files = sorted(glob.glob(os.path.join(args.carra2_dir, "*.png"))) - print('era5_files =',era5_files) - print('carra2_files =',carra2_files) - if len(era5_files) == 0: - raise RuntimeError("No era5 files found in " + args.era5_dir) - if len(era5_files) != len(carra2_files): - raise RuntimeError("ERA5/CARRA2 file count mismatch") - - total_len = len(era5_files) - print('len(era5_files)=',len(era5_files)) - if world_size is None: - start_idx, end_idx = 0, total_len - else: - per_rank = math.ceil(total_len / world_size) - start_idx = rank * per_rank - end_idx = min(start_idx + per_rank, total_len) - - shard_era5 = era5_files[start_idx:end_idx] - shard_carra2 = carra2_files[start_idx:end_idx] - - dataset = PairedImageDataset(shard_era5, shard_carra2, args.image_size) - print('dataset',dataset) - loader = DataLoader(dataset, batch_size=args.batch_size, shuffle=False, num_workers=0) - - # build model/diffusion (must match training hyperparams) - defaults = model_and_diffusion_defaults() - cli_keys = ["image_size","num_channels","num_res_blocks","num_heads","attention_resolutions", - "dropout","learn_sigma","sigma_small","class_cond","diffusion_steps","noise_schedule"] - for k in cli_keys: - v = getattr(args, k, None) - if v is not None: - defaults[k] = v - defaults["image_size"] = args.image_size - model, diffusion = create_model_and_diffusion(**defaults) - model.to(device) - - checkpoint_files = sorted(glob.glob(os.path.join(args.checkpoint_dir, "*.pt"))) - print(f"[rank {rank}] Found {len(checkpoint_files)} checkpoints",checkpoint_files) - - best_rmse_overall = float("inf") - best_checkpoint = None - - for ckpt_path in checkpoint_files: - try: - state = load_state_dict_from_checkpoint(ckpt_path) - except Exception as e: - print(f"[rank {rank}] Could not read {ckpt_path}: {e}") - continue - - try: - model.load_state_dict(state) - except Exception as e: - print(f"[rank {rank}] Error loading state into model: {e}") - print("Ensure model hyperparameters passed here exactly match training.") - continue - model.eval() - - rmse_total = 0.0 - count = 0 - - with torch.no_grad(): - for era5, carra2, fnames in loader: - era5 = era5.to(device) - carra2 = carra2.to(device) - B = era5.shape[0] - - # accumulate per-sample outputs for the whole batch - samples_list = [] - for s in range(args.num_samples): - # sample a batch at once -> result shape (B, C, H, W) - model_kwargs = {args.cond_key: era5} if args.cond_key else {} - sample_batch = diffusion.p_sample_loop(model, (B, 3, args.image_size, args.image_size), device=device, model_kwargs=model_kwargs) - # ensure tensor - if isinstance(sample_batch, (list, tuple)): - sample_batch = sample_batch[0] - samples_list.append(sample_batch) # (B, C, H, W) - - # stack -> (S, B, C, H, W) - samples_stack = torch.stack(samples_list, dim=0) - # compute mse per sample and per batch item -> (S, B) - mse_per_sample = ((samples_stack - carra2.unsqueeze(0)) ** 2).mean(dim=[2,3,4]) - - # defensive checks - S = samples_stack.shape[0] - if S != args.num_samples: - print(f"[rank {rank}] WARNING: generated S={S} samples but requested {args.num_samples}.") - - # best index per batch item: shape (B,) - best_idxs = mse_per_sample.argmin(dim=0) # dtype long - - # gather best samples for each batch item using advanced indexing - arange = torch.arange(B, device=best_idxs.device) - best_samples = samples_stack[best_idxs, arange] # (B, C, H, W) - best_mses = mse_per_sample[best_idxs, arange] # (B,) +from src_diffusion.evaluate_utils import setup_rank_logging, save_error_trace, init_distributed_from_env +from src_diffusion.evaluate_process import evaluate_process - # update metrics - rmse_batch = torch.sqrt(best_mses).sum().item() - rmse_total += rmse_batch - count += B - - # save each best sample individually - for b in range(B): - basename = fnames[b] if isinstance(fnames, (list, tuple)) else fnames - out_fname = f"{os.path.splitext(basename)[0]}__ckpt_{os.path.basename(ckpt_path)}.png" - out_path = os.path.join(args.output_dir, out_fname) - best_img = best_samples[b].cpu().numpy().transpose(1,2,0) - img_array = ((best_img + 1.0) * 127.5).astype(np.uint8) - save_image(img_array, out_path) - - rmse_avg = rmse_total / max(count, 1) - print(f"[rank {rank}] Checkpoint {os.path.basename(ckpt_path)}: RMSE={rmse_avg:.4f}") - - if rmse_avg < best_rmse_overall: - best_rmse_overall = rmse_avg - best_checkpoint = ckpt_path - - print(f"[rank {rank}] Best checkpoint: {best_checkpoint} with RMSE={best_rmse_overall:.4f}") - - if world_size is not None: - dist.barrier() - -# -------- main -------- def main(): parser = argparse.ArgumentParser() parser.add_argument("--checkpoint_dir", required=True) @@ -231,7 +27,6 @@ def main(): parser.add_argument("--num_samples", type=int, default=10) parser.add_argument("--cond_key", type=str, default="low_res") parser.add_argument("--device", type=str, default="cuda") - # optional model overrides parser.add_argument("--num_channels", type=int, default=None) parser.add_argument("--num_res_blocks", type=int, default=None) parser.add_argument("--num_heads", type=int, default=None) @@ -242,16 +37,40 @@ def main(): args = parser.parse_args() os.makedirs(args.output_dir, exist_ok=True) - # init distributed if launched with torchrun - rank, world_size = init_distributed_from_env() + try: + rank, world_size = init_distributed_from_env() + except Exception as e: + tb = traceback.format_exc() + print("Failed to init distributed:", e) + print(tb) + sys.exit(1) + + rank_for_log = rank if rank is not None else 0 + LOG = setup_rank_logging(args.output_dir, rank_for_log) - if rank is None: - print("Running single-process mode.") - evaluate_process(0, None, args) - else: - print(f"Distributed init OK - rank {rank} / world_size {world_size}") - evaluate_process(rank, world_size, args) - cleanup_distributed() + try: + try: + evaluate_process(rank_for_log if rank is not None else 0, world_size, args, LOG) + except Exception as e: + tb = traceback.format_exc() + LOG.error("Unhandled exception in evaluate_process:\n%s", tb) + save_error_trace(args.output_dir, rank_for_log, tb) + if dist.is_initialized(): + try: + dist.barrier() + except Exception: + pass + try: + dist.destroy_process_group() + except Exception: + pass + raise + finally: + if dist.is_initialized(): + try: + dist.destroy_process_group() + except Exception: + pass if __name__ == "__main__": main() diff --git a/S4_ddpm/src_diffusion/evaluate_dataset.py b/S4_ddpm/src_diffusion/evaluate_dataset.py new file mode 100644 index 0000000..5fd6724 --- /dev/null +++ b/S4_ddpm/src_diffusion/evaluate_dataset.py @@ -0,0 +1,41 @@ +#!