Match comparison for Hartree energy (match type 32212)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.828467787000000e+01 | 4.730000000000000e-07 | 6.828467750615384e+01 | 2.291636453364116e-07 | 6.828467787000000e+01 | 4.300000000512227e-07 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 68.28467787, precision: 0.000000473| Run | Value | Difference | Relative difference | Status |
| foss-ppc: [foss2022a-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| intel-serial: [intel2023a-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 6.828467744000000e+01 | -4.300000000512227e-07 | -9.090909091992024e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 6.828467830000000e+01 | 4.300000000512227e-07 | 9.090909091992024e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 6.828467830000000e+01 | 4.300000000512227e-07 | 9.090909091992024e-01 | PASS |