diff --git a/test/test_benchmark_performance.py b/test/test_benchmark_performance.py index 880479f..b916c24 100644 --- a/test/test_benchmark_performance.py +++ b/test/test_benchmark_performance.py @@ -39,7 +39,11 @@ @pytest.mark.parametrize("molecule", ["methane", "benzene"]) def test_dense_eri(molecule): - opts, mol_str = nanoDFT_options(float32 = True, mol_str=molecule, backend="ipu") + opts, mol_str = nanoDFT_options( + float32 = True, + mol_str=molecule, + backend="ipu" + ) mol = build_mol(mol_str, opts.basis) _, _, ipu_cycles_stamps = nanoDFT(mol, opts, profile_performance=True) @@ -49,11 +53,15 @@ def test_dense_eri(molecule): end = np.asarray(end) diff = (end - start)[0][0][0] - print("----------------------------------------------------------------------------") + print( + "----------------------------------------------------------------------------" + ) print(" Diff cycle count:", diff) print(" Diff cycle count [M]:", diff/1e6) print("Estimated time of execution on Bow-IPU [seconds]:", diff/(1.85*1e9)) - print("----------------------------------------------------------------------------") + print( + "----------------------------------------------------------------------------" + ) assert True @@ -62,7 +70,13 @@ def test_dense_eri(molecule): @pytest.mark.parametrize("molecule", ["methane", "benzene", "c20"]) def test_sparse_eri(molecule): - opts, mol_str = nanoDFT_options(float32 = True, mol_str=molecule, backend="ipu", dense_ERI=False, eri_threshold=1e-9) + opts, mol_str = nanoDFT_options( + float32=True, + mol_str=molecule, + backend="ipu", + dense_ERI=False, + eri_threshold=1e-9 + ) mol = build_mol(mol_str, opts.basis) _, _, ipu_cycles_stamps = nanoDFT(mol, opts, profile_performance=True) @@ -72,10 +86,14 @@ def test_sparse_eri(molecule): end = np.asarray(end) diff = (end - start)[0][0][0] - print("----------------------------------------------------------------------------") + print( + "----------------------------------------------------------------------------" + ) print(" Diff cycle count:", diff) print(" Diff cycle count [M]:", diff/1e6) print("Estimated time of execution on Bow-IPU [seconds]:", diff/(1.85*1e9)) - print("----------------------------------------------------------------------------") + print( + "----------------------------------------------------------------------------" + ) - assert True \ No newline at end of file + assert True