Match comparison for Initial energy (match type 26078)

Commits > Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f > Input 12-tddft-currents-to-maxwell.01-benzene-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.744576068000000e+01 1.000000000000000e-04 -3.744576714000000e+01 0.000000000000000e+00 -3.744576714000000e+01 0.000000000000000e+00 PASS

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Detailed information

Reference: -37.44576068, precision: 0.0001
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-serial-min: [foss2023a-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-serial-min: [foss2022a-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-serial-min: [foss2023b-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
intel-serial: [intel2023a-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-opt-full: [foss2023a-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-serial-full: [foss2023b-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-serial-full: [foss2023a-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-ppc: [foss2022a-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-serial-debug: [foss2023a-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-omp-full: [foss2023a-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
intel_omp_autotools: [intel2023a-serial] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-mpi-full: [foss2023a-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-mpi-min: [foss2023a-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-mpi-min: [foss2022a-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-mpi-debug: [foss2023a-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss-mpi-omp-full: [foss2023a-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.744576714000000e+01 -6.460000001595745e-06 -6.460000001595745e-02 PASS