Match comparison for Hartree energy (match type 28834)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.647640595000000e+01 | 1.320000000000000e-02 | 1.648826030823530e+01 | 5.651497877836903e-05 | 1.648825798500000e+01 | 1.132849999994079e-04 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 16.47640595, precision: 0.0132| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 1.648829054000000e+01 | 1.188459000000108e-02 | 9.003477272728093e-01 | PASS |
| foss-serial: [foss2023a-serial] | 1.648827202000000e+01 | 1.186606999999995e-02 | 8.989446969696933e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.648827202000000e+01 | 1.186606999999995e-02 | 8.989446969696933e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 1.648828610000000e+01 | 1.188014999999965e-02 | 9.000113636363367e-01 | PASS |
| ppc: [foss2023a-serial] | 1.648819467000000e+01 | 1.178871999999842e-02 | 8.930848484847288e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 1.648825899000000e+01 | 1.185303999999832e-02 | 8.979575757574482e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 1.648825899000000e+01 | 1.185303999999832e-02 | 8.979575757574482e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | 1.648814470000000e+01 | 1.173874999999924e-02 | 8.892992424241851e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | 1.648825899000000e+01 | 1.185303999999832e-02 | 8.979575757574482e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 1.648826571000000e+01 | 1.185976000000011e-02 | 8.984666666666749e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 1.648823803000000e+01 | 1.183208000000135e-02 | 8.963696969697996e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 1.648827202000000e+01 | 1.186606999999995e-02 | 8.989446969696933e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 1.648825899000000e+01 | 1.185303999999832e-02 | 8.979575757574482e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | 1.648829054000000e+01 | 1.188459000000108e-02 | 9.003477272728093e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 1.648814470000000e+01 | 1.173874999999924e-02 | 8.892992424241851e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 1.648834696000000e+01 | 1.194101000000103e-02 | 9.046219696970477e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 1.648837127000000e+01 | 1.196531999999806e-02 | 9.064636363634893e-01 | PASS |