Match comparison for Energy [step 0] (match type 29254)
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.351387940465781e+01 | 5.000000000000000e-13 | -1.351387940465773e+01 | 2.228023388583610e-13 | -1.351387940465781e+01 | 2.904343432419410e-13 | PASS |
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Detailed information
Reference: -13.51387940465781, precision: 0.0000000000005| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2023a_serial_min | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2022a_serial | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2022a_ppc | -1.351387940465756e+01 | 2.522426711948356e-13 | 5.044853423896711e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2022a_mpi_opt | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.351387940465795e+01 | -1.421085471520200e-13 | -2.842170943040401e-01 | PASS |
| spack_foss-2022a_mpi | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.351387940465805e+01 | -2.433608869978343e-13 | -4.867217739956686e-01 | PASS |
| spack_intel-2023a_impi | -1.351387940465802e+01 | -2.113864638886298e-13 | -4.227729277772596e-01 | PASS |
| spack_foss-2022a_mpi_debug | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.351387940465810e+01 | -2.895461648222408e-13 | -5.790923296444817e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.351387940465810e+01 | -2.895461648222408e-13 | -5.790923296444817e-01 | PASS |
| spack_foss-2022a_valgrind | -1.351387940465786e+01 | -4.973799150320701e-14 | -9.947598300641403e-02 | PASS |