Match comparison for N_electrons [step 1112] (match type 24581)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 04-lithium.02-absorbing_boundaries.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.353010052117660e+00 | 3.060000000000000e-07 | 2.353009938351042e+00 | 1.093555492920315e-07 | 2.353009951193322e+00 | 1.772885667161717e-07 | PASS |
Checks for this match
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Detailed information
Reference: 2.35301005211766, precision: 0.000000306| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| spack_foss-2022a_serial_min | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| foss-2022a_ppc | 2.353009931619133e+00 | -1.204985267122538e-07 | -3.937860350073654e-01 | PASS |
| spack_foss-2022a_serial_opt | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| spack_foss-2022a_serial | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| foss-2022a_opt | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| intel-2022b | 2.353009773904755e+00 | -2.782129051581705e-07 | -9.091925005168972e-01 | PASS |
| intel-2022a | 2.353009773904755e+00 | -2.782129051581705e-07 | -9.091925005168972e-01 | PASS |
| spack_foss-2022a_serial_omp | 2.353010128481888e+00 | 7.636422827417277e-08 | 2.495563015495842e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| spack_foss-2022a_serial_debug | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| foss-2022a_omp | 2.353010128481888e+00 | 7.636422827417277e-08 | 2.495563015495842e-01 | PASS |
| intel-2022a_omp | 2.353009821052917e+00 | -2.310647428949153e-07 | -7.551135388722722e-01 | PASS |
| intel-2022b_impi | 2.353009773904755e+00 | -2.782129051581705e-07 | -9.091925005168972e-01 | PASS |
| intel-2022a_impi | 2.353009773904755e+00 | -2.782129051581705e-07 | -9.091925005168972e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 2.353009983288271e+00 | -6.882938841101804e-08 | -2.249326418660720e-01 | PASS |
| eb_fosscuda-2022a | 2.353010054072479e+00 | 1.954818973359806e-09 | 6.388297298561459e-03 | PASS |
| cmake_foss_2022a_min_serial | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| foss-2022a_mpi_omp | 2.353010128481888e+00 | 7.636422827417277e-08 | 2.495563015495842e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| eb_foss-2022a | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| eb_foss-2022b_libxc6 | 2.353010116603983e+00 | 6.448632339228766e-08 | 2.107396189290446e-01 | PASS |
| eb_foss-2022a_debug | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| intel-2022a_omp_impi | 2.353010019336502e+00 | -3.278115778826418e-08 | -1.071279666283143e-01 | PASS |
| eb_foss-2022a_mpi | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 2.353010116603983e+00 | 6.448632339228766e-08 | 2.107396189290446e-01 | PASS |
| eb_foss-2022a_mpi_debug | 2.353009917447201e+00 | -1.346704587845693e-07 | -4.400995385116643e-01 | PASS |
| eb_foss-2022a_valgrind | 2.353009823373599e+00 | -2.287440610260205e-07 | -7.475296111961455e-01 | PASS |