Match comparison for Hartree energy (match type 27132)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.788829173000001e+01 | 1.410000000000000e-05 | 8.788829159925926e+01 | 3.876226304246959e-07 | 8.788829164000001e+01 | 8.900000025846566e-07 | PASS |
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Detailed information
Reference: 87.88829173, precision: 0.0000141| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 8.788829251000000e+01 | 7.799999934832158e-07 | 5.531914847398693e-02 | PASS |
| spack_foss-2022a_ppc | 8.788829136000000e+01 | -3.700000092976552e-07 | -2.624113541118122e-02 | PASS |
| cmake_foss_2022a_min_serial | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| cmake_foss_2022a_min_mpi | 8.788829136000000e+01 | -3.700000092976552e-07 | -2.624113541118122e-02 | PASS |
| cmake_foss_2022a_full_mpi | 8.788829075000000e+01 | -9.800000100312900e-07 | -6.950354681072979e-02 | PASS |
| spack_foss-2022a_mpi_min | 8.788829136000000e+01 | -3.700000092976552e-07 | -2.624113541118122e-02 | PASS |
| spack_foss-2022a_mpi | 8.788829136000000e+01 | -3.700000092976552e-07 | -2.624113541118122e-02 | PASS |
| spack_foss-2022a_serial | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| spack_foss-2022a_serial_min | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| spack_foss-2023a_mpi | 8.788829171000000e+01 | -2.000000165480742e-08 | -1.418439833674285e-03 | PASS |
| spack_foss-2023a_mpi_min | 8.788829171000000e+01 | -2.000000165480742e-08 | -1.418439833674285e-03 | PASS |
| spack_foss-2023a_serial_min | 8.788829158000000e+01 | -1.500000053056283e-07 | -1.063829824862612e-02 | PASS |
| spack_foss-2023a_serial | 8.788829158000000e+01 | -1.500000053056283e-07 | -1.063829824862612e-02 | PASS |
| spack_foss-2023a_mpi_opt | 8.788829171000000e+01 | -2.000000165480742e-08 | -1.418439833674285e-03 | PASS |
| spack_foss-2023a_mpi_debug | 8.788829171000000e+01 | -2.000000165480742e-08 | -1.418439833674285e-03 | PASS |
| spack_foss-2023a_serial_opt | 8.788829158000000e+01 | -1.500000053056283e-07 | -1.063829824862612e-02 | PASS |
| spack_foss-2023b_serial | 8.788829158000000e+01 | -1.500000053056283e-07 | -1.063829824862612e-02 | PASS |
| spack_foss-2023a_serial_debug | 8.788829158000000e+01 | -1.500000053056283e-07 | -1.063829824862612e-02 | PASS |
| spack_foss-2023a_serial_omp | 8.788829124000000e+01 | -4.900000050156450e-07 | -3.475177340536489e-02 | PASS |
| spack_intel-2022a_serial_omp | 8.788829246000000e+01 | 7.299999964516246e-07 | 5.177304939373224e-02 | PASS |
| spack_foss-2023a_mpi_omp | 8.788829253000000e+01 | 7.999999951380232e-07 | 5.673758830766122e-02 | PASS |
| spack_intel-2023a_serial | 8.788829144000000e+01 | -2.900000026784255e-07 | -2.056737607648408e-02 | PASS |
| spack_intel-2023a_impi | 8.788829172000000e+01 | -1.000000793283107e-08 | -7.092204207681608e-04 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.788829130000001e+01 | -4.300000000512227e-07 | -3.049645390434204e-02 | PASS |
| spack_intel-2023a_serial_omp | 8.788829124000000e+01 | -4.900000050156450e-07 | -3.475177340536489e-02 | PASS |
| spack_intel-2022a_impi_omp | 8.788829198000001e+01 | 2.499999993688107e-07 | 1.773049640913551e-02 | PASS |
| spack_foss-2022a_cuda_serial | 8.788829139000001e+01 | -3.399999997100167e-07 | -2.411347515673877e-02 | PASS |