Match comparison for Hartree energy (match type 28834)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.647640595000000e+01 | 1.320000000000000e-02 | 1.648829147133333e+01 | 5.476865671406329e-05 | 1.648821065000000e+01 | 1.217300000000421e-04 | PASS |
Checks for this match
- OpenMP builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 16.47640595, precision: 0.0132| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2023a_serial_min | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2022a_serial | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2023a_serial | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2023b_serial | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2022a_ppc | 1.648833238000000e+01 | 1.192642999999904e-02 | 9.035174242423518e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.648808892000000e+01 | 1.168296999999896e-02 | 8.850734848484061e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2022a_mpi | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2023a_mpi | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |