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 | 3.596325246148147e+01 | 4.452387287402609e-03 | 3.597302721500000e+01 | 1.109398499999870e-02 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 35.96187412, precision: 0.0425| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | 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 |
| spack_foss-2023a_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 |
| spack_foss-2023b_serial | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| spack_foss-2023a_serial | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| spack_foss-2022a_ppc | 3.598412120000000e+01 | 2.224707999999964e-02 | 5.234607058823445e-01 | PASS |
| spack_foss-2022a_mpi_min | 3.596193506000000e+01 | 6.094000000445021e-05 | 1.433882353045887e-03 | PASS |
| spack_foss-2023a_mpi_min | 3.596193506000000e+01 | 6.094000000445021e-05 | 1.433882353045887e-03 | PASS |
| spack_foss-2023a_serial_omp | 3.596193407000000e+01 | 5.995000000069695e-05 | 1.410588235310516e-03 | PASS |
| spack_foss-2023a_serial_debug | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| spack_foss-2022a_cuda_serial | 3.596193401000000e+01 | 5.989000000283795e-05 | 1.409176470655010e-03 | PASS |
| spack_foss-2023a_mpi_opt | 3.596193506000000e+01 | 6.094000000445021e-05 | 1.433882353045887e-03 | PASS |
| spack_foss-2022a_mpi | 3.596193506000000e+01 | 6.094000000445021e-05 | 1.433882353045887e-03 | PASS |
| spack_foss-2023a_mpi | 3.596193506000000e+01 | 6.094000000445021e-05 | 1.433882353045887e-03 | PASS |
| cmake_foss_2022a_full_mpi | 3.596193506000000e+01 | 6.094000000445021e-05 | 1.433882353045887e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| spack_foss-2023a_mpi_debug | 3.596193506000000e+01 | 6.094000000445021e-05 | 1.433882353045887e-03 | PASS |
| spack_foss-2023a_mpi_omp | 3.596193391000000e+01 | 5.979000000166934e-05 | 1.406823529451043e-03 | PASS |
| cmake_foss_2022a_min_serial | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| cmake_foss_2022a_full_serial | 3.596193366000000e+01 | 5.954000000230053e-05 | 1.400941176524718e-03 | PASS |
| cmake_foss_2022a_min_mpi | 3.596193344000000e+01 | 5.932000000541393e-05 | 1.395764706009739e-03 | PASS |
| spack_intel-2023a_serial | 3.596193382000000e+01 | 5.970000000132814e-05 | 1.404705882384191e-03 | PASS |
| spack_intel-2022a_serial_omp | 3.596863865000000e+01 | 6.764530000005209e-03 | 1.591654117648284e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.596863865000000e+01 | 6.764530000005209e-03 | 1.591654117648284e-01 | PASS |
| spack_intel-2023a_impi | 3.596193323000000e+01 | 5.911000000224931e-05 | 1.390823529464690e-03 | PASS |
| spack_intel-2022a_impi_omp | 3.596193346000000e+01 | 5.933999999996331e-05 | 1.396235294116784e-03 | PASS |