Match comparison for Energy [step 52] (match type 31023)

Commits > Commit ff858744384f796bd1ad65ff45f26dd2d219c42c > 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 -1.351221767670757e+01 7.867902349734385e-14 -1.351221767670766e+01 1.740829702612245e-13 PASS

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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-mpi, foss-min-mpi] -1.351221767670773e+01 -1.865174681370263e-13 -4.028455035356939e-01 PASS
foss-serial-min: [foss2022a-serial] -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_autotools: [foss2022a-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_autotools: [foss2023b-serial] -1.351221767670755e+01 -1.065814103640150e-14 -2.301974305918251e-02 PASS
intel_autotools: [intel2023a-serial] -1.351221767670751e+01 2.842170943040401e-14 6.138598149115336e-02 PASS
intel_omp_autotools: [intel2022a-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
intel_omp_autotools: [intel2023a-serial] -1.351221767670749e+01 5.506706202140776e-14 1.189353391391096e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -1.351221767670749e+01 4.973799150320701e-14 1.074254676095184e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -1.351221767670749e+01 4.973799150320701e-14 1.074254676095184e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -1.351221767670749e+01 4.973799150320701e-14 1.074254676095184e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -1.351221767670761e+01 -6.927791673660977e-14 -1.496283298846863e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -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
intel_mpi_autotools: [intel2023a-mpi] -1.351221767670761e+01 -6.927791673660977e-14 -1.496283298846863e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -1.351221767670749e+01 4.973799150320701e-14 1.074254676095184e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.351221767670755e+01 -1.065814103640150e-14 -2.301974305918251e-02 PASS
foss-opt-full: [foss2023a-serial] -1.351221767670755e+01 -1.065814103640150e-14 -2.301974305918251e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -1.351221767670750e+01 4.085620730620576e-14 8.824234839353295e-02 PASS
foss-mpi-min: [foss2022a-mpi] -1.351221767670757e+01 -3.197442310920451e-14 -6.905922917754753e-02 PASS
foss-mpi-min: [foss2023a-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
foss_cmake: [foss2023a-mpi, foss-min-mpi] -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
foss-omp-full: [foss2023a-serial] -1.351221767670761e+01 -6.572520305780927e-14 -1.419550821982921e-01 PASS
foss_valgrind_autotools: [foss2023a-serial] -1.351221767670760e+01 -6.217248937900877e-14 -1.342818345118980e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -1.351221767670783e+01 -2.930988785010413e-13 -6.330429341275190e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.351221767670754e+01 -1.776356839400250e-15 -3.836623843197085e-03 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.351221767670772e+01 -1.811883976188255e-13 -3.913356320061027e-01 PASS