Match comparison for Energy [step 0] (match type 29254)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
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 | -1.351387940465771e+01 | 1.769376251994423e-13 | -1.351387940465781e+01 | 2.922107000813412e-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 |
| eb_foss-2022a_ppc | -1.351387940465759e+01 | 2.238209617644316e-13 | 4.476419235288631e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.351387940465755e+01 | 2.557953848736361e-13 | 5.115907697472721e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.351387940465768e+01 | 1.261213355974178e-13 | 2.522426711948356e-01 | PASS |
| eb_fosscuda-2022a | -1.351387940465781e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -1.351387940465763e+01 | 1.794120407794253e-13 | 3.588240815588506e-01 | PASS |
| eb_foss-2022a_debug | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.351387940465754e+01 | 2.717825964282383e-13 | 5.435651928564766e-01 | PASS |
| eb_intel-2022a | -1.351387940465786e+01 | -4.973799150320701e-14 | -9.947598300641403e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.351387940465765e+01 | 1.634248292248230e-13 | 3.268496584496461e-01 | PASS |
| intel-2022b | -1.351387940465786e+01 | -4.973799150320701e-14 | -9.947598300641403e-02 | PASS |
| eb_intel-2022a_omp | -1.351387940465796e+01 | -1.456612608308205e-13 | -2.913225216616411e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.351387940465761e+01 | 1.971756091734278e-13 | 3.943512183468556e-01 | PASS |
| eb_intel-2022a_impi | -1.351387940465796e+01 | -1.527666881884215e-13 | -3.055333763768431e-01 | PASS |
| spack_foss-2022a_serial | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2022a_mpi | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.351387940465790e+01 | -9.059419880941277e-14 | -1.811883976188255e-01 | PASS |
| spack_foss-2022a_serial_min | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| intel-2022b_impi | -1.351387940465796e+01 | -1.527666881884215e-13 | -3.055333763768431e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.351387940465762e+01 | 1.918465386552271e-13 | 3.836930773104541e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.351387940465752e+01 | 2.913225216616411e-13 | 5.826450433232822e-01 | PASS |
| spack_foss-2022a_mpi_omp | -1.351387940465774e+01 | 6.927791673660977e-14 | 1.385558334732195e-01 | PASS |
| eb_intel-2022a_omp_impi | -1.351387940465810e+01 | -2.930988785010413e-13 | -5.861977570020827e-01 | PASS |
| eb_foss-2022a_valgrind | -1.351387940465786e+01 | -4.973799150320701e-14 | -9.947598300641403e-02 | PASS |