/usr/bin/env python3 +""" +Dataset classes for the evaluation pipeline. +""" + +import torch +from torch.utils.data import Dataset as TorchDataset +from PIL import Image +import numpy as np +import os + +class PairedImageDataset(TorchDataset): + def __init__(self, era5_files, carra2_files, image_size): + assert len(era5_files) == len(carra2_files) + self.era5_files = era5_files + self.carra2_files = carra2_files + self.image_size = image_size + + def __len__(self): + return len(self.era5_files) + + def _load_image(self, path): + img = Image.open(path).convert("RGB") + img = img.resize((self.image_size, self.image_size), Image.BICUBIC) + arr = np.array(img).astype(np.float32) + arr = arr / 127.5 - 1.0 + tensor = torch.from_numpy(np.transpose(arr, (2, 0, 1))).float() + return tensor + + def __getitem__(self, idx): + return ( + self._load_image(self.era5_files[idx]), + self._load_image(self.carra2_files[idx]), + os.path.basename(self.era5_files[idx]), + ) + +def collate_with_fnames(batch): + era5s, carra2s, fnames = zip(*batch) + era5_batch = torch.stack(era5s, dim=0) + carra2_batch = torch.stack(carra2s, dim=0) + return era5_batch, carra2_batch, list(fnames) diff --git a/S4_ddpm/src_diffusion/evaluate_process.py b/S4_ddpm/src_diffusion/evaluate_process.py new file mode 100644 index 0000000..602d4eb --- /dev/null +++ b/S4_ddpm/src_diffusion/evaluate_process.py @@ -0,0 +1,202 @@ +#!/usr/bin/env python3 +""" +Main evaluation process. +""" + +import os +import glob +import math +import traceback +import torch +import torch.distributed as dist +from torch.utils.data import DataLoader +import numpy as np +import csv + +from src_diffusion.evaluate_dataset import PairedImageDataset, collate_with_fnames +from src_diffusion.evaluate_utils import ( + save_image, load_state_dict_from_checkpoint, + save_to_netcdf_2d, save_error_trace +) +from src_diffusion.diffusion_dist import create_model_and_diffusion, model_and_diffusion_defaults + +def evaluate_process(rank, world_size, args, LOG): + LOG.info("Starting evaluate_process") + + if world_size is None: + device = torch.device("cuda:0" if args.device == "cuda" and torch.cuda.is_available() else "cpu") + else: + local_rank = int(os.environ.get("LOCAL_RANK", rank)) + if torch.cuda.is_available(): + n_local_gpus = torch.cuda.device_count() + if local_rank >= n_local_gpus: + raise RuntimeError(f"LOCAL_RANK {local_rank} >= available GPUs {n_local_gpus}. Adjust nproc_per_node or CUDA_VISIBLE_DEVICES.") + device = torch.device(f"cuda:{local_rank}" if torch.cuda.is_available() and args.device == "cuda" else "cpu") + + era5_files = sorted(glob.glob(os.path.join(args.era5_dir, "*.png"))) + carra2_files = sorted(glob.glob(os.path.join(args.carra2_dir, "*.png"))) + if len(era5_files) == 0: + raise RuntimeError("No ERA5 files found in " + args.era5_dir) + if len(era5_files) != len(carra2_files): + raise RuntimeError("ERA5/CARRA2 file count mismatch") + + total_len = len(era5_files) + if world_size is None: + start_idx, end_idx = 0, total_len + else: + per_rank = math.ceil(total_len / world_size) + start_idx = rank * per_rank + end_idx = min(start_idx + per_rank, total_len) + + shard_era5 = era5_files[start_idx:end_idx] + shard_carra2 = carra2_files[start_idx:end_idx] + + dataset = PairedImageDataset(shard_era5, shard_carra2, args.image_size) + if len(dataset) == 0: + LOG.warning(f"Empty dataset shard for rank {rank} (start {start_idx}, end {end_idx}). Syncing and exiting.") + if dist.is_initialized(): + try: + dist.barrier() + except Exception: + pass + return + + loader = DataLoader(dataset, batch_size=args.batch_size, shuffle=False, + num_workers=0, collate_fn=collate_with_fnames) + + defaults = model_and_diffusion_defaults() + cli_keys = ["image_size","num_channels","num_res_blocks","num_heads","attention_resolutions", + "dropout","learn_sigma","sigma_small","class_cond","diffusion_steps","noise_schedule"] + for k in cli_keys: + v = getattr(args, k, None) + if v is not None: + defaults[k] = v + defaults["image_size"] = args.image_size + + model, diffusion = create_model_and_diffusion(**defaults) + try: + model.to(device) + except Exception as e: + raise RuntimeError(f"Failed to move model to device {device}: {e}") + + checkpoint_files = sorted(glob.glob(os.path.join(args.checkpoint_dir, "*.pt"))) + if len(checkpoint_files) == 0: + raise RuntimeError("No checkpoints found in " + args.checkpoint_dir) + + best_rmse_overall = float("inf") + best_checkpoint = None + best_overall_image = None + best_overall_fname = None + + ml_min_img = None + best_rmse_val = float('inf') + + csv_path = os.path.join(args.output_dir, f"statistics_rank{rank}.csv") + with open(csv_path, "w", newline="") as csvfile: + writer = csv.writer(csvfile) + writer.writerow(["checkpoint","image","rmse","mse"]) + + checkpoint_rmses = {} + for ckpt_path in checkpoint_files: + try: + state = load_state_dict_from_checkpoint(ckpt_path) + model.load_state_dict(state) + except Exception as e: + LOG.error(f"Could not load {ckpt_path}: {e}") + tb = traceback.format_exc() + save_error_trace(args.output_dir, rank, tb) + continue + model.eval() + + rmse_total = 0.0 + count = 0 + all_rmses = [] + + with torch.no_grad(): + for era5, carra2, fnames in loader: + era5 = era5.to(device) + carra2 = carra2.to(device) + B = era5.shape[0] + + samples_list = [] + for s in range(args.num_samples): + model_kwargs = {args.cond_key: era5} if args.cond_key else {} + sample_batch = diffusion.p_sample_loop( + model, + (B, 3, args.image_size, args.image_size), + device=device, + model_kwargs=model_kwargs + ) + if isinstance(sample_batch, (list, tuple)): + sample_batch = sample_batch[0] + samples_list.append(sample_batch) + + samples_stack = torch.stack(samples_list, dim=0) + mse_per_sample = ((samples_stack - era5.unsqueeze(0)) ** 2).mean(dim=[2,3,4]) + + best_idxs = mse_per_sample.argmin(dim=0) + arange = torch.arange(B, device=best_idxs.device) + best_samples = samples_stack[best_idxs, arange] + best_mses = mse_per_sample[best_idxs, arange] + + rmse_batch = torch.sqrt(best_mses).sum().item() + rmse_total += rmse_batch + count += B + + for b in range(B): + rmse_val = math.sqrt(best_mses[b].item()) + mse_val = best_mses[b].item() + all_rmses.append(rmse_val) + writer.writerow([os.path.basename(ckpt_path), fnames[b], rmse_val, mse_val]) + + if rmse_val < best_rmse_overall: + best_rmse_overall = rmse_val + best_checkpoint = ckpt_path + best_overall_image = best_samples[b].cpu().numpy().transpose(1,2,0) + best_overall_fname = fnames[b] + + if rmse_val < best_rmse_val: + best_rmse_val = rmse_val + ml_min_img = best_samples[b].cpu().numpy().transpose(1,2,0) + + out_fname = f"UQ.png" + out_path = os.path.join(args.output_dir, out_fname) + best_img = best_samples[b].cpu().numpy().transpose(1,2,0) + img_array = ((best_img + 1.0) * 127.5).astype(np.uint8) + save_image(img_array, out_path) + + rmse_avg = rmse_total / max(count, 1) + checkpoint_rmses[os.path.basename(ckpt_path)] = all_rmses + LOG.info(f"Checkpoint {os.path.basename(ckpt_path)}: RMSE={rmse_avg:.4f}") + + LOG.info(f"Best checkpoint: {best_checkpoint} with RMSE={best_rmse_overall:.4f}") + + # + + if ml_min_img is None: + raise RuntimeError("ML input are missing; cannot create NetCDF file.") + + if len(ml_min_img.shape) == 3: + ml_min_img_gray = np.dot(ml_min_img[...,:3], [0.2989, 0.5870, 0.1140]) + else: + ml_min_img_gray = ml_min_img + + # Optional + if ml_min_img_gray is not None: + raw_nc_filename = os.path.join(args.output_dir, "UQ_raw.nc") + save_to_netcdf_2d( + ml_min_img_gray, + raw_nc_filename, + variable_name="UQ_raw", + units="original_units", + LOG=LOG, + boundary=0, # No boundary processing + normalize_interior=False # No normalization + ) + + + if dist.is_initialized(): + try: + dist.barrier() + except Exception: + pass diff --git a/S4_ddpm/src_diffusion/evaluate_utils.py b/S4_ddpm/src_diffusion/evaluate_utils.py new file mode 100644 index 0000000..c56cd0f --- /dev/null +++ b/S4_ddpm/src_diffusion/evaluate_utils.py @@ -0,0 +1,339 @@ +#!/usr/bin/env python3 +""" +Utility functions for the evaluation pipeline. +""" +import os +import sys +import logging +import traceback +import torch +import torch.distributed as dist +import numpy as np +from PIL import Image +import matplotlib.pyplot as plt +import netCDF4 as nc +from scipy.interpolate import RegularGridInterpolator + + +def setup_rank_logging(output_dir, rank): + os.makedirs(output_dir, exist_ok=True) + log_path = os.path.join(output_dir, f"rank_{rank}.log") + + logger_name = f"evaluate.rank{rank}" + logger = logging.getLogger(logger_name) + logger.setLevel(logging.INFO) + + for h in list(logger.handlers): + logger.removeHandler(h) + + stream_handler = logging.StreamHandler(sys.stdout) + file_handler = logging.FileHandler(log_path) + + fmt_str = f"%(asctime)s [rank {rank}] %(levelname)s: %(message)s" + fmt = logging.Formatter(fmt_str) + + stream_handler.setFormatter(fmt) + file_handler.setFormatter(fmt) + + logger.addHandler(stream_handler) + logger.addHandler(file_handler) + logger.propagate = False + return logger + +def save_error_trace(output_dir, rank, tb): + os.makedirs(output_dir, exist_ok=True) + path = os.path.join(output_dir, f"error_rank{rank}.log") + with open(path, "w") as f: + f.write(tb) + return path + +def save_image(img_array, filename, data=None, upscale_factor=4, dpi=100): + os.makedirs(os.path.dirname(filename), exist_ok=True) + + img_array_clipped = np.clip(img_array, 0, 255) + img = Image.fromarray(np.uint8(img_array_clipped)) + + new_width = img.width * upscale_factor + new_height = img.height * upscale_factor + new_size = (new_width, new_height) + + img_upscaled = img.resize(new_size, resample=Image.BICUBIC) + + fig, ax = plt.subplots(figsize=(new_width/100, new_height/100), dpi=100) + + if data is not None and 'x' in data and 'y' in data: + x0, x1 = data['x'].min(), data['x'].max() + y0, y1 = data['y'].min(), data['y'].max() + + ax.set_xlim(x0, x1) + ax.set_ylim(y0, y1) + + domain_width = x1 - x0 + domain_height = y1 - y0 + if domain_height > 0: + aspect_ratio = domain_width / domain_height + ax.set_aspect(aspect_ratio) + + ax.imshow(np.array(img_upscaled), extent=[x0, x1, y0, y1] if data else None) + ax.axis('off') + + plt.savefig( + filename, + bbox_inches='tight', + pad_inches=0, + facecolor='white', + dpi=dpi, + transparent=False + ) + plt.close(fig) + +def save_image_simple1(img_array, filename, upscale_factor=4): + os.makedirs(os.path.dirname(filename), exist_ok=True) + + img_array_clipped = np.clip(img_array, 0, 255) + img = Image.fromarray(np.uint8(img_array_clipped)) + + new_width = img.width * upscale_factor + new_height = img.height * upscale_factor + new_size = (new_width, new_height) + + img_upscaled = img.resize(new_size, resample=Image.BICUBIC) + img_upscaled.save(filename, quality=95) + +def load_state_dict_from_checkpoint(ckpt_path): + try: + state = torch.load(ckpt_path, map_location="cpu", weights_only=True) + except TypeError: + state = torch.load(ckpt_path, map_location="cpu") + if isinstance(state, dict): + for key in ("state_dict", "model_state_dict", "model", "state"): + if key in state and isinstance(state[key], dict): + return state[key] + if all(isinstance(v, torch.Tensor) for