Match comparison for Energy [step 103] (match type 29268)

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.351351009473370e+01 4.500000000000000e-13 -1.351351009473362e+01 1.187027435165341e-13 -1.351351009473368e+01 2.460254222569347e-13 PASS

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Detailed information

Reference: -13.5135100947337, precision: 0.00000000000045
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -1.351351009473343e+01 2.664535259100376e-13 5.921189464667501e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -1.351351009473358e+01 1.207922650792170e-13 2.684272557315934e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -1.351351009473358e+01 1.225686219186173e-13 2.723747153747051e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -1.351351009473362e+01 7.993605777301127e-14 1.776356839400250e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -1.351351009473362e+01 7.993605777301127e-14 1.776356839400250e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -1.351351009473360e+01 1.030286966852145e-13 2.289526593004767e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -1.351351009473386e+01 -1.563194018672220e-13 -3.473764485938268e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -1.351351009473351e+01 1.936228954946273e-13 4.302731010991718e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -1.351351009473382e+01 -1.243449787580175e-13 -2.763221750178168e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -1.351351009473378e+01 -8.171241461241152e-14 -1.815831435831367e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -1.351351009473378e+01 -8.171241461241152e-14 -1.815831435831367e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -1.351351009473369e+01 8.881784197001252e-15 1.973729821555834e-02 PASS
GCI_foss_min_autotools: [foss2023a-serial] -1.351351009473362e+01 7.993605777301127e-14 1.776356839400250e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -1.351351009473362e+01 7.993605777301127e-14 1.776356839400250e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -1.351351009473362e+01 7.993605777301127e-14 1.776356839400250e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -1.351351009473362e+01 7.993605777301127e-14 1.776356839400250e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -1.351351009473362e+01 7.993605777301127e-14 1.776356839400250e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -1.351351009473362e+01 7.993605777301127e-14 1.776356839400250e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -1.351351009473362e+01 7.993605777301127e-14 1.776356839400250e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -1.351351009473343e+01 2.664535259100376e-13 5.921189464667501e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -1.351351009473343e+01 2.664535259100376e-13 5.921189464667501e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -1.351351009473358e+01 1.207922650792170e-13 2.684272557315934e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -1.351351009473358e+01 1.207922650792170e-13 2.684272557315934e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -1.351351009473357e+01 1.332267629550188e-13 2.960594732333751e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -1.351351009473358e+01 1.207922650792170e-13 2.684272557315934e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -1.351351009473393e+01 -2.255973186038318e-13 -5.013273746751818e-01 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] -1.351351009473356e+01 1.385558334732195e-13 3.079018521627101e-01 PASS