Match comparison for Dipole z (match type 22420)

Commits > Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d > Input 06-h2o_pol_lr.01_gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.292680000000000e-14 2.300000000000000e-14 5.457944518518519e-15 6.700160962973874e-15 6.782165000000000e-15 8.416535000000001e-15 PASS

Checks for this match

  • MPI builders have different values.
  • Precision seems large and value close to zero. Should value be 0?
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: 0.0000000000000129268, precision: 0.000000000000023
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
spack_foss-2022a_serial -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
spack_foss-2023a_serial -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
spack_foss-2022a_ppc 2.079220000000000e-15 -1.084758000000000e-14 -4.716339130434782e-01 PASS
spack_foss-2022a_cuda_serial -3.775730000000000e-16 -1.330437300000000e-14 -5.784510000000000e-01 PASS
spack_foss-2022a_mpi_min 1.503030000000000e-14 2.103500000000000e-15 9.145652173913042e-02 PASS
spack_foss-2023a_mpi_min 1.503030000000000e-14 2.103500000000000e-15 9.145652173913042e-02 PASS
cmake_foss_2022a_full_mpi 1.503030000000000e-14 2.103500000000000e-15 9.145652173913042e-02 PASS
spack_foss-2023a_mpi_opt 1.503030000000000e-14 2.103500000000000e-15 9.145652173913042e-02 PASS
spack_foss-2023a_serial_debug -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
cmake_foss_2022a_full_serial -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
spack_foss-2022a_mpi 1.503030000000000e-14 2.103500000000000e-15 9.145652173913042e-02 PASS
spack_foss-2023a_mpi 1.503030000000000e-14 2.103500000000000e-15 9.145652173913042e-02 PASS
cmake_foss_2022a_min_mpi 5.286830000000000e-15 -7.639970000000000e-15 -3.321726086956522e-01 PASS
cmake_foss_2022a_min_serial -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
spack_foss-2022a_cuda_mpi_omp 7.229850000000000e-15 -5.696950000000000e-15 -2.476934782608696e-01 PASS
spack_foss-2023a_mpi_debug 1.503030000000000e-14 2.103500000000000e-15 9.145652173913042e-02 PASS
spack_foss-2023a_mpi_omp 8.199340000000000e-15 -4.727460000000000e-15 -2.055417391304348e-01 PASS
spack_foss-2023a_serial_min -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
spack_foss-2023a_serial_opt -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
spack_foss-2023b_serial -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
spack_foss-2023a_serial_omp 1.592450000000000e-15 -1.133435000000000e-14 -4.927978260869565e-01 PASS
spack_intel-2023a_serial -1.634370000000000e-15 -1.456117000000000e-14 -6.330943478260870e-01 PASS
spack_intel-2022a_serial_omp 4.303250000000000e-16 -1.249647500000000e-14 -5.433250000000001e-01 PASS
spack_intel-2023a_serial_omp 4.303250000000000e-16 -1.249647500000000e-14 -5.433250000000001e-01 PASS
spack_intel-2023a_impi 1.519870000000000e-14 2.271900000000001e-15 9.877826086956527e-02 PASS
spack_intel-2022a_impi_omp 6.746300000000000e-15 -6.180500000000000e-15 -2.687173913043479e-01 PASS