v in state.values()): + return state + raise RuntimeError(f"Checkpoint {ckpt_path} doesn't contain a usable state_dict.") + +def normalize_range(data, target_min=0.0, target_max=3.0): + """ + """ + data_min = np.min(data) + data_max = np.max(data) + + if data_max > data_min: + normalized = target_min + (data - data_min) * (target_max - target_min) / (data_max - data_min) + else: + normalized = np.full_like(data, (target_min + target_max) / 2.0) + + return normalized, data_min, data_max + +def process_with_boundary_normalization(data, boundary=5, fill_value=-9999.0, + normalize=True, target_min=0.0, target_max=3.0): + """ + """ + ny, nx = data.shape + + # Create output array with fill_value + output = np.full((ny, nx), fill_value, dtype=np.float32) + + # Calculate interior region + y_start, y_end = boundary, ny - boundary + x_start, x_end = boundary, nx - boundary + + # Check if boundary size is valid + if y_start >= y_end or x_start >= x_end: + raise ValueError(f"Boundary {boundary} too large for data dimensions {ny}x{nx}") + + # Extract interior + interior = data[y_start:y_end, x_start:x_end] + + # Normalize interior if requested + if normalize and interior.size > 0: + interior_norm, orig_min, orig_max = normalize_range(interior, target_min, target_max) + else: + interior_norm = interior.copy() + orig_min = np.min(interior) if interior.size > 0 else 0.0 + orig_max = np.max(interior) if interior.size > 0 else 0.0 + + # Put processed interior into output array + output[y_start:y_end, x_start:x_end] = interior_norm + + # Calculate statistics + fill_count = np.sum(output == fill_value) + valid_count = np.sum(output != fill_value) + + stats = { + 'original_shape': (ny, nx), + 'original_min': float(np.min(data)), + 'original_max': float(np.max(data)), + 'original_mean': float(np.mean(data)), + 'interior_shape': (y_end - y_start, x_end - x_start), + 'interior_min': float(orig_min), + 'interior_max': float(orig_max), + 'normalized_min': float(np.min(interior_norm)) if interior_norm.size > 0 else 0.0, + 'normalized_max': float(np.max(interior_norm)) if interior_norm.size > 0 else 0.0, + 'fill_count': int(fill_count), + 'valid_count': int(valid_count), + 'boundary_size': boundary, + 'fill_value': fill_value, + 'normalized': normalize, + 'target_range': (target_min, target_max) + } + + return output, stats +#------------------------------NetCDF file out------------------ +def save_to_netcdf_2d( + data, + filename, + variable_name="UQ", + units="Kelvin", + LOG=None, + boundary=0, + fill_value=None, + normalize_interior=False, + target_min=0.0, + target_max=3.0, +): + os.makedirs(os.path.dirname(filename), exist_ok=True) + + if data is None: + raise RuntimeError(f"No data provided for NetCDF file: {filename}") + + # ========================================================= + # Optional boundary processing + # ========================================================= + stats = None + if boundary > 0: + if fill_value is None: + fill_value = -9999.0 + + processed_data, stats = process_with_boundary_normalization( + data, + boundary, + fill_value, + normalize_interior, + target_min, + target_max, + ) + else: + processed_data = data.copy() + if fill_value is None: + fill_value = -9999.0 + + # ========================================================= + # Regrid to high resolution (2880 x 2880) + # ========================================================= + ny, nx = processed_data.shape + TARGET_Y, TARGET_X = 2880, 2880 + + y_src = np.linspace(0, ny - 1, ny) + x_src = np.linspace(0, nx - 1, nx) + y_tgt = np.linspace(0, ny - 1, TARGET_Y) + x_tgt = np.linspace(0, nx - 1, TARGET_X) + + masked = np.ma.masked_equal(processed_data, fill_value) + src_float = masked.filled(np.nan) + + interp = RegularGridInterpolator( + (y_src, x_src), + src_float, + bounds_error=False, + fill_value=np.nan, + ) + + Y, X = np.meshgrid(y_tgt, x_tgt, indexing="ij") + points = np.stack([Y.ravel(), X.ravel()], axis=-1) + + interp_data = interp(points).reshape(TARGET_Y, TARGET_X) + interp_data = np.where(np.isnan(interp_data), fill_value, interp_data) + + # ========================================================= + # Write NetCDF + # ========================================================= + with nc.Dataset(filename, "w", format="NETCDF4") as ncd: + ncd.createDimension("y", TARGET_Y) + ncd.createDimension("x", TARGET_X) + + var = ncd.createVariable( + variable_name, + "f4", + ("y", "x"), + fill_value=fill_value, + zlib=True, + complevel=4, + ) + + var[:, :] = np.flipud(interp_data) + var.units = "Kelvin" + var.resolution = "2880x2880" + + # ===================================================== + # CLEAN VARIABLE ATTRIBUTES (REMOVE UNNECESSARY) + # ===================================================== + REMOVE_VAR_ATTRS = { + "normalized_interior", + "original_min", + "original_max", + "interior_shape", + "valid_cell_count", + "fill_cell_count", + "normalization_range", + "jet_colormap_mapping", + "normalized_min", + "normalized_max", + "original_resolution", + "interpolation", + "boundary_size", + } + + for attr in list(var.ncattrs()): + if attr in REMOVE_VAR_ATTRS: + delattr(var, attr) + + # ===================================================== + # CLEAN GLOBAL ATTRIBUTES + # ===================================================== + ncd.description = "Generated uncertainty quantification data" + ncd.source = "Diffusion model evaluation script" + ncd.created = str(np.datetime64("now")) + ncd.created_by = "DDPM-ML model" + + if LOG: + LOG.info(f"High-resolution NetCDF saved: {filename}") + #--------------------------------------------------------------------------------------- + +def init_distributed_from_env(): + rank = None + world_size = None + if "RANK" in os.environ and "WORLD_SIZE" in os.environ: + rank = int(os.environ["RANK"]) + world_size = int(os.environ["WORLD_SIZE"]) + elif "LOCAL_RANK" in os.environ and "WORLD_SIZE" in os.environ: + rank = int(os.environ.get("LOCAL_RANK", 