Updating quadrature and testing

.github/workflows/nightly.yaml

@@ -27,12 +27,5 @@ jobs:
         shell: bash
         run: |
           module load opensn/clang/17 python3/3.12.3
-          cd OpenSn_Logo_CAD && mpirun -np 8 ../opensn/build/python/opensn -i opensn.py && cd ..
-          cd Urban_Source && mpirun -np 96 ../opensn/build/python/opensn -i urban_source.py && cd ..
-          cd HEU_MET_FAST_003 && mpirun -np 12 ../opensn/build/python/opensn -i HEU_MET_FAST_003.py && cd ..
-          cd Six_1g_spherical_benchmarks && mpirun -np 12 ../opensn/build/python/opensn -i Problem_1.py && cd ..
-          cd Six_1g_spherical_benchmarks && mpirun -np 12 ../opensn/build/python/opensn -i Problem_2.py && cd ..
-          cd Six_1g_spherical_benchmarks && mpirun -np 12 ../opensn/build/python/opensn -i Problem_3.py && cd ..
-          cd Six_1g_spherical_benchmarks && mpirun -np 12 ../opensn/build/python/opensn -i Problem_4.py && cd ..
-          cd Six_1g_spherical_benchmarks && mpirun -np 12 ../opensn/build/python/opensn -i Problem_5.py && cd ..
-          cd Six_1g_spherical_benchmarks && mpirun -np 12 ../opensn/build/python/opensn -i Problem_6.py && cd ..
+          export OPENSN=$PWD/opensn/build/python/opensn
+          python3 tests.py

HEU_MET_FAST_003/HEU_MET_FAST_003.py

@@ -88,7 +88,7 @@
         groupsets=[
             {
                 "groups_from_to": (0, num_groups - 1),
-                "angular_quadrature": GLCProductQuadrature3DXYZ(8, 16),
+                "angular_quadrature": GLCProductQuadrature3DXYZ(n_polar=8, n_azimuthal=16),
                 "inner_linear_method": "petsc_gmres",
                 "angle_aggregation_type": "single",
                 "angle_aggregation_num_subsets": 1,

OpenSn_Logo_CAD/opensn.py

@@ -39,9 +39,7 @@
     src = VolumetricSource(block_ids=[1], group_strength=src_strength)
 
     # Quadrature
-    Npolar = 8
-    Nazimuthal = 16
-    pquad = GLCProductQuadrature3DXYZ(Npolar, Nazimuthal)
+    pquad = GLCProductQuadrature3DXYZ(n_polar=8, n_azimuthal=16)
 
     # Solver
     phys = DiscreteOrdinatesProblem(

Six_1g_spherical_benchmarks/Problem_1.py

@@ -80,9 +80,7 @@
     bsrc = [1.0]
 
     # Angular quadrature
-    nazimu = 4
-    npolar = 2
-    pquad = GLCProductQuadrature3DXYZ(npolar, nazimu)
+    pquad = GLCProductQuadrature3DXYZ(n_polar=2, n_azimuthal=4)
 
     # Solver
     phys = DiscreteOrdinatesProblem(

Six_1g_spherical_benchmarks/Problem_2.py

@@ -80,9 +80,7 @@
     bsrc = [1.0]
 
     # Angular quadrature
-    nazimu = 4
-    npolar = 2
-    pquad = GLCProductQuadrature3DXYZ(npolar, nazimu)
+    pquad = GLCProductQuadrature3DXYZ(n_polar=2, n_azimuthal=4)
 
     # Solver
     phys = DiscreteOrdinatesProblem(

Six_1g_spherical_benchmarks/Problem_3.py

@@ -42,9 +42,7 @@
     mg_src = VolumetricSource(block_ids=[2], group_strength=[1.0])
 
     # Angular quadrature
-    nazimu = 4
-    npolar = 2
-    pquad = GLCProductQuadrature3DXYZ(npolar, nazimu)
+    pquad = GLCProductQuadrature3DXYZ(n_polar=2, n_azimuthal=4)
 
     # Solver
     phys = DiscreteOrdinatesProblem(

Six_1g_spherical_benchmarks/Problem_4.py

@@ -43,9 +43,7 @@
     bsrc = [1.0]
 
     # Angular quadrature
-    nazimu = 4
-    npolar = 2
-    pquad = GLCProductQuadrature3DXYZ(npolar, nazimu)
+    pquad = GLCProductQuadrature3DXYZ(n_polar=2, n_azimuthal=4)
 
     # Solver
     phys = DiscreteOrdinatesProblem(

Six_1g_spherical_benchmarks/Problem_5.py

@@ -43,9 +43,7 @@
     bsrc = [1.0]
 
     # Angular quadrature
-    nazimu = 4
-    npolar = 2
-    pquad = GLCProductQuadrature3DXYZ(npolar, nazimu)
+    pquad = GLCProductQuadrature3DXYZ(n_polar=2, n_azimuthal=4)
 
     # Solver
     phys = DiscreteOrdinatesProblem(

Six_1g_spherical_benchmarks/Problem_6.py

@@ -44,9 +44,7 @@
     mg_src = VolumetricSource(block_ids=[1], group_strength=[1.0])
 
     # Angular quadrature
-    nazimu = 4
-    npolar = 2
-    pquad = GLCProductQuadrature3DXYZ(npolar, nazimu)
+    pquad = GLCProductQuadrature3DXYZ(n_polar=2, n_azimuthal=4)
 
     # Solver
     phys = DiscreteOrdinatesProblem(

Urban_Source/urban_source.py

@@ -41,9 +41,7 @@
     src = VolumetricSource(block_ids=[2], group_strength=src_strength)
 
