Match comparison for Energy [step 103] (match type 30955)

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.351222686779602e+01 3.420000000000000e-13 -1.351222686779604e+01 9.055197014768014e-14 -1.351222686779608e+01 2.060573933704291e-13 PASS

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Detailed information

Reference: -13.51222686779602, precision: 0.000000000000342
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.351222686779587e+01 1.509903313490213e-13 4.414921969269628e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -1.351222686779592e+01 9.592326932761353e-14 2.804773956947764e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -1.351222686779618e+01 -1.598721155460225e-13 -4.674623261579606e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -1.351222686779608e+01 -5.684341886080801e-14 -1.662088270783860e-01 PASS
foss-ppc: [foss2022a-serial] -1.351222686779592e+01 1.012523398458143e-13 2.960594732333751e-01 PASS
intel_omp_autotools: [intel2022a-serial] -1.351222686779599e+01 2.664535259100376e-14 7.791038769299344e-02 PASS
foss-serial-min: [foss2022a-serial] -1.351222686779600e+01 2.486899575160351e-14 7.271636184679388e-02 PASS
foss-serial-min: [foss2023a-serial] -1.351222686779600e+01 2.486899575160351e-14 7.271636184679388e-02 PASS
intel_omp_autotools: [intel2023a-serial] -1.351222686779599e+01 2.664535259100376e-14 7.791038769299344e-02 PASS
foss-serial-full: [foss2023a-serial] -1.351222686779600e+01 2.486899575160351e-14 7.271636184679388e-02 PASS
foss-serial-full: [foss2023b-serial] -1.351222686779600e+01 2.486899575160351e-14 7.271636184679388e-02 PASS
foss-serial-min: [foss2023b-serial] -1.351222686779600e+01 2.486899575160351e-14 7.271636184679388e-02 PASS
foss-serial-debug: [foss2023a-serial] -1.351222686779600e+01 2.486899575160351e-14 7.271636184679388e-02 PASS
foss-opt-full: [foss2023a-serial] -1.351222686779606e+01 -4.440892098500626e-14 -1.298506461549891e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.351222686779603e+01 -1.421085471520200e-14 -4.155220676959650e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -1.351222686779600e+01 2.486899575160351e-14 7.271636184679388e-02 PASS
foss-omp-full: [foss2023a-serial] -1.351222686779608e+01 -6.394884621840902e-14 -1.869849304631843e-01 PASS
intel-serial: [intel2023a-serial] -1.351222686779596e+01 6.217248937900877e-14 1.817909046169847e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.351222686779606e+01 -4.440892098500626e-14 -1.298506461549891e-01 PASS
foss-mpi-full: [foss2023a-mpi] -1.351222686779594e+01 7.815970093361102e-14 2.285371372327808e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.351222686779613e+01 -1.065814103640150e-13 -3.116415507719738e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -1.351222686779613e+01 -1.065814103640150e-13 -3.116415507719738e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.351222686779613e+01 -1.065814103640150e-13 -3.116415507719738e-01 PASS
foss-mpi-min: [foss2022a-mpi] -1.351222686779614e+01 -1.207922650792170e-13 -3.531937575415703e-01 PASS
foss-mpi-min: [foss2023a-mpi] -1.351222686779614e+01 -1.207922650792170e-13 -3.531937575415703e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -1.351222686779594e+01 7.815970093361102e-14 2.285371372327808e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -1.351222686779614e+01 -1.207922650792170e-13 -3.531937575415703e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -1.351222686779614e+01 -1.207922650792170e-13 -3.531937575415703e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.351222686779600e+01 2.486899575160351e-14 7.271636184679388e-02 PASS
foss-mpi-omp-full: [foss2023a-mpi] -1.351222686779599e+01 3.197442310920451e-14 9.349246523159213e-02 PASS
valgrind: [foss2023a-serial] -1.351222686779609e+01 -6.750155989720952e-14 -1.973729821555834e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.351222686779628e+01 -2.611244553918368e-13 -7.635217993913357e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -1.351222686779617e+01 -1.509903313490213e-13 -4.414921969269628e-01 PASS