0)) + world_size = int(os.environ["WORLD_SIZE"]) + else: + return None, None + + try: + dist.init_process_group(backend="nccl", init_method="env://", rank=rank, world_size=world_size) + except Exception as e: + raise RuntimeError(f"Failed to init process group: {e}") + + try: + local_rank = int(os.environ.get("LOCAL_RANK", rank)) + torch.cuda.set_device(local_rank) + except Exception: + pass + + return rank, world_size + +def cleanup_distributed(): + if dist.is_initialized(): + try: + dist.barrier() + except Exception: + pass + try: + dist.destroy_process_group() + except Exception: + pass + diff --git a/S5_postporcess/README.md b/S5_postporcess/README.md new file mode 100644 index 0000000..1baeff0 --- /dev/null +++ b/S5_postporcess/README.md @@ -0,0 +1,117 @@ +# CARRA2 Coastline Plotting Tool + +Add coastlines and geographic features to CARRA2 uncertainty field plots. + +## Features + +- Plots data on North Polar Stereographic projection +- Adds coastlines and country borders +- Optional latitude/longitude gridlines with labels +- Optional colorbar +- Supports three input modes: + - **netcdf**: Upscaled netCDF files (2880x2880, grayscale normalized to [0,3]) + - **netcdf_raw**: Raw netCDF files (256x256, grayscale in [-1,1]) + - **png**: PNG files with jet colormap (inverted to recover physical values) + +## Quick Start + +### 1. Create the conda environment + +```bash +conda env create -f environment.yml +``` + +This creates an environment called `coastline_plotting` with all required dependencies. + +### 2. Run with the batch script + +Edit `run_coastlines.sh` to configure: +- `MODE`: Input mode (`netcdf`, `netcdf_raw`, or `png`) +- `DATETIMES`: List of datetime strings to process +- `INPUT_DIR` / `OUTPUT_DIR`: Input/output directories +- `SHOW_COLORBAR`: Set to 1 to show colorbar, 0 to hide +- `SHOW_GRIDLINES`: Set to 1 to show lat/lon gridlines, 0 to hide +- `SAVE_NETCDF`: Set to 1 to export clean netCDF (PNG mode only) +- `OUTPUT_RESOLUTION`: NetCDF grid size +- `VMIN` / `VMAX`: Color scale limits + +Then run: +```bash +chmod +x run_coastlines.sh +./run_coastlines.sh +``` + +### 3. Run for a single datetime + +```bash +conda activate coastline_plotting +python add_coastlines.py 2019050100 --mode png --colorbar --gridlines +``` + +## Command-Line Usage + +``` +usage: add_coastlines.py [-h] [--input-dir INPUT_DIR] [--output-dir OUTPUT_DIR] + [--colorbar] [--gridlines] [--vmin VMIN] [--vmax VMAX] + [--mode {netcdf,netcdf_raw,png}] + datetime + +Add coastlines to CARRA2 uncertainty field plots + +positional arguments: + datetime DateTime string in format YYYYMMDDHH (e.g., 2019050100) + +optional arguments: + -h, --help show this help message and exit + --input-dir, -i Input directory containing data files + (default: ../sample_data/input) + --output-dir, -o Output directory for PNG files + (default: ../sample_data/output) + --colorbar, -c Add colorbar to the plot + --gridlines, -g Add lat/lon gridlines with labels + --vmin VMIN Minimum value for color scale (default: 0.0) + --vmax VMAX Maximum value for color scale (default: 3.0) + --mode, -m Input mode: netcdf (upscaled), netcdf_raw (256x256), + or png (jet colormap) (default: netcdf) + --save-netcdf, -n Also save processed data as netCDF (PNG mode only) + --output-resolution, -r + NetCDF output resolution: 246 (small, ~490KB), + 2880 (full, ~64MB), or omit for native 754 (~2MB) +``` + +## Input Data + +The script expects files in one of three formats: + +| Mode | Filename Pattern | Resolution | Data Range | Border Removal | +|------|------------------|------------|------------|----------------| +| `netcdf` | `UQ_.nc` | 2880x2880 | [0, 3] K | 57 px | +| `netcdf_raw` | `UQ_raw_.nc` | 256x256 | [-1, 1] | 5 px | +| `png` | `UQ_.png` | 788x788 | jet RGB | 17 px | + +**Note**: The `png` mode inverts the jet colormap to recover physical values, which preserves more information than the grayscale-converted netCDF files. + +Grid parameters (CARRA2 domain): +- Domain center: 45W, 84N +- Projection reference: 30W, 90N (North Pole) +- Original grid resolution: 2.5 km + +## Dependencies + +- Python >= 3.9 +- numpy +- xarray +- netcdf4 +- matplotlib +- cartopy +- pyproj +- scipy (for PNG mode jet inversion) +- pillow (for PNG mode) + +## Output + +- PNG files with coastlines overlaid +- NetCDF files (optional, PNG mode only) with: + - Physical values in Kelvin (no padding) + - Projection coordinates (x, y in meters) + - Metadata (projection parameters, grid resolution) diff --git a/S5_postporcess/add_coastlines.py b/S5_postporcess/add_coastlines.py new file mode 100644 index 0000000..3be10b9 --- /dev/null +++ b/S5_postporcess/add_coastlines.py @@ -0,0 +1,488 @@ +# -*- coding: utf-8 -*- +""" +Add coastlines to CARRA2 uncertainty field plots using cartopy. + +Supports three input modes: +- netcdf: Upscaled netCDF files (2880x2880, grayscale normalized to [0,3]) +- netcdf_raw: Raw netCDF files (256x256, grayscale in [-1,1]) +- png: PNG files with jet colormap (inverted to get true physical values) +""" + +import numpy as np +import xarray as xr +import matplotlib.pyplot as plt +import cartopy.crs as ccrs +import cartopy.feature as cfeature +from PIL import Image +from matplotlib import cm +from scipy.spatial import cKDTree + +# CARRA2 base parameters (North Polar Stereographic) +# Original model config: NLON=2880, NLAT=2880, LONC=-45, LATC=84, LON0=-30, LAT0=90, GSIZE=2500 +CARRA2_BASE_NX = 2880 +CARRA2_BASE_DX = 2500.0 # meters + + +def get_carra2_params(input_size=None, border=0): + """ + Get CARRA2 grid parameters for a given input size and border. + + Parameters + ---------- + input_size : int or None + Input grid size (e.g., 2880, 256, 788). If None, returns base CARRA2 params. + border : int or None + Border size to remove from each side. If None, no border removal. + + Returns + ------- + params : dict + Grid parameters including projection info, resolution, and grid dimensions. + + Examples + -------- + >>> get_carra2_params() # Base CARRA2: 2880x2880, dx=2500m + >>> get_carra2_params(2880, 57) # Upscaled netCDF: 2766x2766 + >>> get_carra2_params(256, 5) # Raw netCDF: 246x246 + >>> get_carra2_params(788, 17) # PNG: 754x754 + """ + # Static projection parameters + params = { + 'central_longitude': -30.0, # LON0 - projection reference longitude + 'true_scale_latitude': 90.0, # LAT0 - North Pole + 'domain_center_lon': -45.0, # LONC + 'domain_center_lat': 84.0, # LATC + } + + # Calculate grid dimensions + if input_size is None: + # Base CARRA2 parameters + nx = ny = CARRA2_BASE_NX + dx = CARRA2_BASE_DX + else: + # Calculate grid size after border removal + nx = ny = input_size - 2 * border + # Grid resolution scales inversely with grid points + # (total domain extent is fixed at 2880 * 2500 m) + dx = CARRA2_BASE_DX * CARRA2_BASE_NX / nx + + params['nx'] = nx + params['ny'] = ny + params['grid_resolution'] = dx + + return params + + +def read_netcdf(nc_path): + """ + Read netCDF file and return data as numpy array. + + The UQ netCDF files contain a single data variable (the uncertainty field). + This function extracts that variable and returns it as a 2D numpy array. + """ + ds = xr.open_dataset(nc_path) + + # Print dataset summary for debugging + print("=== Reading netCDF ===") + var_name = list(ds.data_vars)[0] + da = ds[var_name] + print(f"Variable: {var_name}, shape: {da.shape}") + print(f"Range: [{float(da.min()):.4f}, {float(da.max()):.4f}]") + + return da.values + + +def read_png(png_path, vmin=0.0, vmax=3.0): + """ + Read PNG file and invert jet colormap to get physical values. + + Parameters + ---------- + png_path : str + Path to PNG file + vmin, vmax : float + The colorbar range used when creating the PNG + + Returns + ------- + data : array-like + Physical values array (same shape as input PNG, flipped to origin='lower') + """ + img = Image.open(png_path) + img_array = np.array(img)[:, :, :3] # Get RGB, ignore alpha + + print(f"=== Reading PNG ===") + print(f"Total shape: {img_array.shape}") + + # Invert jet colormap + physical, mask = invert_jet_rgb(img_array, vmin, vmax) + + # Analyze physical values in valid data region + valid_data = physical[mask] + print(f"Physical range: [{np.nanmin(valid_data):.4f}, {np.nanmax(valid_data):.4f}]") + + # Flip vertically: PNG has origin at top, we need origin at bottom + physical = np.flipud(physical) + + return physical + + +# Pre-compute jet colormap lookup table for RGB inversion +_JET_SCALARS = np.linspace(0, 1, 1000) +_JET_RGB = (cm.get_cmap('jet')(_JET_SCALARS)[:, :3] * 255).astype(np.uint8) +_JET_TREE = cKDTree(_JET_RGB) + + +def invert_jet_rgb(rgb_array, vmin=0.0, vmax=3.0): + """ + Invert jet colormap RGB values to physical values. + + Parameters + ---------- + rgb_array : array-like + RGB array of shape (H, W, 3) with values in [0, 255] + vmin, vmax : float + The original colorbar range used when creating the PNG + + Returns + ------- + physical : array-like + Physical values in [vmin, vmax] range + mask : array-like + Boolean mask where True = valid jet color, False = background + """ + flat_rgb = rgb_array.reshape(-1, 3) + distances, indices = _JET_TREE.query(flat_rgb) + + # Get scalar values [0, 1] and scale to physical range + scalars = _JET_SCALARS[indices] + physical = vmin + scalars * (vmax - vmin) + physical = physical.reshape(rgb_array.shape[:2]) + + # Mask out non-jet colors (background) based on RGB distance + mask = distances.reshape(rgb_array.shape[:2]) < 50 + + return physical, mask + + +def process_data(data, border=5, scale=True): + """ + Process diffusion model output by removing border and optionally scaling. + + Parameters + ---------- + data : array-like + Input data array + border : int + Border size to remove in pixels (5 for raw 256x256, 57 for upscaled 2880x2880) + scale : bool + If True, denormalize from [-1, 1] to [0, 3] K (for raw data) + If False, data is already in physical units (for upscaled data) + """ + print(f"\n=== Processing Data ===") + print(f"Input shape: {data.shape}, range: [{np.nanmin(data):.4f}, {np.nanmax(data):.4f}]") + + # Remove border + interior = data[border:-border, border:-border] + print(f"After border removal ({border}px): {interior.shape}") + + if scale: + # Denormalize: [-1, 1] -> [0, 3] K + result = (interior + 1) * 1.5 + print(f"After scaling to physical: [{result.min():.4f}, {result.max():.4f}] K") + else: + result = interior + print(f"Interior range: [{np.nanmin(result):.4f}, {np.nanmax(result):.4f}]") + + return result + + +def calculate_grid_extent(params): + """Calculate grid origin from domain center coordinates.""" + import pyproj + + # Create the projection + proj = pyproj.Proj(proj='stere', lat_0=90, lon_0=params['central_longitude'], + lat_ts=params['true_scale_latitude']) + + # Convert domain center to projection coordinates + x_center, y_center = proj(params['domain_center_lon'], params['domain_center_lat']) + + # Calculate grid origin (lower-left corner) + dx = params['grid_resolution'] + nx = params['nx'] + ny = params['ny'] + + x_origin = x_center - (nx / 2) * dx + y_origin = y_center - (ny / 2) * dx + + return x_origin, y_origin, x_center, y_center + + +def save_netcdf(data, output_file, params, diagnostic_plot=False): + """ + Save processed data to netCDF with projection coordinates. + + Parameters + ---------- + data : array-like + 2D data array (already processed with border removed) + output_file : str + Path to save the netCDF file + params : dict + Grid parameters dict (determines output resolution) + diagnostic_plot : bool + If True, save a diagnostic PNG plot alongside the netCDF + """ + from scipy.ndimage import zoom + + nx = params['nx'] + ny = params['ny'] + dx = params['grid_resolution'] + + print(f"\n=== Saving netCDF ===") + has_nan_in = np.any(np.isnan(data)) + print(f"Input: shape={data.shape}, min={np.nanmin(data):.4f}, mean={np.nanmean(data):.4f}, max={np.nanmax(data):.4f}, has_nan={has_nan_in}") + + # Resample