Match comparison for Hartree energy (match type 30346)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.818364180000000e+01 | 1.640000000000000e-05 | 1.818365100136364e+01 | 6.595832220306831e-06 | 1.818364409500000e+01 | 1.258499999856610e-05 | 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: 18.1836418, precision: 0.0000164| Run | Value | Difference | Relative difference | Status |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 1.818363151000000e+01 | -1.028999999874713e-05 | -6.274390243138497e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 1.818363151000000e+01 | -1.028999999874713e-05 | -6.274390243138497e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 1.818365330000000e+01 | 1.149999999938700e-05 | 7.012195121577440e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 1.818365330000000e+01 | 1.149999999938700e-05 | 7.012195121577440e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 1.818365330000000e+01 | 1.149999999938700e-05 | 7.012195121577440e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 1.818365349000000e+01 | 1.169000000089682e-05 | 7.128048781034645e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | 1.818365330000000e+01 | 1.149999999938700e-05 | 7.012195121577440e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | 1.818365330000000e+01 | 1.149999999938700e-05 | 7.012195121577440e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 1.818365668000000e+01 | 1.487999999838507e-05 | 9.073170730722606e-01 | PASS |
| foss-ppc: [foss2022a-serial] | 1.818365481000000e+01 | 1.300999999997998e-05 | 7.932926829256087e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.818365330000000e+01 | 1.149999999938700e-05 | 7.012195121577440e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 1.818365114000000e+01 | 9.339999998303483e-06 | 5.695121950185051e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.818364711000000e+01 | 5.309999998814874e-06 | 3.237804877326143e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | 1.818365549000000e+01 | 1.368999999940002e-05 | 8.347560975243913e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.818364711000000e+01 | 5.309999998814874e-06 | 3.237804877326143e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 1.818365406000000e+01 | 1.225999999832084e-05 | 7.475609755073681e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.818365511000000e+01 | 1.330999999993310e-05 | 8.115853658495792e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 1.818365406000000e+01 | 1.225999999832084e-05 | 7.475609755073681e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 1.818365406000000e+01 | 1.225999999832084e-05 | 7.475609755073681e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 1.818365406000000e+01 | 1.225999999832084e-05 | 7.475609755073681e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 1.818364903000000e+01 | 7.230000001356984e-06 | 4.408536586193283e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.818365300000000e+01 | 1.119999999943389e-05 | 6.829268292337736e-01 | PASS |