Unit test 3 fails

[mailhexu]

I run the unit tests and it seems the test3 failed. I attach the log below.
FYI, I tested on ubuntu23.04/gfortran 12.2/ openblas 0.3.21 /AMD Ryzen 3500U.

Log:

Test project /home/hexu/projects/greenX/build
Start 1: UNITTEST_test_pade_approximant
1/3 Test #1: UNITTEST_test_pade_approximant ... Passed 0.00 sec
Start 2: test_gx_minimax_grid
2/3 Test #2: test_gx_minimax_grid ............. Passed 1.78 sec
Start 3: test_gx_tabulate_minimax
3/3 Test #3: test_gx_tabulate_minimax .........***Failed 6.40 sec
============================= test session starts ==============================
platform linux -- Python 3.11.2, pytest-7.2.1, pluggy-1.0.0+repack
rootdir: /home/hexu/projects/greenX/build
plugins: xonsh-0.13.4
collected 1 item

test_gx_tabulate_minimax.py Binary source: /home/hexu/projects/greenX/build/bin/gx_tabulate_grids.exe
FTestdir: /tmp/pytest-of-hexu/pytest-3/test_tabulate_gx_minimax_grid0

=================================== FAILURES ===================================
________________________ test_tabulate_gx_minimax_grid _________________________

fortran_binary = PosixPath('/home/hexu/projects/greenX/build/bin/gx_tabulate_grids.exe')

def test_tabulate_gx_minimax_grid(fortran_binary):

    e_trans = ETrans(0.4, 100.0)

    ref_errors_small_grid = np.array([[6,  0, 2.51200821E-04, 1.88667240E-03, 6.86380679E-03, 5.56242714E-02, 2.50000000E+02],
                                      [8,  0, 9.26518238E-04, 7.02310800E-04, 8.97132915E-04, 1.49383520E-02, 2.50000000E+02],
                                      [10, 0, 2.93904398E-02, 4.15097815E-04, 9.85375147E-04, 3.87442807E-03, 2.50000000E+02],
                                      [12, 0, 1.22980779E-03, 5.40966369E-05, 3.23113268E-05, 9.86318209E-04, 2.50000000E+02],
                                      [14, 0, 1.23655331E-03, 1.47661838E-05, 6.49328520E-06, 2.46521564E-04, 2.50000000E+02],
                                      [16, 0, 3.23839478E-03, 4.75444516E-06, 7.88188993E-07, 7.70304736E-05, 2.50000000E+02],
                                      [18, 0, 6.23300174E-03, 1.34768466E-06, 3.45186001E-07, 1.94942501E-05, 2.50000000E+02],
                                      [20, 0, 2.62469251E-03, 2.86296043E-07, 3.67016068E-08, 4.88850816E-06, 2.50000000E+02],
                                      [22, 0, 1.90928278E-02, 6.87320737E-08, 2.59110779E-07, 2.68402248E-07, 2.50000000E+02]])

    ref_errors_big_grid = np.array([[24, 0, 2.49244180E-02, 1.41793908E-08, 1.44000650E-08, 1.31534820E-07, 2.50000000E+02],
                                    [26, 0, 2.64119033E-01, 4.12358436E-09, 4.74668548E-09, 3.78405299E-08, 2.50000000E+02],
                                    [28, 0, 4.13766945E+04, 3.93976513E-09, 5.94764298E-09, 4.30436032E-08, 2.50000000E+02],
                                    [30, 0, 1.24498840E+06, 4.50563448E-09, 3.15970462E-08, 5.14232632E-08, 2.50000000E+02],
                                    [32, 0, 1.29256892E+06, 4.17286994E-09, 6.30107694E-08, 4.94132290E-08, 2.50000000E+02],
                                    [34, 0, 1.32139161E+06, 8.10191277E-09, 3.86664983E-07, 6.66088501E-08, 2.50000000E+02]])

    tabulated_errors = get_tabulated_errors(fortran_binary, e_trans)
    tabulated_errors_small_grids = tabulated_errors[0:9, :]
    tabulated_errors_large_grids = tabulated_errors[9:, :]

    # Grids for which values do not get large or very small
    assert np.allclose(tabulated_errors_small_grids[:, Column.CosFTDualityError.value],
                       ref_errors_small_grid[:, Column.CosFTDualityError.value])

    assert np.allclose(tabulated_errors_small_grids[:, Column.MaxErrCosFTTimeToFreq.value],
                       ref_errors_small_grid[:, Column.MaxErrCosFTTimeToFreq.value])

    assert np.allclose(tabulated_errors_small_grids[:, Column.MaxErrCosFTFreqToTime.value],
                       ref_errors_small_grid[:, Column.MaxErrCosFTFreqToTime.value])

    assert np.allclose(tabulated_errors_small_grids[:, Column.MaxErrSinFTimeToFreq.value],
                       ref_errors_small_grid[:, Column.MaxErrSinFTimeToFreq.value])

    # Grids for which values do get large or very small
    assert np.allclose(tabulated_errors_large_grids[:, Column.MaxErrCosFTTimeToFreq.value],
                       ref_errors_big_grid[:, Column.MaxErrCosFTTimeToFreq.value],
                       atol=1.e-7)

  assert np.allclose(tabulated_errors_large_grids[:, Column.MaxErrCosFTFreqToTime.value],

                       ref_errors_big_grid[:, Column.MaxErrCosFTFreqToTime.value],
                       atol=1.e-7)

E assert False
E + where False = <function allclose at 0x7fb559e44a40>(array([1.44000655e-08, 4.74668609e-09, 5.94594904e-09, 7.14314387e-09,\n 1.21514300e-08, 6.46172347e-08]), array([1.44000650e-08, 4.74668548e-09, 5.94764298e-09, 3.15970462e-08,\n 6.30107694e-08, 3.86664983e-07]), atol=1e-07)
E + where <function allclose at 0x7fb559e44a40> = np.allclose

/home/hexu/projects/greenX/build/test/time-frequency/test_gx_tabulate_minimax.py:116: AssertionError
=========================== short test summary info ============================
FAILED test_gx_tabulate_minimax.py::test_tabulate_gx_minimax_grid - assert False
============================== 1 failed in 4.74s ===============================

67% tests passed, 1 tests failed out of 3

Total Test time (real) = 8.19 sec

The following tests FAILED:
3 - test_gx_tabulate_minimax (Failed)

[aziziph]

@fdelesma
Could you please take care of this?

[AlexBuccheri]

This is the last element of the array, with a diff of 3.2e-7. Just increase the tolerance slightly:

• Change atol to 5.e-7

[fdelesma]

Could you review the request #53 ?