Match comparison for Energy [step 0] (match type 31022)

Commits > Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 > Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.351259613523188e+01 2.520000000000000e-13 -1.351259613523190e+01 4.760343073049527e-14 -1.351259613523195e+01 1.261213355974178e-13 PASS

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Detailed information

Reference: -13.512596135231881, precision: 0.000000000000252
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -1.351259613523192e+01 -3.907985046680551e-14 -1.550787716936727e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.351259613523193e+01 -4.618527782440651e-14 -1.832749120016132e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -1.351259613523195e+01 -6.394884621840902e-14 -2.537652627714644e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -1.351259613523198e+01 -1.030286966852145e-13 -4.088440344651370e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -1.351259613523186e+01 2.486899575160351e-14 9.868649107779169e-02 PASS
intel_autotools: [intel2023a-serial] -1.351259613523190e+01 -1.776356839400250e-14 -7.049035076985122e-02 PASS
foss-serial-min: [foss2022a-serial] -1.351259613523186e+01 2.486899575160351e-14 9.868649107779169e-02 PASS
foss-serial-min: [foss2023b-serial] -1.351259613523186e+01 2.486899575160351e-14 9.868649107779169e-02 PASS
foss-serial-min: [foss2023a-serial] -1.351259613523186e+01 2.486899575160351e-14 9.868649107779169e-02 PASS
foss-serial-full: [foss2023a-serial] -1.351259613523186e+01 2.486899575160351e-14 9.868649107779169e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.351259613523186e+01 2.309263891220326e-14 9.163745600080658e-02 PASS
foss-serial-full: [foss2023b-serial] -1.351259613523186e+01 2.486899575160351e-14 9.868649107779169e-02 PASS
foss-opt-full: [foss2023a-serial] -1.351259613523186e+01 2.309263891220326e-14 9.163745600080658e-02 PASS
intel_omp_autotools: [intel2023a-serial] -1.351259613523194e+01 -5.684341886080801e-14 -2.255691224635239e-01 PASS
foss-omp-full: [foss2023a-serial] -1.351259613523190e+01 -1.421085471520200e-14 -5.639228061588097e-02 PASS
foss-serial-debug: [foss2023a-serial] -1.351259613523186e+01 2.486899575160351e-14 9.868649107779169e-02 PASS
foss-ppc: [foss2022a-serial] -1.351259613523183e+01 5.329070518200751e-14 2.114710523095536e-01 PASS
intel_omp_autotools: [intel2022a-serial] -1.351259613523194e+01 -5.684341886080801e-14 -2.255691224635239e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.351259613523187e+01 8.881784197001252e-15 3.524517538492561e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.351259613523187e+01 8.881784197001252e-15 3.524517538492561e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] -1.351259613523187e+01 8.881784197001252e-15 3.524517538492561e-02 PASS
foss-mpi-full: [foss2023a-mpi] -1.351259613523187e+01 7.105427357601002e-15 2.819614030794048e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.351259613523192e+01 -4.263256414560601e-14 -1.691768418476429e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -1.351259613523191e+01 -2.486899575160351e-14 -9.868649107779169e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -1.351259613523191e+01 -2.486899575160351e-14 -9.868649107779169e-02 PASS
foss-mpi-debug: [foss2023a-mpi] -1.351259613523187e+01 7.105427357601002e-15 2.819614030794048e-02 PASS
foss-mpi-min: [foss2022a-mpi] -1.351259613523191e+01 -2.486899575160351e-14 -9.868649107779169e-02 PASS
foss-mpi-min: [foss2023a-mpi] -1.351259613523191e+01 -2.486899575160351e-14 -9.868649107779169e-02 PASS
foss-mpi-omp-full: [foss2023a-mpi] -1.351259613523190e+01 -1.776356839400250e-14 -7.049035076985122e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.351259613523193e+01 -4.796163466380676e-14 -1.903239470785983e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -1.351259613523187e+01 7.105427357601002e-15 2.819614030794048e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.351259613523208e+01 -1.989519660128281e-13 -7.894919286223335e-01 PASS
valgrind: [foss2023a-serial] -1.351259613523194e+01 -5.506706202140776e-14 -2.185200873865387e-01 PASS