Match comparison for Dipole y (match type 22770)

Commits > Commit 8f782d5cf55620fdc67b764848371cb8de44e683 > Input 08-benzene_supercell.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
0.000000000000000e+00 1.000000000000000e-12 -1.647105375000000e-14 1.279897380973531e-14 -1.846486500000000e-14 2.199103500000000e-14 PASS
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Detailed information

Reference: 0.0, precision: 0.000000000001
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -2.919180000000000e-14 -2.919180000000000e-14 -2.919180000000000e-02 PASS
spack_foss-2022a_serial -2.919180000000000e-14 -2.919180000000000e-14 -2.919180000000000e-02 PASS
cmake_foss_2022a_full_serial -2.919180000000000e-14 -2.919180000000000e-14 -2.919180000000000e-02 PASS
cmake_foss_2022a_min_serial -2.919180000000000e-14 -2.919180000000000e-14 -2.919180000000000e-02 PASS
spack_foss-2022a_ppc -2.654620000000000e-14 -2.654620000000000e-14 -2.654620000000000e-02 PASS
spack_foss-2023a_mpi_min -6.602180000000000e-15 -6.602180000000000e-15 -6.602180000000000e-03 PASS
cmake_foss_2022a_min_mpi 1.024810000000000e-15 1.024810000000000e-15 1.024810000000000e-03 PASS
cmake_foss_2022a_full_mpi -6.602180000000000e-15 -6.602180000000000e-15 -6.602180000000000e-03 PASS
spack_foss-2022a_cuda_serial -4.045590000000000e-14 -4.045590000000000e-14 -4.045590000000000e-02 PASS
spack_foss-2023a_mpi -6.602180000000000e-15 -6.602180000000000e-15 -6.602180000000000e-03 PASS
spack_foss-2022a_mpi_min -6.602180000000000e-15 -6.602180000000000e-15 -6.602180000000000e-03 PASS
spack_foss-2022a_cuda_mpi_omp 4.329750000000000e-16 4.329750000000000e-16 4.329750000000000e-04 PASS
spack_foss-2022a_mpi -6.602180000000000e-15 -6.602180000000000e-15 -6.602180000000000e-03 PASS
spack_foss-2023a_mpi_debug -6.602180000000000e-15 -6.602180000000000e-15 -6.602180000000000e-03 PASS
spack_foss-2023a_serial -2.919180000000000e-14 -2.919180000000000e-14 -2.919180000000000e-02 PASS
spack_foss-2023a_mpi_opt -6.602180000000000e-15 -6.602180000000000e-15 -6.602180000000000e-03 PASS
spack_foss-2023a_serial_min -2.919180000000000e-14 -2.919180000000000e-14 -2.919180000000000e-02 PASS
spack_foss-2023a_serial_debug -2.919180000000000e-14 -2.919180000000000e-14 -2.919180000000000e-02 PASS
spack_foss-2023a_mpi_omp -8.643709999999999e-15 -8.643709999999999e-15 -8.643709999999999e-03 PASS
spack_foss-2023a_serial_opt -2.919180000000000e-14 -2.919180000000000e-14 -2.919180000000000e-02 PASS
spack_foss-2023b_serial -2.919180000000000e-14 -2.919180000000000e-14 -2.919180000000000e-02 PASS
spack_foss-2023a_serial_omp -1.450200000000000e-14 -1.450200000000000e-14 -1.450200000000000e-02 PASS
spack_intel-2023a_serial -3.044920000000000e-14 -3.044920000000000e-14 -3.044920000000000e-02 PASS
spack_intel-2022a_serial_omp 3.526170000000000e-15 3.526170000000000e-15 3.526170000000000e-03 PASS
spack_intel-2023a_serial_omp 3.526170000000000e-15 3.526170000000000e-15 3.526170000000000e-03 PASS
spack_intel-2023a_impi -1.832910000000000e-14 -1.832910000000000e-14 -1.832910000000000e-02 PASS
spack_intel-2022a_impi_omp -5.693360000000000e-15 -5.693360000000000e-15 -5.693360000000000e-03 PASS
spack_foss-2023a_valgrind -1.613870000000000e-14 -1.613870000000000e-14 -1.613870000000000e-02 PASS