MMS + fixing bug in FSG

conf/config.yaml

@@ -18,7 +18,7 @@ N: 32
 
 # Solver control
 tolerance: 1.0e-6
-max_iterations: 100000
+max_iterations: 500000
 
 # Experiment naming
 experiment_name: LDC-Dev

conf/experiment/validation/convergence/spectral-regu-100.yaml

@@ -0,0 +1,21 @@
+# @package _global_
+# Convergence test - Spectral solver with Saad regularization at Re=100
+# Sweep over N values with polynomial corner treatment
+
+defaults:
+  - override /solver: spectral/fsg
+  - override /validation: fv
+
+# MLflow experiment
+experiment_name: LDC-Convergence
+sweep_name: regu-Re100
+
+# Use Saad/polynomial corner treatment for regularized problem
+solver:
+  corner_treatment: saad
+
+hydra:
+  sweeper:
+    params:
+      Re: 100
+      N: 8, 10, 12, 14, 16, 18, 20, 24, 28, 32

conf/experiment/validation/convergence/spectral-regu-1000.yaml

@@ -8,7 +8,7 @@ defaults:
 
 # MLflow experiment
 experiment_name: LDC-Convergence
-sweep_name: regu-Re1000
+sweep_name: regu-Re1000-b
 
 # Use Saad/polynomial corner treatment for regularized problem
 solver:
@@ -18,4 +18,4 @@ hydra:
   sweeper:
     params:
       Re: 1000
-      N: 48, 64, 80, 96, 112, 128
+      N: 14, 16, 18, 20, 22, 24, 26, 28, 30

conf/experiment/validation/convergence/spectral-regu-400.yaml

@@ -18,4 +18,4 @@ hydra:
   sweeper:
     params:
       Re: 400
-      N: 24, 32, 40, 48, 56, 64
+      N: 10, 12, 14, 16, 18, 20, 24, 28, 32

conf/experiment/validation/ghia/spectral.yaml

@@ -7,14 +7,14 @@ defaults:
 
 # MLflow experiment
 experiment_name: LDC-Validation
-sweep_name: ghia-Re${Re}
+sweep_name: ghia-HPC
 
 # Validation parameters
 
 hydra:
   sweeper:
     params:
       # Sweep over spectral solver types
-      solver: spectral/fsg #,spectral/fsg
-      Re: 100
-      N: 12, 14, 16, 18, 20
+      solver: spectral/fsg #,spectral/vmg #, spectral/vmg
+      Re: 400, 1000
+      N: 12, 14, 16, 18, 20, 24, 28, 32, 36, 40, 46, 50, 56, 60, 64, 68, 74, 82, 86, 90

conf/experiment/validation/mms/spectral.yaml

@@ -0,0 +1,37 @@
+# MMS (Method of Manufactured Solutions) test for spectral solver
+#
+# Usage:
+#   uv run python scripts/test_sg_mms.py -m   # Uses default sweep N=6,8,10
+#   uv run python scripts/test_sg_mms.py -m N=6,8,10,12,14
+#   uv run python scripts/test_sg_mms.py N=10  # Single run
+
+defaults:
+  - override /hydra/launcher: joblib
+
+# MMS test parameters
+Re: 1  # Low Re for faster convergence (diffusion-dominated)
+tolerance: 1.0e-14
+max_iterations: 1000000
+
+# Grid size (use -m N=6,8,10 for sweep)
+N: 10
+
+# Solver-specific settings for MMS
+CFL: 0.2
+corner_treatment: smoothing
+corner_smoothing: 0.0  # No smoothing for MMS (exact BCs)
+
+# Hydra sweeper and parallel launcher
+hydra:
+  sweeper:
+    params:
+      N: 6,8,10,16,24,26,30,32,34,36
+      Re: 100
+  launcher:
+    n_jobs: 4
+  callbacks:
+    mms_plot:
+      _target_: callbacks.mms_callback.MMSPlotCallback
+
+# Output
+output_dir: outputs

conf/solver/spectral/fsg.yaml

@@ -12,6 +12,6 @@ name: spectral_fsg
 # FSG Multigrid settings
 multigrid: fsg
 n_levels: 3
-coarse_tolerance_factor: 10.0
+coarse_tolerance_factor: 1.0
 prolongation_method: fft
 restriction_method: fft

conf/solver/spectral/sg.yaml

@@ -17,7 +17,7 @@ max_iterations: ${max_iterations}
 
 # Spectral-specific parameters
 basis_type: chebyshev    # "chebyshev" or "legendre"
-CFL: 2.5
+CFL: 2.0
 beta_squared: 5.0        # artificial compressibility parameter
 
