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 | -2.734428457692308e-01 | 1.587942968063481e-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 |
| foss-ppc: [foss2022a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| intel-serial: [intel2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -2.734373400000000e-01 | 2.990000000036019e-06 | 9.115853658646401e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -2.734373500000000e-01 | 2.979999999985772e-06 | 9.085365853615158e-01 | PASS |