Match comparison for Hartree energy (match type 29833)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.236158307700000e+02 | 7.780000000000000e-06 | -5.236158343948485e+02 | 1.960017175582012e-06 | -5.236158308750000e+02 | 4.194999974060920e-06 | PASS |
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Detailed information
Reference: -523.61583077, precision: 0.00000778| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -5.236158348700000e+02 | -4.099999955542444e-06 | -5.269922822033989e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -5.236158348900000e+02 | -4.119999971408106e-06 | -5.295629783300907e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -5.236158348300000e+02 | -4.060000037497957e-06 | -5.218509045627194e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -5.236158348800000e+02 | -4.109999963475275e-06 | -5.282776302667448e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -5.236158348800000e+02 | -4.109999963475275e-06 | -5.282776302667448e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -5.236158348800000e+02 | -4.109999963475275e-06 | -5.282776302667448e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -5.236158348800000e+02 | -4.109999963475275e-06 | -5.282776302667448e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -5.236158348800000e+02 | -4.109999963475275e-06 | -5.282776302667448e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -5.236158348800000e+02 | -4.109999963475275e-06 | -5.282776302667448e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -5.236158348800000e+02 | -4.109999963475275e-06 | -5.282776302667448e-01 | PASS |
| intel-serial: [intel2023a-serial] | -5.236158348900000e+02 | -4.119999971408106e-06 | -5.295629783300907e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -5.236158348800000e+02 | -4.109999963475275e-06 | -5.282776302667448e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -5.236158348900000e+02 | -4.119999971408106e-06 | -5.295629783300907e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -5.236158349300000e+02 | -4.160000003139430e-06 | -5.347043705834743e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -5.236158348800000e+02 | -4.109999963475275e-06 | -5.282776302667448e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -5.236158348700000e+02 | -4.099999955542444e-06 | -5.269922822033989e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -5.236158348700000e+02 | -4.099999955542444e-06 | -5.269922822033989e-01 | PASS |
| intel-omp: [intel2023a-serial] | -5.236158349800000e+02 | -4.210000042803586e-06 | -5.411311109002038e-01 | PASS |
| intel-omp: [intel2022a-serial] | -5.236158350700000e+02 | -4.300000000512227e-06 | -5.526992288576128e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -5.236158266800001e+02 | 4.089999947609613e-06 | 5.257069341400531e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -5.236158348700000e+02 | -4.099999955542444e-06 | -5.269922822033989e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -5.236158348700000e+02 | -4.099999955542444e-06 | -5.269922822033989e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -5.236158348700000e+02 | -4.099999955542444e-06 | -5.269922822033989e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -5.236158348700000e+02 | -4.099999955542444e-06 | -5.269922822033989e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -5.236158349000000e+02 | -4.129999979340937e-06 | -5.308483263934366e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -5.236158348900000e+02 | -4.119999971408106e-06 | -5.295629783300907e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -5.236158348700000e+02 | -4.099999955542444e-06 | -5.269922822033989e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -5.236158348700000e+02 | -4.099999955542444e-06 | -5.269922822033989e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -5.236158348700000e+02 | -4.099999955542444e-06 | -5.269922822033989e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -5.236158266800001e+02 | 4.089999947609613e-06 | 5.257069341400531e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -5.236158349000000e+02 | -4.129999979340937e-06 | -5.308483263934366e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -5.236158349100000e+02 | -4.139999987273768e-06 | -5.321336744567825e-01 | PASS |
| valgrind: [foss2023a-serial] | -5.236158349700000e+02 | -4.200000034870754e-06 | -5.398457628368579e-01 | PASS |