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 | 8.788829147375002e+01 | 7.564600248164144e-07 | 8.788829149999999e+01 | 1.969999999573702e-06 | PASS |
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Detailed information
Reference: 87.88829173, precision: 0.0000141| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | 8.788829131999999e+01 | -4.100000126072700e-07 | -2.907801507852979e-02 | PASS |
| cmake_foss_2022a_full_serial | 8.788829044000001e+01 | -1.290000000153668e-06 | -9.148936171302612e-02 | PASS |
| cmake_foss_2022a_min_serial | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| cmake_foss_2022a_full_mpi | 8.788829059000000e+01 | -1.140000009058895e-06 | -8.085106447226204e-02 | PASS |
| eb_fosscuda-2022a | 8.788829346999999e+01 | 1.739999987648844e-06 | 1.234042544431804e-01 | PASS |
| cmake_foss_2022a_min_mpi | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| eb_foss-2022a_debug | 8.788829213000000e+01 | 3.999999904635843e-07 | 2.836879364989959e-02 | PASS |
| eb_foss-2022b_libxc6 | 8.788829138000000e+01 | -3.500000076428478e-07 | -2.482269557750693e-02 | PASS |
| eb_intel-2022a | 8.788829158000000e+01 | -1.500000053056283e-07 | -1.063829824862612e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | 8.788828952999999e+01 | -2.200000011498560e-06 | -1.560283696098269e-01 | PASS |
| intel-2022b | 8.788829158000000e+01 | -1.500000053056283e-07 | -1.063829824862612e-02 | PASS |
| eb_intel-2022a_omp | 8.788829140999999e+01 | -3.200000122660640e-07 | -2.269503633092652e-02 | PASS |
| eb_foss-2022a_mpi_debug | 8.788829233000000e+01 | 5.999999928008037e-07 | 4.255319097878041e-02 | PASS |
| eb_intel-2022a_impi | 8.788829139000001e+01 | -3.399999997100167e-07 | -2.411347515673877e-02 | PASS |
| spack_foss-2022a_serial | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_foss-2022a_mpi | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.788829128000000e+01 | -4.500000017060302e-07 | -3.191489373801632e-02 | PASS |
| spack_foss-2022a_serial_min | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| intel-2022b_impi | 8.788829139000001e+01 | -3.399999997100167e-07 | -2.411347515673877e-02 | PASS |
| spack_foss-2022a_serial_debug | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_foss-2022a_serial_omp | 8.788829135000000e+01 | -3.800000030196315e-07 | -2.695035482408734e-02 | PASS |
| spack_foss-2022a_serial_opt | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_foss-2022a_mpi_omp | 8.788829135000000e+01 | -3.800000030196315e-07 | -2.695035482408734e-02 | PASS |
| eb_intel-2022a_omp_impi | 8.788829054999999e+01 | -1.180000012368509e-06 | -8.368794413961060e-02 | PASS |