Match comparison for Energy [step 52] (match type 31023)
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.351221767670754e+01 | 4.630000000000000e-13 | -1.351221767670755e+01 | 4.787985677531012e-14 | -1.351221767670759e+01 | 1.030286966852145e-13 | PASS |
Checks for this match
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Detailed information
Reference: -13.512217676707541, precision: 0.000000000000463| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss_min_autotools: [foss2022a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.351221767670748e+01 | 5.861977570020827e-14 | 1.266085868255038e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.351221767670757e+01 | -3.197442310920451e-14 | -6.905922917754753e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.351221767670757e+01 | -3.197442310920451e-14 | -6.905922917754753e-02 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.351221767670757e+01 | -3.197442310920451e-14 | -6.905922917754753e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -1.351221767670751e+01 | 2.842170943040401e-14 | 6.138598149115336e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351221767670757e+01 | -2.842170943040401e-14 | -6.138598149115336e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.351221767670757e+01 | -3.197442310920451e-14 | -6.905922917754753e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.351221767670757e+01 | -2.842170943040401e-14 | -6.138598149115336e-02 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.351221767670761e+01 | -6.572520305780927e-14 | -1.419550821982921e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.351221767670749e+01 | 5.506706202140776e-14 | 1.189353391391096e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.351221767670749e+01 | 4.973799150320701e-14 | 1.074254676095184e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.351221767670749e+01 | 4.973799150320701e-14 | 1.074254676095184e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.351221767670749e+01 | 5.506706202140776e-14 | 1.189353391391096e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.351221767670761e+01 | -6.927791673660977e-14 | -1.496283298846863e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.351221767670749e+01 | 4.973799150320701e-14 | 1.074254676095184e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.351221767670749e+01 | 4.973799150320701e-14 | 1.074254676095184e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351221767670761e+01 | -6.927791673660977e-14 | -1.496283298846863e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.351221767670769e+01 | -1.474376176702208e-13 | -3.184397789853580e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.351221767670750e+01 | 4.085620730620576e-14 | 8.824234839353295e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.351221767670763e+01 | -8.704148513061227e-14 | -1.879945683166571e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -1.351221767670757e+01 | -3.197442310920451e-14 | -6.905922917754753e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351221767670759e+01 | -4.973799150320701e-14 | -1.074254676095184e-01 | PASS |