Match comparison for Bader value 1 (match type 22567)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 08-symmetrization_mgga.01-spg3_sym.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.601189489308860e-02 6.140000000000000e-13 -3.601190751430233e-02 1.082732402595875e-14 -3.601190751428580e-02 2.569819357312042e-14 FAIL

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Detailed information

Reference: -0.0360118948930886, precision: 0.000000000000614
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.601190751430660e-02 -1.262121800127414e-08 -2.055572964376895e+04 FAIL
cmake_foss_2022a_full_serial -3.601190751430660e-02 -1.262121800127414e-08 -2.055572964376895e+04 FAIL
spack_foss-2022a_serial -3.601190751430660e-02 -1.262121800127414e-08 -2.055572964376895e+04 FAIL
spack_foss-2022a_ppc -3.601190751429090e-02 -1.262120229855723e-08 -2.055570406931145e+04 FAIL
spack_foss-2023a_mpi_min -3.601190751430570e-02 -1.262121709921793e-08 -2.055572817462204e+04 FAIL
cmake_foss_2022a_min_serial -3.601190751430660e-02 -1.262121800127414e-08 -2.055572964376895e+04 FAIL
spack_foss-2022a_mpi_min -3.601190751430570e-02 -1.262121709921793e-08 -2.055572817462204e+04 FAIL
spack_foss-2023a_mpi -3.601190751430570e-02 -1.262121709921793e-08 -2.055572817462204e+04 FAIL
cmake_foss_2022a_full_mpi -3.601190751430570e-02 -1.262121709921793e-08 -2.055572817462204e+04 FAIL
spack_foss-2022a_mpi -3.601190751430570e-02 -1.262121709921793e-08 -2.055572817462204e+04 FAIL
cmake_foss_2022a_min_mpi -3.601190751430570e-02 -1.262121709921793e-08 -2.055572817462204e+04 FAIL
spack_foss-2022a_cuda_mpi_omp -3.601190751428190e-02 -1.262119329881184e-08 -2.055568941174566e+04 FAIL
spack_foss-2023a_mpi_debug -3.601190751430570e-02 -1.262121709921793e-08 -2.055572817462204e+04 FAIL
spack_foss-2023a_serial -3.601190751430660e-02 -1.262121800127414e-08 -2.055572964376895e+04 FAIL
spack_foss-2023a_mpi_opt -3.601190751430570e-02 -1.262121709921793e-08 -2.055572817462204e+04 FAIL
spack_foss-2022a_cuda_serial -3.601190751426010e-02 -1.262117150374609e-08 -2.055565391489591e+04 FAIL
spack_foss-2023a_serial_debug -3.601190751430660e-02 -1.262121800127414e-08 -2.055572964376895e+04 FAIL
spack_foss-2023a_serial_min -3.601190751430660e-02 -1.262121800127414e-08 -2.055572964376895e+04 FAIL
spack_foss-2023a_serial_opt -3.601190751430660e-02 -1.262121800127414e-08 -2.055572964376895e+04 FAIL
spack_foss-2023a_mpi_omp -3.601190751430200e-02 -1.262121340078748e-08 -2.055572215111967e+04 FAIL
spack_foss-2023b_serial -3.601190751430660e-02 -1.262121800127414e-08 -2.055572964376895e+04 FAIL
spack_foss-2023a_serial_omp -3.601190751430710e-02 -1.262121850087450e-08 -2.055573045745032e+04 FAIL
spack_intel-2023a_serial -3.601190751430890e-02 -1.262122029804802e-08 -2.055573338444303e+04 FAIL
spack_intel-2022a_serial_omp -3.601190751430410e-02 -1.262121550327233e-08 -2.055572557536210e+04 FAIL
spack_intel-2023a_serial_omp -3.601190751428270e-02 -1.262119410372353e-08 -2.055569072267676e+04 FAIL
spack_intel-2023a_impi -3.601190751430870e-02 -1.262122010375899e-08 -2.055573306801138e+04 FAIL
spack_intel-2022a_impi_omp -3.601190751431150e-02 -1.262122290013323e-08 -2.055573762236683e+04 FAIL