Match comparison for Hartree energy (match type 23860)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.510589381000000e+01 | 3.000000000000000e-06 | 6.510589396782608e+01 | 5.788666330297799e-07 | 6.510589401000000e+01 | 8.399999984476381e-07 | PASS |
Checks for this match
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Detailed information
Reference: 65.10589381, precision: 0.000003| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 6.510589317000000e+01 | -6.399999961104186e-07 | -2.133333320368062e-01 | PASS |
| spack_foss-2023a_serial_min | 6.510589317000000e+01 | -6.399999961104186e-07 | -2.133333320368062e-01 | PASS |
| spack_foss-2023a_serial | 6.510589317000000e+01 | -6.399999961104186e-07 | -2.133333320368062e-01 | PASS |
| spack_foss-2022a_serial | 6.510589317000000e+01 | -6.399999961104186e-07 | -2.133333320368062e-01 | PASS |
| spack_foss-2023a_serial_opt | 6.510589317000000e+01 | -6.399999961104186e-07 | -2.133333320368062e-01 | PASS |
| spack_foss-2023b_serial | 6.510589317000000e+01 | -6.399999961104186e-07 | -2.133333320368062e-01 | PASS |
| spack_foss-2022a_ppc | 6.510589426999999e+01 | 4.599999954280065e-07 | 1.533333318093355e-01 | PASS |
| spack_foss-2022a_mpi_min | 6.510589443000001e+01 | 6.200000086664659e-07 | 2.066666695554886e-01 | PASS |
| spack_foss-2023a_mpi_min | 6.510589443000001e+01 | 6.200000086664659e-07 | 2.066666695554886e-01 | PASS |
| spack_foss-2023a_serial_omp | 6.510589458000000e+01 | 7.699999997612395e-07 | 2.566666665870798e-01 | PASS |
| spack_foss-2023a_serial_debug | 6.510589317000000e+01 | -6.399999961104186e-07 | -2.133333320368062e-01 | PASS |
| spack_foss-2023a_mpi_opt | 6.510589443000001e+01 | 6.200000086664659e-07 | 2.066666695554886e-01 | PASS |
| spack_foss-2022a_mpi | 6.510589443000001e+01 | 6.200000086664659e-07 | 2.066666695554886e-01 | PASS |
| spack_foss-2023a_mpi | 6.510589443000001e+01 | 6.200000086664659e-07 | 2.066666695554886e-01 | PASS |
| spack_foss-2022a_cuda_serial | 6.510589413000000e+01 | 3.199999980552093e-07 | 1.066666660184031e-01 | PASS |
| spack_foss-2023a_mpi_debug | 6.510589443000001e+01 | 6.200000086664659e-07 | 2.066666695554886e-01 | PASS |
| spack_foss-2023a_mpi_omp | 6.510589404000000e+01 | 2.299999977140033e-07 | 7.666666590466775e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 6.510589417000000e+01 | 3.600000013648241e-07 | 1.200000004549414e-01 | PASS |
| spack_intel-2023a_serial | 6.510589485000000e+01 | 1.040000000784858e-06 | 3.466666669282858e-01 | PASS |
| spack_intel-2022a_serial_omp | 6.510589358999999e+01 | -2.200000039920269e-07 | -7.333333466400897e-02 | PASS |
| spack_intel-2023a_serial_omp | 6.510589438000000e+01 | 5.699999974240200e-07 | 1.899999991413400e-01 | PASS |
| spack_intel-2022a_impi_omp | 6.510589455000000e+01 | 7.400000043844557e-07 | 2.466666681281519e-01 | PASS |
| spack_intel-2023a_impi | 6.510589392999999e+01 | 1.199999957179898e-07 | 3.999999857266327e-02 | PASS |