Match comparison for Energy [step 52] (match type 29255)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.351350086579652e+01 | 5.000000000000000e-13 | -1.351350086579643e+01 | 1.663371097295448e-13 | -1.351350086579650e+01 | 2.193800696659309e-13 | PASS |
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Detailed information
Reference: -13.513500865796521, precision: 0.0000000000005| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -1.351350086579639e+01 | 1.314504061156185e-13 | 2.629008122312371e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.351350086579658e+01 | -6.217248937900877e-14 | -1.243449787580175e-01 | PASS |
| spack_foss-2022a_serial | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2022a_mpi | -1.351350086579631e+01 | 2.149391775674303e-13 | 4.298783551348606e-01 | PASS |
| spack_foss-2022a_serial_min | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.351350086579631e+01 | 2.149391775674303e-13 | 4.298783551348606e-01 | PASS |
| spack_foss-2022a_mpi_opt | -1.351350086579631e+01 | 2.149391775674303e-13 | 4.298783551348606e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2023a_serial | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.351350086579663e+01 | -1.101341240428155e-13 | -2.202682480856311e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.351350086579628e+01 | 2.433608869978343e-13 | 4.867217739956686e-01 | PASS |
| spack_foss-2022a_mpi_debug | -1.351350086579631e+01 | 2.149391775674303e-13 | 4.298783551348606e-01 | PASS |
| spack_foss-2023a_serial_min | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.351350086579671e+01 | -1.847411112976260e-13 | -3.694822225952521e-01 | PASS |
| spack_intel-2023a_serial | -1.351350086579652e+01 | -3.552713678800501e-15 | -7.105427357601002e-03 | PASS |
| spack_intel-2023a_serial_omp | -1.351350086579671e+01 | -1.847411112976260e-13 | -3.694822225952521e-01 | PASS |
| spack_intel-2023a_impi | -1.351350086579658e+01 | -6.039613253960852e-14 | -1.207922650792170e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.351350086579672e+01 | -1.953992523340276e-13 | -3.907985046680551e-01 | PASS |
| spack_foss-2022a_valgrind | -1.351350086579650e+01 | 2.309263891220326e-14 | 4.618527782440651e-02 | PASS |