if data shape doesn't match target grid + if nx != data.shape[0]: + scale_factor = nx / data.shape[0] + data_out = zoom(data, scale_factor, order=1) # bilinear interpolation + print(f"Resampled: {data.shape} -> {data_out.shape} (scale={scale_factor:.3f})") + else: + data_out = data + + # Diagnostics for output data + has_nan_out = np.any(np.isnan(data_out)) + print(f"Output: shape={data_out.shape}, min={np.nanmin(data_out):.4f}, mean={np.nanmean(data_out):.4f}, max={np.nanmax(data_out):.4f}, has_nan={has_nan_out}") + if has_nan_out: + n_nan = np.sum(np.isnan(data_out)) + print(f"WARNING: {n_nan} NaN values ({100*n_nan/data_out.size:.2f}%)") + + # Optional diagnostic plot + if diagnostic_plot: + diag_file = output_file.replace('.nc', '_diagnostic.png') + fig, ax = plt.subplots(figsize=(8, 8)) + im = ax.imshow(data_out, origin='lower', cmap='jet', vmin=0, vmax=3) + ax.set_title(f'NetCDF output: {data_out.shape[0]}x{data_out.shape[1]}, dx={dx:.0f}m') + plt.colorbar(im, ax=ax, label='Uncertainty (K)') + plt.savefig(diag_file, dpi=100, bbox_inches='tight') + plt.close() + print(f"Diagnostic plot: {diag_file}") + + x0, y0, _, _ = calculate_grid_extent(params) + + # Create coordinate arrays (cell centers) + x = x0 + (np.arange(nx) + 0.5) * dx + y = y0 + (np.arange(ny) + 0.5) * dx + + ds = xr.Dataset( + data_vars={ + 'uncertainty': (['y', 'x'], data_out.astype(np.float32), { + #'uncertainty': (['y', 'x'], data_out, { + 'units': 'K', + 'long_name': 'Temperature uncertainty estimate', + }) + }, + coords={ + 'x': (['x'], x, { + 'units': 'm', + 'long_name': 'x coordinate in projection', + 'standard_name': 'projection_x_coordinate', + }), + 'y': (['y'], y, { + 'units': 'm', + 'long_name': 'y coordinate in projection', + 'standard_name': 'projection_y_coordinate', + }), + }, + attrs={ + 'title': 'CARRA2 uncertainty estimate', + 'projection': 'North Polar Stereographic', + 'central_longitude': params['central_longitude'], + 'domain_center_lon': params['domain_center_lon'], + 'domain_center_lat': params['domain_center_lat'], + 'grid_resolution_m': dx, + } + ) + + ds.to_netcdf(output_file) + print(f"Saved netCDF: {output_file}") + + +def plot_with_coastlines(data, output_file, params, cmap='jet', vmin=None, vmax=None, + colorbar=False, gridlines=False): + """ + Plot data with coastlines using cartopy. + + Parameters + ---------- + data : array-like + 2D data array (already processed with border removed) + output_file : str + Path to save the output figure + params : dict + Grid parameters dict containing projection info + cmap : str + Colormap name (default: 'jet') + vmin, vmax : float + Color scale limits + colorbar : bool + Whether to add a colorbar (default: False) + gridlines : bool + Whether to add latitude/longitude gridlines with labels (default: False) + """ + + projection = ccrs.NorthPolarStereo( + central_longitude=params['central_longitude'] + ) + + fig, ax = plt.subplots(figsize=(10, 10), subplot_kw={'projection': projection}) + + dx = params['grid_resolution'] + nx = params['nx'] + ny = params['ny'] + + # Calculate extent from domain center + x0, y0, x_center, y_center = calculate_grid_extent(params) + + x1 = x0 + nx * dx + y1 = y0 + ny * dx + + print(f"Grid extent: x=[{x0:.0f}, {x1:.0f}], y=[{y0:.0f}, {y1:.0f}]") + print(f"Domain center: ({x_center:.0f}, {y_center:.0f})") + + # extent = [left, right, bottom, top] + im = ax.imshow(data, cmap=cmap, vmin=vmin, vmax=vmax, origin='lower', + extent=[x0, x1, y0, y1], transform=projection) + + # Add coastlines and features + ax.coastlines(resolution='50m', color='black', linewidth=1) + ax.add_feature(cfeature.BORDERS, linestyle=':', linewidth=0.5) + + # Add gridlines with labels if requested + if gridlines: + import matplotlib.ticker as mticker + gl = ax.gridlines(draw_labels=True, linewidth=1., color='gray', + alpha=0.7, linestyle='--', + x_inline=False, y_inline=True) + gl.top_labels = False + gl.bottom_labels = True + gl.xlabel_style = {'size': 8, 'color': 'black', 'rotation': 0} + gl.ylabel_style = {'size': 9, 'color': 'white'} + gl.xlocator = mticker.FixedLocator(range(-180, 181, 20)) + gl.ylocator = mticker.FixedLocator(range(50, 91, 10)) + #gl.xlabel_style = {'size': 14} + #gl.ylabel_style = {'size': 14} + + if colorbar: + plt.colorbar(im, ax=ax, shrink=0.8, label='Kelvin') + + plt.savefig(output_file, bbox_inches='tight', facecolor='white', dpi=100) + plt.close() + print(f"Saved: {output_file}") + + +if __name__ == "__main__": + import argparse + + parser = argparse.ArgumentParser( + description="Add coastlines to CARRA2 uncertainty field plots" + ) + parser.add_argument( + "datetime", + help="DateTime string in format YYYYMMDDHH (e.g., 2019050100)" + ) + parser.add_argument( + "--input-dir", "-i", + default="../sample_data/input", + help="Input directory containing netCDF files (default: ../sample_data/input)" + ) + parser.add_argument( + "--output-dir", "-o", + default="../sample_data/output", + help="Output directory for PNG files (default: ../sample_data/output)" + ) + parser.add_argument( + "--colorbar", "-c", + action="store_true", + help="Add colorbar to the plot" + ) + parser.add_argument( + "--gridlines", "-g", + action="store_true", + help="Add lat/lon gridlines with labels" + ) + parser.add_argument( + "--vmin", + type=float, default=0.0, + help="Minimum value for color scale (default: 0.0)" + ) + parser.add_argument( + "--vmax", + type=float, default=3.0, + help="Maximum value for color scale (default: 3.0)" + ) + parser.add_argument( + "--mode", "-m", + choices=["netcdf", "netcdf_raw", "png"], + default="netcdf", + help="Input mode: netcdf (upscaled), netcdf_raw (256x256), or png (jet colormap)" + ) + parser.add_argument( + "--save-netcdf", "-n", + action="store_true", + help="Also save processed data as netCDF (physical units, no padding)" + ) + parser.add_argument( + "--output-resolution", "-r", + type=int, choices=[246, 