Match comparison for Hartree energy (match type 29766)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.803583342000000e+01 | 3.340000000000000e-04 | 1.803612771633334e+01 | 3.240851004343985e-05 | 1.803604608500000e+01 | 9.055499999988115e-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: 18.03583342, precision: 0.000334| Run | Value | Difference | Relative difference | Status |
| foss_mpi_min_autotools: [foss2023a-mpi] | 1.803613487000000e+01 | 3.014500000020348e-04 | 9.025449101857330e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | 1.803613553000000e+01 | 3.021099999998000e-04 | 9.045209580832336e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 1.803613553000000e+01 | 3.021099999998000e-04 | 9.045209580832336e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 1.803613553000000e+01 | 3.021099999998000e-04 | 9.045209580832336e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 1.803613429000000e+01 | 3.008700000002307e-04 | 9.008083832342236e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 1.803613553000000e+01 | 3.021099999998000e-04 | 9.045209580832336e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 1.803613553000000e+01 | 3.021099999998000e-04 | 9.045209580832336e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 1.803613429000000e+01 | 3.008700000002307e-04 | 9.008083832342236e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 1.803613399000000e+01 | 3.005700000002776e-04 | 8.999101796415496e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 1.803613553000000e+01 | 3.021099999998000e-04 | 9.045209580832336e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.803613429000000e+01 | 3.008700000002307e-04 | 9.008083832342236e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 1.803613402000000e+01 | 3.005999999992071e-04 | 8.999999999976259e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | 1.803613397000000e+01 | 3.005500000021755e-04 | 8.998502994077110e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 1.803613397000000e+01 | 3.005500000021755e-04 | 8.998502994077110e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 1.803613487000000e+01 | 3.014500000020348e-04 | 9.025449101857330e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 1.803613487000000e+01 | 3.014500000020348e-04 | 9.025449101857330e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 1.803613487000000e+01 | 3.014500000020348e-04 | 9.025449101857330e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.803613259000000e+01 | 2.991700000016806e-04 | 8.957185628792832e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 1.803613553000000e+01 | 3.021099999998000e-04 | 9.045209580832336e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | 1.803613397000000e+01 | 3.005500000021755e-04 | 8.998502994077110e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.803613397000000e+01 | 3.005500000021755e-04 | 8.998502994077110e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.803613259000000e+01 | 2.991700000016806e-04 | 8.957185628792832e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.803613397000000e+01 | 3.005500000021755e-04 | 8.998502994077110e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 1.803613435000000e+01 | 3.009300000016424e-04 | 9.009880239570132e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 1.803613487000000e+01 | 3.014500000020348e-04 | 9.025449101857330e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 1.803613488000000e+01 | 3.014599999993095e-04 | 9.025748502973339e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.803613664000000e+01 | 3.032199999992713e-04 | 9.078443113750638e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.803610558000000e+01 | 2.721600000015201e-04 | 8.148502994057487e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 1.803595553000000e+01 | 1.221099999995090e-04 | 3.655988023937395e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.803613554000000e+01 | 3.021200000006274e-04 | 9.045508982054714e-01 | PASS |