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 | 4.246899491000000e+00 | 5.385164774406322e-09 | 4.246899490000000e+00 | 9.999999939225290e-09 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 4.24689951, precision: 0.000000212Run | Value | Difference | Relative difference | Status |
foss-serial-min: [foss2022a-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
foss-serial-min: [foss2023b-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
foss-serial-min: [foss2023a-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
foss-opt-full: [foss2023a-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
foss-serial-full: [foss2023b-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
foss-serial-full: [foss2023a-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
intel_autotools: [intel2023a-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
foss-ppc: [foss2022a-serial] | 4.246899500000000e+00 | -1.000000082740371e-08 | -4.716981522360240e-02 | PASS |
foss-serial-debug: [foss2023a-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
foss-mpi-opt-full: [foss2023a-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
intel_omp_autotools: [intel2023a-serial] | 4.246899500000000e+00 | -1.000000082740371e-08 | -4.716981522360240e-02 | PASS |
foss-omp-full: [foss2023a-serial] | 4.246899480000000e+00 | -3.000000070585429e-08 | -1.415094372917655e-01 | PASS |
intel_omp_autotools: [intel2022a-serial] | 4.246899500000000e+00 | -1.000000082740371e-08 | -4.716981522360240e-02 | PASS |
foss-mpi-full: [foss2023a-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
intel_mpi_autotools: [intel2023a-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
foss-mpi-debug: [foss2023a-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
foss-mpi-min: [foss2022a-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
foss-mpi-min: [foss2023a-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
foss-mpi-omp-full: [foss2023a-mpi] | 4.246899480000000e+00 | -3.000000070585429e-08 | -1.415094372917655e-01 | PASS |
intel_mpi_omp_autotools: [intel2022a-mpi] | 4.246899500000000e+00 | -1.000000082740371e-08 | -4.716981522360240e-02 | PASS |