Match comparison for Dipole x (match type 22769)

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Input 08-benzene_supercell.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.727400000000000e-13 6.610000000000000e-12 2.157564000000000e-14 9.464174547333750e-15 1.722925000000000e-14 1.233285000000000e-14 PASS

Checks for this match

  • 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: 0.00000000000067274, precision: 0.00000000000661
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 2.814030000000000e-14 -6.445997000000000e-13 -9.751886535552194e-02 PASS
foss-ppc: [foss2022a-serial] 4.896400000000000e-15 -6.678436000000001e-13 -1.010353403933434e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 2.814030000000000e-14 -6.445997000000000e-13 -9.751886535552194e-02 PASS
cuda-mpi: [foss2022a-cuda-mpi] 2.956210000000000e-14 -6.431779000000000e-13 -9.730376701966717e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 1.713910000000000e-14 -6.556009000000001e-13 -9.918319213313162e-02 PASS