Match comparison for Energy [step 0] (match type 29254)

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.351387940465781e+01 5.000000000000000e-13 -1.351387940465767e+01 1.697420269181803e-13 -1.351387940465781e+01 2.904343432419410e-13 PASS

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Detailed information

Reference: -13.51387940465781, precision: 0.0000000000005
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -1.351387940465752e+01 2.913225216616411e-13 5.826450433232822e-01 PASS
foss_min_autotools: [foss2023a-serial] -1.351387940465752e+01 2.913225216616411e-13 5.826450433232822e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.351387940465755e+01 2.557953848736361e-13 5.115907697472721e-01 PASS
foss_min_autotools: [foss2023b-serial] -1.351387940465752e+01 2.913225216616411e-13 5.826450433232822e-01 PASS
foss_min_autotools: [foss2022a-serial] -1.351387940465752e+01 2.913225216616411e-13 5.826450433232822e-01 PASS
foss_autotools: [foss2022a-serial] -1.351387940465752e+01 2.913225216616411e-13 5.826450433232822e-01 PASS
foss_opt_autotools: [foss2023a-serial] -1.351387940465752e+01 2.913225216616411e-13 5.826450433232822e-01 PASS
foss_cmake_mpi_min: [foss2023a-mpi] -1.351387940465763e+01 1.794120407794253e-13 3.588240815588506e-01 PASS
foss_cmake_mpi_min: [foss2022a-mpi] -1.351387940465763e+01 1.794120407794253e-13 3.588240815588506e-01 PASS
foss_autotools: [foss2023b-serial] -1.351387940465752e+01 2.913225216616411e-13 5.826450433232822e-01 PASS
intel_autotools: [intel2023a-serial] -1.351387940465791e+01 -9.947598300641403e-14 -1.989519660128281e-01 PASS
foss_autotools: [foss2023a-serial] -1.351387940465752e+01 2.913225216616411e-13 5.826450433232822e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -1.351387940465763e+01 1.794120407794253e-13 3.588240815588506e-01 PASS
foss_omp_autotools: [foss2023a-serial] -1.351387940465760e+01 2.149391775674303e-13 4.298783551348606e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -1.351387940465763e+01 1.794120407794253e-13 3.588240815588506e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.351387940465768e+01 1.261213355974178e-13 2.522426711948356e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -1.351387940465762e+01 1.918465386552271e-13 3.836930773104541e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.351387940465768e+01 1.261213355974178e-13 2.522426711948356e-01 PASS
intel_omp_autotools: [intel2023a-serial] -1.351387940465795e+01 -1.421085471520200e-13 -2.842170943040401e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -1.351387940465762e+01 1.918465386552271e-13 3.836930773104541e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -1.351387940465762e+01 1.918465386552271e-13 3.836930773104541e-01 PASS
intel_omp_autotools: [intel2022a-serial] -1.351387940465795e+01 -1.421085471520200e-13 -2.842170943040401e-01 PASS
foss_debug_autotools: [foss2023a-serial] -1.351387940465752e+01 2.913225216616411e-13 5.826450433232822e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -1.351387940465756e+01 2.522426711948356e-13 5.044853423896711e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.351387940465802e+01 -2.113864638886298e-13 -4.227729277772596e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -1.351387940465762e+01 1.918465386552271e-13 3.836930773104541e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -1.351387940465790e+01 -9.237055564881302e-14 -1.847411112976260e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -1.351387940465774e+01 6.572520305780927e-14 1.314504061156185e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.351387940465810e+01 -2.895461648222408e-13 -5.790923296444817e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.351387940465785e+01 -4.263256414560601e-14 -8.526512829121202e-02 PASS
foss_valgrind_autotools: [foss2023a-serial] -1.351387940465753e+01 2.842170943040401e-13 5.684341886080801e-01 PASS