Match comparison for Hartree energy (match type 30568)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.246899510000000e+00 | 2.120000000000000e-07 | 4.246899407931034e+00 | 1.094793655510389e-08 | 4.246899380000000e+00 | 3.000000026176508e-08 | 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: 4.24689951, precision: 0.000000212| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 4.246899350000000e+00 | -1.600000008039615e-07 | -7.547169849243467e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 4.246899410000000e+00 | -1.000000002804313e-07 | -4.716981145303364e-01 | PASS |