Match comparison for Hartree energy (match type 29779)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.122738745000000e+01 | 3.520000000000000e-07 | 6.122738755071428e+01 | 1.266865815290781e-07 | 6.122738756000000e+01 | 2.200000004393132e-07 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: 61.22738745, precision: 0.000000352| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 6.122738769000000e+01 | 2.399999985414070e-07 | 6.818181776744516e-01 | PASS |
| spack_foss-2023a_serial_min | 6.122738769000000e+01 | 2.399999985414070e-07 | 6.818181776744516e-01 | PASS |
| spack_foss-2022a_serial_opt | 6.122738751000000e+01 | 5.999999785899490e-08 | 1.704545393721446e-01 | PASS |
| spack_foss-2022a_serial | 6.122738769000000e+01 | 2.399999985414070e-07 | 6.818181776744516e-01 | PASS |
| spack_foss-2022a_ppc | 6.122738747000000e+01 | 1.999999454938006e-08 | 5.681816633346609e-02 | PASS |
| spack_foss-2022a_mpi_min | 6.122738750000000e+01 | 4.999999703159119e-08 | 1.420454461124750e-01 | PASS |
| spack_foss-2023a_mpi_min | 6.122738750000000e+01 | 4.999999703159119e-08 | 1.420454461124750e-01 | PASS |
| spack_foss-2022a_mpi_opt | 6.122738778000000e+01 | 3.299999988826130e-07 | 9.374999968256051e-01 | PASS |
| spack_foss-2022a_serial_debug | 6.122738769000000e+01 | 2.399999985414070e-07 | 6.818181776744516e-01 | PASS |
| spack_intel-2022a_serial_omp | 6.122738743000000e+01 | -2.000000165480742e-08 | -5.681818651933927e-02 | PASS |
| spack_foss-2022a_mpi | 6.122738750000000e+01 | 4.999999703159119e-08 | 1.420454461124750e-01 | PASS |
| spack_intel-2023a_impi | 6.122738742000000e+01 | -3.000000248221113e-08 | -8.522727977900890e-02 | PASS |
| spack_foss-2022a_mpi_debug | 6.122738750000000e+01 | 4.999999703159119e-08 | 1.420454461124750e-01 | PASS |
| spack_intel-2022a_impi_omp | 6.122738734000000e+01 | -1.100000019960135e-07 | -3.125000056704928e-01 | PASS |