Match comparison for Hartree energy (match type 29779)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.122738745000000e+01 | 3.520000000000000e-07 | 6.122738748360000e+01 | 1.584141407413031e-07 | 6.122738743500000e+01 | 3.149999976415074e-07 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 61.22738745, precision: 0.000000352| Run | Value | Difference | Relative difference | Status |
| spack_intel-2023a_impi | 6.122738761000000e+01 | 1.599999990276046e-07 | 4.545454517829678e-01 | PASS |
| spack_foss-2022a_ppc | 6.122738775000000e+01 | 2.999999964004019e-07 | 8.522727170465962e-01 | PASS |
| cmake_foss_2022a_full_serial | 6.122738728000000e+01 | -1.699999998550084e-07 | -4.829545450426374e-01 | PASS |
| cmake_foss_2022a_full_mpi | 6.122738752000000e+01 | 6.999999868639861e-08 | 1.988636326318143e-01 | PASS |
| cmake_foss_2022a_min_serial | 6.122738728000000e+01 | -1.699999998550084e-07 | -4.829545450426374e-01 | PASS |
| cmake_foss_2022a_min_mpi | 6.122738739000000e+01 | -6.000000496442226e-08 | -1.704545595580178e-01 | PASS |
| spack_foss-2022a_mpi | 6.122738748000000e+01 | 2.999999537678377e-08 | 8.522725959313572e-02 | PASS |
| spack_foss-2022a_mpi_min | 6.122738748000000e+01 | 2.999999537678377e-08 | 8.522725959313572e-02 | PASS |
| spack_foss-2022a_serial_min | 6.122738761000000e+01 | 1.599999990276046e-07 | 4.545454517829678e-01 | PASS |
| spack_foss-2022a_serial | 6.122738761000000e+01 | 1.599999990276046e-07 | 4.545454517829678e-01 | PASS |
| spack_foss-2023a_mpi_min | 6.122738748000000e+01 | 2.999999537678377e-08 | 8.522725959313572e-02 | PASS |
| spack_foss-2023a_serial | 6.122738761000000e+01 | 1.599999990276046e-07 | 4.545454517829678e-01 | PASS |
| spack_foss-2023a_serial_min | 6.122738761000000e+01 | 1.599999990276046e-07 | 4.545454517829678e-01 | PASS |
| spack_intel-2023a_serial_omp | 6.122738712000000e+01 | -3.299999988826130e-07 | -9.374999968256051e-01 | PASS |
| spack_foss-2023a_mpi | 6.122738748000000e+01 | 2.999999537678377e-08 | 8.522725959313572e-02 | PASS |
| spack_foss-2023a_mpi_opt | 6.122738752000000e+01 | 6.999999868639861e-08 | 1.988636326318143e-01 | PASS |
| spack_foss-2023a_serial_debug | 6.122738761000000e+01 | 1.599999990276046e-07 | 4.545454517829678e-01 | PASS |
| spack_foss-2023a_serial_opt | 6.122738728000000e+01 | -1.699999998550084e-07 | -4.829545450426374e-01 | PASS |
| spack_foss-2023a_serial_omp | 6.122738741000000e+01 | -4.000000330961484e-08 | -1.136363730386785e-01 | PASS |
| spack_foss-2023a_mpi_debug | 6.122738748000000e+01 | 2.999999537678377e-08 | 8.522725959313572e-02 | PASS |
| spack_foss-2023b_serial | 6.122738761000000e+01 | 1.599999990276046e-07 | 4.545454517829678e-01 | PASS |
| spack_foss-2023a_mpi_omp | 6.122738752000000e+01 | 6.999999868639861e-08 | 1.988636326318143e-01 | PASS |
| spack_intel-2022a_serial_omp | 6.122738769000000e+01 | 2.399999985414070e-07 | 6.818181776744516e-01 | PASS |
| spack_intel-2023a_serial | 6.122738713000000e+01 | -3.200000051606366e-07 | -9.090909237518087e-01 | PASS |
| spack_intel-2022a_impi_omp | 6.122738753000000e+01 | 7.999999951380232e-08 | 2.272727258914839e-01 | PASS |