Match comparison for Multipoles [step 1] (match type 17469)

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Input 03-td_self_consistent.02-etrs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.341800490096620e-15 5.950000000000000e-15 -4.553030559994661e-15 1.293309106589687e-15 -5.089915854517446e-15 1.663972731575248e-15 PASS

Checks for this match

  • OpenMP 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: -0.00000000000000234180049009662, precision: 0.00000000000000595
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.016145265471876e-15 -1.674344775375256e-15 -2.814024832563455e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.016145265471876e-15 -1.674344775375256e-15 -2.814024832563455e-01 PASS
cuda-mpi: [foss2022a-cuda-mpi] -6.753888586092695e-15 -4.412088095996075e-15 -7.415274110917772e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.425943122942199e-15 -1.084142632845579e-15 -1.822088458563998e-01 PASS