Match comparison for Hartree energy (match type 29565)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.128225359000000e+01 | 7.150000000000000e-07 | -1.128225424250000e+01 | 6.614378237462789e-09 | -1.128225425000000e+01 | 9.999999939225290e-09 | PASS |
Checks for this match
- MPI builders have different values.
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -11.28225359, precision: 0.000000715| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss-serial: [foss2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| ppc: [foss2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -1.128225426000000e+01 | -6.700000003689865e-07 | -9.370629375790022e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -1.128225426000000e+01 | -6.700000003689865e-07 | -9.370629375790022e-01 | PASS |