Match comparison for Hartree energy (match type 29807)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
2.808168520000000e+00 | 4.120000000000000e-07 | 2.808168554666667e+00 | 9.229421553338503e-08 | 2.808168715000000e+00 | 1.849999999858909e-07 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 2.80816852, precision: 0.000000412Run | Value | Difference | Relative difference | Status |
spack_foss-2022a_serial_min | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2023a_serial_min | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2022a_serial | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2023a_serial_opt | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2023a_serial | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2023b_serial | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2022a_ppc | 2.808168900000000e+00 | 3.799999999110071e-07 | 9.223300968713765e-01 | PASS |
spack_foss-2022a_mpi_min | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2023a_mpi_min | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2023a_serial_omp | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2023a_mpi_opt | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2023a_serial_debug | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2022a_mpi | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2023a_mpi | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |
spack_foss-2023a_mpi_debug | 2.808168530000000e+00 | 9.999999939225290e-09 | 2.427184451268274e-02 | PASS |