Match comparison for Hartree energy (match type 23860)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.510589381000000e+01 | 3.590000000000000e-06 | 6.510589452437500e+01 | 1.333990579092444e-06 | 6.510589368000001e+01 | 4.130000000657219e-06 | FAIL |
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Detailed information
Reference: 65.10589381, precision: 0.00000359| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 6.510589372000000e+01 | -9.000000034120603e-08 | -2.506963797805182e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 6.510589572000001e+01 | 1.910000008820134e-06 | 5.320334286407059e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 6.510588955000000e+01 | -4.259999997202613e-06 | -1.186629525683179e+00 | FAIL |
| foss_cmake: [foss2022a-serial, foss-min] | 6.510589415000000e+01 | 3.399999997100167e-07 | 9.470752081058961e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | 6.510589415000000e+01 | 3.399999997100167e-07 | 9.470752081058961e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | 6.510589415000000e+01 | 3.399999997100167e-07 | 9.470752081058961e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | 6.510589415000000e+01 | 3.399999997100167e-07 | 9.470752081058961e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 6.510589415000000e+01 | 3.399999997100167e-07 | 9.470752081058961e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 6.510589415000000e+01 | 3.399999997100167e-07 | 9.470752081058961e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 6.510589415000000e+01 | 3.399999997100167e-07 | 9.470752081058961e-02 | PASS |
| intel-serial: [intel2023a-serial] | 6.510589444999999e+01 | 6.399999961104186e-07 | 1.782729794179439e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | 6.510589415000000e+01 | 3.399999997100167e-07 | 9.470752081058961e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 6.510589781000000e+01 | 4.000000004111826e-06 | 1.114206129279060e+00 | FAIL |
| foss-ppc: [foss2022a-serial] | 6.510589392999999e+01 | 1.199999957179898e-07 | 3.342618265125064e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | 6.510589415000000e+01 | 3.399999997100167e-07 | 9.470752081058961e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 6.510589572000001e+01 | 1.910000008820134e-06 | 5.320334286407059e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 6.510589572000001e+01 | 1.910000008820134e-06 | 5.320334286407059e-01 | PASS |
| intel-omp: [intel2023a-serial] | 6.510589369000000e+01 | -1.199999957179898e-07 | -3.342618265125064e-02 | PASS |
| intel-omp: [intel2022a-serial] | 6.510589367000000e+01 | -1.399999973727972e-07 | -3.899721375286831e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | 6.510589392999999e+01 | 1.199999957179898e-07 | 3.342618265125064e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 6.510589572000001e+01 | 1.910000008820134e-06 | 5.320334286407059e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 6.510589572000001e+01 | 1.910000008820134e-06 | 5.320334286407059e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 6.510589572000001e+01 | 1.910000008820134e-06 | 5.320334286407059e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 6.510589572000001e+01 | 1.910000008820134e-06 | 5.320334286407059e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 6.510589421000000e+01 | 4.000000046744390e-07 | 1.114206141154426e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 6.510589444999999e+01 | 6.399999961104186e-07 | 1.782729794179439e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 6.510589572000001e+01 | 1.910000008820134e-06 | 5.320334286407059e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 6.510589572000001e+01 | 1.910000008820134e-06 | 5.320334286407059e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 6.510589572000001e+01 | 1.910000008820134e-06 | 5.320334286407059e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 6.510589361000000e+01 | -2.000000023372195e-07 | -5.571030705772131e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 6.510589407000001e+01 | 2.600000073016417e-07 | 7.242340036257430e-02 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 6.510589314000001e+01 | -6.699999914872024e-07 | -1.866295240911427e-01 | PASS |