Match comparison for Dipole y (match type 22770)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.211499999999999e-13 7.840000000000001e-12 -2.463314200000000e-14 2.130857390569946e-14 -1.816870500000000e-14 2.695549500000000e-14 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
  • Zen 4 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: 0.0000000000006211499999999999, precision: 0.00000000000784
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.512420000000000e-14 -6.662741999999999e-13 -8.498395408163265e-02 PASS
foss-ppc: [foss2022a-serial] -3.278990000000000e-14 -6.539398999999999e-13 -8.341070153061222e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.512420000000000e-14 -6.662741999999999e-13 -8.498395408163265e-02 PASS
cuda-mpi: [foss2022a-cuda-mpi] 8.786790000000000e-15 -6.123632099999999e-13 -7.810755229591836e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.914200000000000e-15 -6.300641999999999e-13 -8.036533163265305e-02 PASS