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 | -1.128225424133333e+01 | 4.988876485379112e-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 |
| foss_cmake: [foss2022a-serial, foss-min] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.128225426000000e+01 | -6.700000003689865e-07 | -9.370629375790022e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.128225424000000e+01 | -6.500000004905360e-07 | -9.090909097769734e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.128225426000000e+01 | -6.700000003689865e-07 | -9.370629375790022e-01 | PASS |