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 | -5.803986176666667e-01 | 7.454628845371796e-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 |
| foss_min_autotools: [foss2022a-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -5.803707200000000e-01 | 1.494000000001883e-05 | 9.109756097572457e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -5.803707299999999e-01 | 1.493000000007960e-05 | 9.103658536633904e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -5.804006100000000e-01 | -1.494999999995805e-05 | -9.115853658511008e-01 | PASS |