Match comparison for Hartree energy (match type 21129)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.596187412000000e+01 | 4.250000000000000e-02 | 3.596193362962963e+01 | 4.167109443130060e-07 | 3.596193403500000e+01 | 1.024999999543752e-06 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 35.96187412, precision: 0.0425| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| spack_foss-2022a_serial_min | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| foss-2022a_ppc | 3.596193376000000e+01 | 5.964000000346914e-05 | 1.403294117728686e-03 | PASS |
| spack_foss-2022a_serial_opt | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| spack_foss-2022a_serial | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| foss-2022a_opt | 3.596193356000000e+01 | 5.944000000113192e-05 | 1.398588235320751e-03 | PASS |
| intel-2022b | 3.596193311000000e+01 | 5.898999999942589e-05 | 1.387999999986491e-03 | PASS |
| intel-2022a | 3.596193311000000e+01 | 5.898999999942589e-05 | 1.387999999986491e-03 | PASS |
| spack_foss-2022a_serial_omp | 3.596193367000000e+01 | 5.955000000312793e-05 | 1.401176470661834e-03 | PASS |
| cmake_foss_2022a_full_mpi | 3.596193506000000e+01 | 6.094000000445021e-05 | 1.433882353045887e-03 | PASS |
| spack_foss-2022a_serial_debug | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| foss-2022a_omp | 3.596193301000000e+01 | 5.889000000536271e-05 | 1.385647058949711e-03 | PASS |
| intel-2022a_omp | 3.596193338000000e+01 | 5.926000000044951e-05 | 1.394352941187047e-03 | PASS |
| intel-2022b_impi | 3.596193431000000e+01 | 6.018999999923835e-05 | 1.416235294099726e-03 | PASS |
| intel-2022a_impi | 3.596193431000000e+01 | 6.018999999923835e-05 | 1.416235294099726e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | 3.596193308000000e+01 | 5.896000000404911e-05 | 1.387294117742332e-03 | PASS |
| eb_fosscuda-2022a | 3.596193387000000e+01 | 5.975000000546515e-05 | 1.405882353069768e-03 | PASS |
| cmake_foss_2022a_min_serial | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| foss-2022a_mpi_omp | 3.596193383000000e+01 | 5.971000000215554e-05 | 1.404941176521307e-03 | PASS |
| cmake_foss_2022a_min_mpi | 3.596193344000000e+01 | 5.932000000541393e-05 | 1.395764706009739e-03 | PASS |
| eb_foss-2022a | 3.596193356000000e+01 | 5.944000000113192e-05 | 1.398588235320751e-03 | PASS |
| eb_foss-2022b_libxc6 | 3.596193357000000e+01 | 5.945000000195932e-05 | 1.398823529457866e-03 | PASS |
| eb_foss-2022a_debug | 3.596193356000000e+01 | 5.944000000113192e-05 | 1.398588235320751e-03 | PASS |
| intel-2022a_omp_impi | 3.596193337000000e+01 | 5.924999999962210e-05 | 1.394117647049932e-03 | PASS |
| eb_foss-2022a_mpi | 3.596193364000000e+01 | 5.952000000064572e-05 | 1.400470588250487e-03 | PASS |
| eb_foss-2022b_libxc6_mpi | 3.596193320000000e+01 | 5.907999999976710e-05 | 1.390117647053343e-03 | PASS |
| eb_foss-2022a_mpi_debug | 3.596193364000000e+01 | 5.952000000064572e-05 | 1.400470588250487e-03 | PASS |