Match comparison for Hartree energy (match type 22289)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.491431350000000e+00 | 1.250000000000000e-07 | 2.491431353076923e+00 | 1.029160628606803e-08 | 2.491431340000000e+00 | 3.000000003972048e-08 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 2.49143135, precision: 0.000000125| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 2.491431370000000e+00 | 1.999999987845058e-08 | 1.599999990276046e-01 | PASS |
| cmake_foss_2022a_full_serial | 2.491431360000000e+00 | 9.999999939225290e-09 | 7.999999951380232e-02 | PASS |
| cmake_foss_2022a_min_serial | 2.491431360000000e+00 | 9.999999939225290e-09 | 7.999999951380232e-02 | PASS |
| cmake_foss_2022a_min_mpi | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_opt | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a | 2.491431360000000e+00 | 9.999999939225290e-09 | 7.999999951380232e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_omp | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | 2.491431360000000e+00 | 9.999999939225290e-09 | 7.999999951380232e-02 | PASS |
| spack_foss-2022a_serial | 2.491431360000000e+00 | 9.999999939225290e-09 | 7.999999951380232e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | 2.491431360000000e+00 | 9.999999939225290e-09 | 7.999999951380232e-02 | PASS |
| intel-2022a_omp | 2.491431360000000e+00 | 9.999999939225290e-09 | 7.999999951380232e-02 | PASS |
| intel-2022a_impi | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | 2.491431360000000e+00 | 9.999999939225290e-09 | 7.999999951380232e-02 | PASS |
| spack_foss-2022a_serial_debug | 2.491431360000000e+00 | 9.999999939225290e-09 | 7.999999951380232e-02 | PASS |
| intel-2022b_impi | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_mpi_omp | 2.491431360000000e+00 | 9.999999939225290e-09 | 7.999999951380232e-02 | PASS |
| spack_foss-2022a_serial_omp | 2.491431310000000e+00 | -4.000000020099037e-08 | -3.200000016079230e-01 | PASS |
| intel-2022a_omp_impi | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi_debug | 2.491431350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |