Match comparison for Hartree energy (match type 28946)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.122738752000000e+01 | 3.060000000000000e-07 | 6.122738751222222e+01 | 1.737992312336358e-07 | 6.122738744000000e+01 | 3.399999997100167e-07 | FAIL |
Checks for this match
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Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 61.22738752, precision: 0.000000306| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_mpi | 6.122738750000000e+01 | -2.000000165480742e-08 | -6.535948253205039e-02 | PASS |
| spack_foss-2022a_mpi_min | 6.122738750000000e+01 | -2.000000165480742e-08 | -6.535948253205039e-02 | PASS |
| spack_foss-2022a_serial | 6.122738769000000e+01 | 1.699999998550084e-07 | 5.555555550817266e-01 | PASS |
| spack_foss-2022a_serial_min | 6.122738769000000e+01 | 1.699999998550084e-07 | 5.555555550817266e-01 | PASS |
| spack_foss-2023a_mpi | 6.122738750000000e+01 | -2.000000165480742e-08 | -6.535948253205039e-02 | PASS |
| spack_foss-2023a_mpi_min | 6.122738750000000e+01 | -2.000000165480742e-08 | -6.535948253205039e-02 | PASS |
| spack_foss-2023a_serial | 6.122738769000000e+01 | 1.699999998550084e-07 | 5.555555550817266e-01 | PASS |
| spack_foss-2023a_mpi_opt | 6.122738778000000e+01 | 2.600000001962144e-07 | 8.496732032556026e-01 | PASS |
| spack_foss-2023a_serial_min | 6.122738769000000e+01 | 1.699999998550084e-07 | 5.555555550817266e-01 | PASS |
| spack_foss-2023a_mpi_omp | 6.122738751000000e+01 | -1.000000082740371e-08 | -3.267974126602519e-02 | PASS |
| spack_foss-2023a_serial_opt | 6.122738751000000e+01 | -1.000000082740371e-08 | -3.267974126602519e-02 | PASS |
| spack_foss-2023a_serial_omp | 6.122738748000000e+01 | -4.000000330961484e-08 | -1.307189650641008e-01 | PASS |
| spack_foss-2023b_serial | 6.122738769000000e+01 | 1.699999998550084e-07 | 5.555555550817266e-01 | PASS |
| spack_intel-2023a_serial | 6.122738710000000e+01 | -4.199999992238190e-07 | -1.372549017071304e+00 | FAIL |
| spack_intel-2022a_serial_omp | 6.122738743000000e+01 | -9.000000034120603e-08 | -2.941176481738759e-01 | PASS |
| spack_intel-2023a_impi | 6.122738742000000e+01 | -1.000000011686097e-07 | -3.267973894399011e-01 | PASS |
| spack_intel-2023a_serial_omp | 6.122738720000000e+01 | -3.199999980552093e-07 | -1.045751627631403e+00 | FAIL |
| spack_intel-2022a_impi_omp | 6.122738734000000e+01 | -1.800000006824121e-07 | -5.882352963477518e-01 | PASS |