Match comparison for B3LYP Fock Correlation (match type 12227)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.734403300000000e-01 | 3.280000000000000e-06 | -2.734433044000000e-01 | 4.963869455783581e-09 | -2.734433050000000e-01 | 4.999999997368221e-09 | 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: -0.27344033, precision: 0.00000328| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| spack_intel-2023a_serial | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_intel-2023a_impi | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| spack_foss-2022a_serial_min | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2023a_serial_min | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2022a_serial | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2023a_serial | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2023b_serial | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2022a_ppc | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| spack_foss-2022a_mpi | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| spack_foss-2023a_mpi | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |