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 | -2.734428629629630e-01 | 1.560723514116715e-06 | -2.734403250000000e-01 | 2.985000000010896e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.27344033, precision: 0.00000328| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| cmake_foss_2022a_min_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 |
| spack_foss-2022a_cuda_serial | -2.734373400000000e-01 | 2.990000000036019e-06 | 9.115853658646401e-01 | PASS |
| spack_foss-2022a_serial | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2022a_serial_min | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2022a_mpi_min | -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-2022a_cuda_mpi_omp | -2.734373500000000e-01 | 2.979999999985772e-06 | 9.085365853615158e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| spack_foss-2023a_mpi | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| spack_foss-2023a_serial | -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-2023a_mpi_opt | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| spack_foss-2023a_serial_opt | -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-2023b_serial | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| spack_foss-2023a_mpi_omp | -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_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_intel-2023a_serial_omp | -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_foss-2023a_mpi_debug | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |