Match comparison for Hartree energy (match type 30833)

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Input 07-noncollinear.02-acbn0.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.410202852000000e+01 1.020000000000000e-05 3.410202695375000e+01 7.153883452354658e-06 3.410202255000000e+01 1.420000000251775e-05 FAIL

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Detailed information

Reference: 34.10202852, precision: 0.0000102
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.410201016000000e+01 -1.835999999855176e-05 -1.799999999858015e+00 FAIL
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.410200835000000e+01 -2.016999999909785e-05 -1.977450980303711e+00 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.410201291000000e+01 -1.560999999838941e-05 -1.530392156704844e+00 FAIL
foss_cmake: [foss2022a-serial, foss-min] 3.410202773000000e+01 -7.899999943106195e-07 -7.745097983437446e-02 PASS
foss-serial-min: [foss2023b-serial] 3.410202773000000e+01 -7.899999943106195e-07 -7.745097983437446e-02 PASS
foss-serial-min: [foss2022a-serial] 3.410202773000000e+01 -7.899999943106195e-07 -7.745097983437446e-02 PASS
foss-serial-min: [foss2023a-serial] 3.410202773000000e+01 -7.899999943106195e-07 -7.745097983437446e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.410202773000000e+01 -7.899999943106195e-07 -7.745097983437446e-02 PASS
foss-serial-full: [foss2023a-serial] 3.410202773000000e+01 -7.899999943106195e-07 -7.745097983437446e-02 PASS
foss-opt-full: [foss2023a-serial] 3.410202773000000e+01 -7.899999943106195e-07 -7.745097983437446e-02 PASS
intel-serial: [intel2023a-serial] 3.410202889000000e+01 3.700000021922278e-07 3.627451001884587e-02 PASS
foss-serial-full: [foss2023b-serial] 3.410203621000000e+01 7.690000003890418e-06 7.539215690088645e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.410201028000000e+01 -1.823999999572834e-05 -1.788235293698857e+00 FAIL
foss-ppc: [foss2022a-serial] 3.410202211000000e+01 -6.409999997458726e-06 -6.284313722998751e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.410202773000000e+01 -7.899999943106195e-07 -7.745097983437446e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.410203065000000e+01 2.130000005706734e-06 2.088235299712484e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.410203065000000e+01 2.130000005706734e-06 2.088235299712484e-01 PASS
intel-omp: [intel2023a-serial] 3.410203001000000e+01 1.490000002490888e-06 1.460784316167537e-01 PASS
intel-omp: [intel2022a-serial] 3.410203675000000e+01 8.230000005937654e-06 8.068627456801621e-01 PASS
foss-omp-full: [foss2023a-serial] 3.410203161000000e+01 3.089999999872362e-06 3.029411764580747e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 3.410203065000000e+01 2.130000005706734e-06 2.088235299712484e-01 PASS
foss-mpi-full: [foss2023a-mpi] 3.410203065000000e+01 2.130000005706734e-06 2.088235299712484e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.410203065000000e+01 2.130000005706734e-06 2.088235299712484e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.410203065000000e+01 2.130000005706734e-06 2.088235299712484e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 3.410202003000000e+01 -8.489999999028441e-06 -8.323529410812197e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.410203252000000e+01 4.000000004111826e-06 3.921568631482182e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 3.410203065000000e+01 2.130000005706734e-06 2.088235299712484e-01 PASS
foss-mpi-min: [foss2023a-mpi] 3.410203065000000e+01 2.130000005706734e-06 2.088235299712484e-01 PASS
foss-mpi-min: [foss2022a-mpi] 3.410203065000000e+01 2.130000005706734e-06 2.088235299712484e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 3.410203076000000e+01 2.240000000597320e-06 2.196078431958156e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.410203317000000e+01 4.650000001049648e-06 4.558823530440831e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 3.410202107000000e+01 -7.449999998243584e-06 -7.303921566905474e-01 PASS