Match comparison for Energy [step 52] (match type 29255)

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.351350086579652e+01 5.000000000000000e-13 -1.351350086579636e+01 1.485597211980381e-13 -1.351350086579647e+01 2.486899575160351e-13 PASS

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Detailed information

Reference: -13.513500865796521, precision: 0.0000000000005
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -1.351350086579622e+01 3.019806626980426e-13 6.039613253960852e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -1.351350086579631e+01 2.149391775674303e-13 4.298783551348606e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -1.351350086579639e+01 1.332267629550188e-13 2.664535259100376e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -1.351350086579628e+01 2.398081733190338e-13 4.796163466380676e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -1.351350086579628e+01 2.398081733190338e-13 4.796163466380676e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -1.351350086579634e+01 1.794120407794253e-13 3.588240815588506e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -1.351350086579652e+01 -3.552713678800501e-15 -7.105427357601002e-03 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -1.351350086579628e+01 2.433608869978343e-13 4.867217739956686e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -1.351350086579658e+01 -6.039613253960852e-14 -1.207922650792170e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -1.351350086579671e+01 -1.847411112976260e-13 -3.694822225952521e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -1.351350086579671e+01 -1.847411112976260e-13 -3.694822225952521e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -1.351350086579639e+01 1.314504061156185e-13 2.629008122312371e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -1.351350086579628e+01 2.398081733190338e-13 4.796163466380676e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -1.351350086579628e+01 2.398081733190338e-13 4.796163466380676e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -1.351350086579628e+01 2.398081733190338e-13 4.796163466380676e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -1.351350086579628e+01 2.398081733190338e-13 4.796163466380676e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -1.351350086579628e+01 2.398081733190338e-13 4.796163466380676e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -1.351350086579628e+01 2.398081733190338e-13 4.796163466380676e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -1.351350086579628e+01 2.398081733190338e-13 4.796163466380676e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -1.351350086579622e+01 3.019806626980426e-13 6.039613253960852e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -1.351350086579622e+01 3.019806626980426e-13 6.039613253960852e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -1.351350086579631e+01 2.149391775674303e-13 4.298783551348606e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -1.351350086579631e+01 2.149391775674303e-13 4.298783551348606e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -1.351350086579624e+01 2.824407374646398e-13 5.648814749292796e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -1.351350086579631e+01 2.149391775674303e-13 4.298783551348606e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -1.351350086579672e+01 -1.953992523340276e-13 -3.907985046680551e-01 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] -1.351350086579630e+01 2.220446049250313e-13 4.440892098500626e-01 PASS