Match comparison for Hartree-Fock energy Total (match type 12221)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.075695600000000e-01 | 8.729999999999999e-06 | -7.075616453846154e-01 | 2.964284439670146e-08 | -7.075616499999999e-01 | 2.999999998420932e-08 | PASS |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.70756956, precision: 0.00000873| Run | Value | Difference | Relative difference | Status |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |