Match comparison for PBE0 Fock Total (match type 12507)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.803856600000000e-01 | 1.640000000000000e-05 | -5.803983962962963e-01 | 7.826624620439855e-06 | -5.803856650000000e-01 | 1.494499999998844e-05 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.58038566, precision: 0.0000164| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2023a_serial_min | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2022a_serial | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2023a_serial | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| cmake_foss_2022a_full_serial | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2022a_ppc | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2023a_mpi_min | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2022a_mpi_min | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2023a_serial_debug | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2023a_mpi_opt | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2022a_mpi | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2023a_mpi | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2022a_cuda_serial | -5.803707200000000e-01 | 1.494000000001883e-05 | 9.109756097572457e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2023a_mpi_debug | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2023a_mpi_omp | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -5.803707299999999e-01 | 1.493000000007960e-05 | 9.103658536633904e-01 | PASS |
| cmake_foss_2022a_min_serial | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2023a_serial_opt | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2023b_serial | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_foss-2023a_serial_omp | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_intel-2023a_serial | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_intel-2022a_serial_omp | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_intel-2023a_serial_omp | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_intel-2023a_impi | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| spack_intel-2022a_impi_omp | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |