Match comparison for Dipole x (match type 22769)

Commits > Commit c1843387c3c25bf42356cee40f04165a0aff5f6f > Input 08-benzene_supercell.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.727400000000000e-13 6.610000000000000e-12 3.752345315789473e-15 1.282432678085284e-14 -5.883150000000000e-15 2.997225000000000e-14 PASS

Checks for this match

    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: 0.00000000000067274, precision: 0.00000000000661
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] 2.223540000000000e-14 -6.505046000000000e-13 -9.841219364599092e-02 PASS
foss-opt-full: [foss2023a-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
foss-serial-full: [foss2023a-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
foss-serial-full: [foss2023b-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
intel-serial: [intel2023a-serial] 5.857560000000000e-15 -6.668824400000000e-13 -1.008899304084720e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] 1.848980000000000e-14 -6.542502000000000e-13 -9.897885022692889e-02 PASS
foss-serial-debug: [foss2023a-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
foss-ppc: [foss2022a-serial] 4.896400000000000e-15 -6.678436000000001e-13 -1.010353403933434e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-min] 2.408910000000000e-14 -6.486509000000000e-13 -9.813175491679273e-02 PASS
intel-omp: [intel2023a-serial] -3.149240000000000e-15 -6.758892400000000e-13 -1.022525325264750e-01 PASS
intel-omp: [intel2022a-serial] -3.149240000000000e-15 -6.758892400000000e-13 -1.022525325264750e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 7.117320000000000e-15 -6.656226800000000e-13 -1.006993464447806e-01 PASS
foss-omp-full: [foss2023a-serial] -5.155970000000000e-16 -6.732555970000000e-13 -1.018540993948563e-01 PASS
foss-mpi-full: [foss2023a-mpi] 7.117320000000000e-15 -6.656226800000000e-13 -1.006993464447806e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] 1.763850000000000e-14 -6.551015000000001e-13 -9.910763993948564e-02 PASS
valgrind: [foss2023a-serial] -3.585540000000000e-14 -7.085954000000000e-13 -1.072005143721634e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 9.099460000000000e-15 -6.636405400000000e-13 -1.003994765506808e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.075770000000000e-15 -6.808157700000001e-13 -1.029978472012103e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 7.117320000000000e-15 -6.656226800000000e-13 -1.006993464447806e-01 PASS