Match comparison for Energy [step 52] (match type 31023)
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
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 | -1.351221767670759e+01 | 1.037211453196322e-13 | -1.351221767670772e+01 | 2.424727085781342e-13 | PASS |
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Detailed information
Reference: -13.512217676707541, precision: 0.000000000000463| Run | Value | Difference | Relative difference | Status |
| foss-ppc: [foss2022a-serial] | -1.351221767670764e+01 | -9.414691248821327e-14 | -2.033410636894455e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | -1.351221767670773e+01 | -1.936228954946273e-13 | -4.181919989084822e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | -1.351221767670764e+01 | -1.030286966852145e-13 | -2.225241829054309e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | -1.351221767670774e+01 | -1.989519660128281e-13 | -4.297018704380735e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | -1.351221767670773e+01 | -1.918465386552271e-13 | -4.143553750652851e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.351221767670749e+01 | 5.506706202140776e-14 | 1.189353391391096e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.351221767670749e+01 | 5.506706202140776e-14 | 1.189353391391096e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.351221767670748e+01 | 5.861977570020827e-14 | 1.266085868255038e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351221767670761e+01 | -6.927791673660977e-14 | -1.496283298846863e-01 | PASS |
| intel-serial: [intel2023a-serial] | -1.351221767670751e+01 | 2.842170943040401e-14 | 6.138598149115336e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.351221767670761e+01 | -6.572520305780927e-14 | -1.419550821982921e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.351221767670757e+01 | -2.842170943040401e-14 | -6.138598149115336e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.351221767670749e+01 | 4.973799150320701e-14 | 1.074254676095184e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.351221767670749e+01 | 4.973799150320701e-14 | 1.074254676095184e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.351221767670750e+01 | 4.085620730620576e-14 | 8.824234839353295e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351221767670759e+01 | -4.973799150320701e-14 | -1.074254676095184e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.351221767670757e+01 | -3.197442310920451e-14 | -6.905922917754753e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.351221767670757e+01 | -3.197442310920451e-14 | -6.905922917754753e-02 | PASS |
| valgrind: [foss2023a-serial] | -1.351221767670760e+01 | -6.217248937900877e-14 | -1.342818345118980e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.351221767670797e+01 | -4.263256414560601e-13 | -9.207897223673004e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -1.351221767670763e+01 | -9.237055564881302e-14 | -1.995044398462484e-01 | PASS |