Match comparison for Energy [step 0] (match type 29254)
Commits >
Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 >
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 | -1.351387940465769e+01 | 1.791332476970849e-13 | -1.351387940465781e+01 | 2.904343432419410e-13 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -13.51387940465781, precision: 0.0000000000005| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2023a_serial | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2023b_serial | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_intel-2023a_serial | -1.351387940465791e+01 | -9.947598300641403e-14 | -1.989519660128281e-01 | PASS |
| spack_foss-2022a_ppc | -1.351387940465756e+01 | 2.522426711948356e-13 | 5.044853423896711e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.351387940465768e+01 | 1.261213355974178e-13 | 2.522426711948356e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.351387940465760e+01 | 2.149391775674303e-13 | 4.298783551348606e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2023a_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_intel-2023a_serial_omp | -1.351387940465795e+01 | -1.421085471520200e-13 | -2.842170943040401e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.351387940465789e+01 | -8.171241461241152e-14 | -1.634248292248230e-01 | PASS |
| spack_intel-2023a_impi | -1.351387940465802e+01 | -2.113864638886298e-13 | -4.227729277772596e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.351387940465791e+01 | -1.012523398458143e-13 | -2.025046796916286e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.351387940465774e+01 | 6.572520305780927e-14 | 1.314504061156185e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.351387940465763e+01 | 1.794120407794253e-13 | 3.588240815588506e-01 | PASS |
| spack_foss-2022a_serial_min | -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_mpi_min | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| spack_foss-2022a_mpi | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.351387940465810e+01 | -2.895461648222408e-13 | -5.790923296444817e-01 | PASS |
| spack_foss-2023a_mpi | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.351387940465755e+01 | 2.557953848736361e-13 | 5.115907697472721e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| spack_foss-2023a_valgrind | -1.351387940465786e+01 | -4.973799150320701e-14 | -9.947598300641403e-02 | PASS |