Match comparison for Hartree-Fock energy Total (match type 12221)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.075695600000000e-01 | 8.729999999999999e-06 | -7.075628642307692e-01 | 4.214988067387996e-06 | -7.075695600000000e-01 | 7.939999999984071e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.70756956, precision: 0.00000873| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| spack_foss-2022a_serial_min | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| spack_foss-2022a_serial | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| spack_foss-2023a_serial_opt | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| spack_foss-2023a_serial | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| spack_foss-2023b_serial | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| spack_foss-2022a_ppc | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| spack_foss-2022a_mpi_min | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| spack_foss-2023a_mpi_min | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| spack_foss-2023a_serial_debug | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| spack_foss-2023a_serial_omp | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| spack_foss-2022a_cuda_serial | -7.075774300000000e-01 | -7.869999999909894e-06 | -9.014891179736420e-01 | PASS |
| spack_foss-2023a_mpi_opt | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| spack_foss-2023a_mpi | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| spack_foss-2022a_mpi | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -7.075775000000000e-01 | -7.939999999928560e-06 | -9.095074455817366e-01 | PASS |
| spack_foss-2023a_mpi_debug | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| spack_foss-2023a_mpi_omp | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| cmake_foss_2022a_min_serial | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| cmake_foss_2022a_full_serial | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| cmake_foss_2022a_min_mpi | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| cmake_foss_2022a_full_mpi | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| spack_intel-2022a_serial_omp | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| spack_intel-2022a_impi_omp | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |
| spack_intel-2023a_serial_omp | -7.075616200000000e-01 | 7.940000000039582e-06 | 9.095074455944540e-01 | PASS |
| spack_intel-2023a_impi | -7.075616800000000e-01 | 7.880000000071163e-06 | 9.026345933643944e-01 | PASS |