Match comparison for H2 Multipole z (match type 15310)

Commits > Commit 2d9bf02ec4659ea995174201bc1933b739962aeb > Input 30-local_multipoles.02-multipoles.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.942026147098392e-01 3.940000000000000e-15 3.942026147098406e-01 3.618884306223840e-16 3.942026147098406e-01 3.608224830031759e-16 PASS

Checks for this match

  • MPI builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: 0.3942026147098392, precision: 0.00000000000000394
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.942026147098410e-01 1.831867990631508e-15 4.649411143734792e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.942026147098403e-01 1.110223024625157e-15 2.817824935596844e-01 PASS