     # Quadrature
-    Npolar = 8
-    Nazimuthal = 16
-    pquad = GLCProductQuadrature3DXYZ(Npolar, Nazimuthal)
+    pquad = GLCProductQuadrature3DXYZ(n_polar=8, n_azimuthal=16)
 
     # Solver
     phys = DiscreteOrdinatesProblem(

test.py

@@ -0,0 +1,143 @@
+import os
+import sys
+import subprocess
+import re
+import pytest
+
+OPENSN = os.environ.get("OPENSN")
+
+# Test cases
+TEST_CASES = [
+    (
+        os.path.join("HEU_MET_FAST_003", "HEU_MET_FAST_003.py"),  # Directory name, input file name
+        {"k-eigenvalue:": 1.001655},                              # key, value to test or None
+        12,                                                       # Number of MPI ranks
+        1.0e-6                                                    # Tolerance or None
+    ),
+    (
+        os.path.join("OpenSn_Logo_CAD", "opensn.py"),
+        None,
+        8,
+        None,
+    ),
+    (
+        os.path.join("Urban_Source", "urban_source.py"),
+        None,
+        96,
+        None,
+    ),
+    (
+        os.path.join("Six_1g_spherical_benchmarks", "Problem_1.py"),
+        {"end-radius:": 1.00, "avg-value:": 8.212354},
+        12,
+        1.0e-6,
+    ),
+    (
+        os.path.join("Six_1g_spherical_benchmarks", "Problem_2.py"),
+        {"end-radius:": 1.00, "avg-value:": 8.212354},
+        12,
+        1.0e-6,
+    ),
+    (
+        os.path.join("Six_1g_spherical_benchmarks", "Problem_3.py"),
+        {"end-radius:": 1.00, "avg-value:": 0.105997},
+        12,
+        1.0e-6,
+    ),
+    (
+        os.path.join("Six_1g_spherical_benchmarks", "Problem_4.py"),
+        {"end-radius:": 1.00, "avg-value:": 12.144526},
+        12,
+        1.0e-6,
+    ),
+    (
+        os.path.join("Six_1g_spherical_benchmarks", "Problem_5.py"),
+        {"end-radius:": 1.00, "avg-value:": 11.660929},
+        12,
+        1.0e-6,
+    ),
+    (
+        os.path.join("Six_1g_spherical_benchmarks", "Problem_6.py"),
+        {"end-radius:": 1.00, "avg-value:": 0.033569},
+        12,
+        1.0e-6,
+    ),
+]
+
+
+@pytest.mark.parametrize("input_file, expected, mpi_ranks, rel_tol", TEST_CASES)
+def test_application_output(input_file, expected, mpi_ranks, rel_tol):
+    # Ensure OPENSN is set and executable
+    assert OPENSN, "OPENSN environment variable must be set"
+    assert os.path.isfile(OPENSN) and os.access(OPENSN, os.X_OK), \
+        f"OPENSN '{OPENSN}' not found or not executable"
+
+    # Input files and working directory
+    abs_input = os.path.abspath(input_file)
+    assert os.path.isfile(abs_input), f"Input file not found: {abs_input}"
+    cwd = os.path.dirname(abs_input)
+    inp = os.path.basename(abs_input)
+
+    # Validate mpi_ranks
+    assert isinstance(mpi_ranks, int) and mpi_ranks > 0, \
+        f"mpi_ranks must be a positive integer, got {mpi_ranks}"
+
+    # Run opensn
+    cmd = ["mpirun", "-n", str(mpi_ranks), OPENSN, "-i", inp]
+    result = subprocess.run(cmd, cwd=cwd, capture_output=True, text=True)
+    assert result.returncode == 0, (
+        f"Application exited with code {result.returncode}\n"
+        f"stdout:\n{result.stdout}\n"
+        f"stderr:\n{result.stderr}\n"
+    )
+
+    if expected is None or rel_tol is None:
+        return
+
+    # Validate rel_tol
+    assert isinstance(rel_tol, float) and rel_tol > 0.0, \
+        f"rel_tol must be a positive float, got {rel_tol}"
+
+    # Combine outputs and process line-by-line attempting to match key/value pairs
+    lines = (result.stdout + result.stderr).splitlines()
+    matched = False
+    for line in lines:
+        tokens = [tok for tok in re.split(r"[ ,]+", line.strip()) if tok]
+        ok = True
+        for key, exp_val in expected.items():
+            try:
+                idx = tokens.index(key)
+            except ValueError:
+                ok = False
+                break
+            if idx + 1 >= len(tokens):
+                ok = False
+                break
+            next_tok = tokens[idx + 1]
+            if isinstance(exp_val, (int, float)):
+                try:
+                    val = float(next_tok)
+                except ValueError:
+                    ok = False
+                    break
+                if not (val == pytest.approx(exp_val, rel=rel_tol)):
+                    ok = False
+                    break
+            else:
+                if next_tok != exp_val:
+                    ok = False
+                    break
+        if ok:
+            matched = True
+            break
+    if not matched:
+        full_output = result.stdout + " " + result.stderr
+        pytest.fail(f"No line matches expected key/value pairs: {expected}\n {full_output}")
+
+
+if __name__ == "__main__":
+    if not OPENSN or not os.path.isfile(OPENSN) or not os.access(OPENSN, os.X_OK):
+        print(f"Error: OPENSN '{OPENSN}' not found or not executable", file=sys.stderr)
+        sys.exit(1)
+    ret = pytest.main([os.path.abspath(__file__)])
+    sys.exit(0 if ret == 0 else 1)