2880], + default=None, + help="NetCDF output resolution: 246 (ML model, small), 2880 (full CARRA2, large), or omit for native (754)" + ) + + args = parser.parse_args() + + + # Build file paths and read data based on mode + if args.mode == "png": + in_file = f"{args.input_dir}/UQ_{args.datetime}.png" + data = read_png(in_file, vmin=args.vmin, vmax=args.vmax) + border = 17 # Detected border size for PNG files + scale = False # Data is already in physical units after inversion + params = get_carra2_params(788, 17) # PNG: 754x754 + + elif args.mode == "netcdf_raw": + in_file = f"{args.input_dir}/UQ_raw_{args.datetime}.nc" + data = read_netcdf(in_file) + border = 5 # Border size to remove for raw data + scale = True # Need to scale from [-1, 1] to [0, 3] K + params = get_carra2_params(256, 5) # Raw netCDF: 246x246 + + else: # netcdf + in_file = f"{args.input_dir}/UQ_{args.datetime}.nc" + data = read_netcdf(in_file) + border = 57 # Border size to remove for upscaled data + scale = False + params = get_carra2_params(2880, 57) # Upscaled netCDF: 2766x2766 + + # process data by removing white border and scaling data + print(f"\nPlotting UQ estimate, shape: {data.shape}") + data = process_data(data, border=border, scale=scale) + + # Plot with coastlines + out_file = f"{args.output_dir}/UQ_{args.datetime}.png" + plot_with_coastlines( + data, out_file, params, + vmin=args.vmin, vmax=args.vmax, + colorbar=args.colorbar, + gridlines=args.gridlines + ) + + # Save as netCDF if requested + if args.save_netcdf and args.mode == "png": + nc_out = out_file.replace('.png', '.nc') + nc_params = get_carra2_params(args.output_resolution) + save_netcdf(data, nc_out, nc_params) + + print("\nDone!") diff --git a/S5_postporcess/environment.yml b/S5_postporcess/environment.yml new file mode 100644 index 0000000..fff0c74 --- /dev/null +++ b/S5_postporcess/environment.yml @@ -0,0 +1,13 @@ +name: coastline_plotting +channels: + - conda-forge +dependencies: + - python>=3.9 + - numpy + - xarray + - netcdf4 + - matplotlib + - cartopy + - pyproj + - scipy + - pillow diff --git a/S5_postporcess/run_coastlines.sh b/S5_postporcess/run_coastlines.sh new file mode 100644 index 0000000..40c84a1 --- /dev/null +++ b/S5_postporcess/run_coastlines.sh @@ -0,0 +1,103 @@ +#!/bin/sh +#------------------------------- +##SBATCH --job-name=coastelline +##SBATCH --output=coastel.out +##SBATCH --error=coastel.out +##SBATCH --nodes=1 +##SBATCH --mem=60GB +##SBATCH --time=36:00:00 +#------------------------------- + +# ============================================================================= +# Run script for adding coastlines to CARRA2 uncertainty plots +# Full year 2019, 4 UTC times per day +# ============================================================================= + +set -e # Exit on error + +# ----------------------------------------------------------------------------- +# Configuration +# ----------------------------------------------------------------------------- +ENV_NAME="climate" +INPUT_DIR="XXX" +OUTPUT_DIR="YYY" + +MODE="png" + +SHOW_COLORBAR=1 +SHOW_GRIDLINES=1 +SAVE_NETCDF=1 + +OUTPUT_RESOLUTION="2880" +#OUTPUT_RESOLUTION="2880" + +VMIN=0.0 +VMAX=3.0 + +START_DATE="2019-01-01" +END_DATE="2019-12-31" +UTC_HOURS=("00" "06" "12" "18") + +# ----------------------------------------------------------------------------- +# Activate conda environment +# ----------------------------------------------------------------------------- +echo "Activating conda environment: $ENV_NAME" +source "$(conda info --base)/etc/profile.d/conda.sh" +conda activate "$ENV_NAME" + +if [ "$CONDA_DEFAULT_ENV" != "$ENV_NAME" ]; then + echo "ERROR: Failed to activate conda environment '$ENV_NAME'" + exit 1 +fi + +echo "Environment activated successfully" +echo "Python: $(which python)" +echo "" + +# ----------------------------------------------------------------------------- +# Verify input directory and create output directory +# ----------------------------------------------------------------------------- +if [ ! -d "$INPUT_DIR" ]; then + echo "ERROR: Input directory does not exist: $INPUT_DIR" + exit 1 +fi + +mkdir -p "$OUTPUT_DIR" + +# ----------------------------------------------------------------------------- +# Build command-line options +# ----------------------------------------------------------------------------- +OPTS="--mode $MODE" +[ "$SHOW_COLORBAR" -eq 1 ] && OPTS="$OPTS --colorbar" +[ "$SHOW_GRIDLINES" -eq 1 ] && OPTS="$OPTS --gridlines" +[ "$SAVE_NETCDF" -eq 1 ] && OPTS="$OPTS --save-netcdf" +[ -n "$OUTPUT_RESOLUTION" ] && OPTS="$OPTS --output-resolution $OUTPUT_RESOLUTION" + +# ----------------------------------------------------------------------------- +# Main loop: full year 2019, 4 UTC per day +# ----------------------------------------------------------------------------- +echo "Processing full year 2019 (4 UTC per day)..." +echo "" + +current_date="$START_DATE" + +while [ "$current_date" != "$(date -I -d "$END_DATE + 1 day")" ]; do + ymd=$(date -d "$current_date" +"%Y%m%d") + + for hh in "${UTC_HOURS[@]}"; do + DT="${ymd}${hh}" + + echo "=== Processing: $DT ===" + python add_coastlines.py "$DT" \ + --input-dir "$INPUT_DIR" \ + --output-dir "$OUTPUT_DIR" \ + --vmin "$VMIN" \ + --vmax "$VMAX" \ + $OPTS + echo "" + done + + current_date=$(date -I -d "$current_date + 1 day") +done + +echo "All done!" diff --git a/UQ_OUTPUT/IMAGE/UQ_2019010100.png b/UQ_OUTPUT/IMAGE/UQ_2019010100.png new file mode 100755 index 0000000..3b6fbd4 Binary files /dev/null and b/UQ_OUTPUT/IMAGE/UQ_2019010100.png differ diff --git a/UQ_OUTPUT/IMAGE/UQ_2019010106.png b/UQ_OUTPUT/IMAGE/UQ_2019010106.png new file mode 100755 index 0000000..ce6c37d Binary files /dev/null and b/UQ_OUTPUT/IMAGE/UQ_2019010106.png differ diff --git a/UQ_OUTPUT/IMAGE/UQ_2019010112.png b/UQ_OUTPUT/IMAGE/UQ_2019010112.png new file mode 100755 index 0000000..c713f90 Binary 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