 # Corner singularity treatment

data/validation/botella/botella_Re1000_vortex.csv

@@ -0,0 +1,12 @@
+# Botella & Peyret (1998) - Benchmark spectral solution for lid-driven cavity
+# Reference: J. Comp. Phys. 179, 439-468 (2002) - Tables VIII and IX
+# Primary and secondary vortex characteristics at Re=1000 with regularized lid velocity
+# N=160 polynomial order (highest resolution benchmark)
+#
+# Primary vortex (PV): global minimum of streamfunction
+# BR (bottom-right): secondary vortex in bottom-right corner
+# BL (bottom-left): secondary vortex in bottom-left corner
+# TL (top-left): secondary vortex in top-left corner (absent at Re=1000)
+#
+Re,psi_min,psi_min_x,psi_min_y,omega_center,psi_BR,psi_BR_x,psi_BR_y,psi_BL,psi_BL_x,psi_BL_y
+1000,-0.1189366,0.5308,0.5652,2.067782,1.7520e-5,0.8640,0.1118,2.3072e-4,0.0833,0.0781

jobs/mms_sweep.sh

@@ -0,0 +1,46 @@
+#!/bin/bash
+#BSUB -J mms_sweep
+#BSUB -q hpc
+#BSUB -W 4:00
+#BSUB -n 16
+#BSUB -R "rusage[mem=8GB]"
+#BSUB -R "span[hosts=1]"
+#BSUB -o logs/mms_sweep_%J.out
+#BSUB -e logs/mms_sweep_%J.err
+
+# MMS (Method of Manufactured Solutions) validation sweep
+# Tests spectral convergence across multiple N values and Reynolds numbers
+#
+# Usage:
+#   bsub < jobs/mms_sweep.sh
+
+echo "============================================"
+echo "MMS Validation Sweep"
+echo "============================================"
+echo "Job ID: $LSB_JOBID"
+echo "Host: $(hostname)"
+echo "Date: $(date)"
+echo "============================================"
+
+# Create logs directory if needed
+mkdir -p logs
+
+# Change to project directory
+cd $HOME/ANA-P3 || { echo "Failed to cd to project dir"; exit 1; }
+
+# Run the MMS sweep (parameters from conf/experiment/validation/mms/spectral.yaml)
+echo ""
+echo "Starting MMS sweep..."
+echo ""
+
+uv run python scripts/test_sg_mms.py -m
+
+echo ""
+echo "============================================"
+echo "MMS sweep completed at $(date)"
+echo "============================================"
+
+# List generated figures
+echo ""
+echo "Generated figures:"
+ls -la figures/mms_*.pdf 2>/dev/null || echo "No figures found"

main.py

@@ -106,6 +106,9 @@ def run_solver(cfg: DictConfig) -> str:
             if batch:
                 mlflow.tracking.MlflowClient().log_batch(run.info.run_id, metrics=batch)
 
+        # Log validation metrics comparison table
+        solver.mlflow_log_validation_table()
+
         with tempfile.TemporaryDirectory() as tmpdir:
             vtk_path = Path(tmpdir) / "solution.vts"
             solver.to_vtk().save(str(vtk_path))

scripts/hpc_submit.py

@@ -118,8 +118,8 @@ def main():
     parser = argparse.ArgumentParser(description="Submit HPC job array")
     parser.add_argument("experiment", help="Experiment (e.g., +experiment/validation/ghia=fv)")
     parser.add_argument("--queue", "-q", default="hpc", help="LSF queue (default: hpc)")
-    parser.add_argument("--time", "-W", default="6:00", help="Wall time (default: 1:00)")
-    parser.add_argument("--cores", "-n", type=int, default=4, help="Cores per job (default: 4)")
+    parser.add_argument("--time", "-W", default="0:30", help="Wall time (default: 0:30)")
+    parser.add_argument("--cores", "-n", type=int, default=6, help="Cores per job (default: 4)")
     parser.add_argument("--mem", default="6GB", help="Memory per core (default: 4GB)")
     parser.add_argument("--dry-run", action="store_true", help="Show commands without submitting")
     parser.add_argument("--test-index", type=int, help="Test: show command for specific index")