Match comparison for Energy [step 52] (match type 31023)
Commits >
Commit 705c4760eef009c58a165e8716adc8057257a566 >
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 | -1.351221767670758e+01 | 8.520454915156363e-14 | -1.351221767670766e+01 | 1.820765760385257e-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-zen4: [foss2023a-serial, foss-min] | -1.351221767670772e+01 | -1.811883976188255e-13 | -3.913356320061027e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.351221767670763e+01 | -8.526512829121202e-14 | -1.841579444734601e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -1.351221767670779e+01 | -2.504663143554353e-13 | -5.409639618907890e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.351221767670773e+01 | -1.865174681370263e-13 | -4.028455035356939e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss-serial-min: [foss2023a-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_cmake: [foss2022a-serial, foss-full] | -1.351221767670748e+01 | 5.861977570020827e-14 | 1.266085868255038e-01 | PASS |
| foss-serial-min: [foss2023b-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-serial-full: [foss2023a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| intel-serial: [intel2023a-serial] | -1.351221767670751e+01 | 2.842170943040401e-14 | 6.138598149115336e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.351221767670748e+01 | 5.861977570020827e-14 | 1.266085868255038e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -1.351221767670764e+01 | -9.414691248821327e-14 | -2.033410636894455e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.351221767670755e+01 | -1.065814103640150e-14 | -2.301974305918251e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351221767670757e+01 | -2.842170943040401e-14 | -6.138598149115336e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.351221767670757e+01 | -2.842170943040401e-14 | -6.138598149115336e-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-omp-full: [foss2023a-serial] | -1.351221767670761e+01 | -6.572520305780927e-14 | -1.419550821982921e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-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_cmake: [foss2023a-mpi, foss-min-mpi] | -1.351221767670757e+01 | -3.197442310920451e-14 | -6.905922917754753e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.351221767670757e+01 | -3.197442310920451e-14 | -6.905922917754753e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.351221767670765e+01 | -1.083577672034153e-13 | -2.340340544350222e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351221767670761e+01 | -6.927791673660977e-14 | -1.496283298846863e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.351221767670757e+01 | -3.197442310920451e-14 | -6.905922917754753e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.351221767670749e+01 | 4.973799150320701e-14 | 1.074254676095184e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.351221767670757e+01 | -3.197442310920451e-14 | -6.905922917754753e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.351221767670750e+01 | 4.085620730620576e-14 | 8.824234839353295e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.351221767670785e+01 | -3.055333763768431e-13 | -6.598993010298986e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351221767670759e+01 | -4.973799150320701e-14 | -1.074254676095184e-01 | PASS |
| valgrind: [foss2023a-serial] | -1.351221767670760e+01 | -6.217248937900877e-14 | -1.342818345118980e-01 | PASS |