Match comparison for Dipole y (match type 22770)

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Input 08-benzene_supercell.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.211499999999999e-13 7.840000000000001e-12 -1.706330148148148e-14 1.420917757192857e-14 -1.307450000000000e-14 3.240420000000000e-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: 0.0000000000006211499999999999, precision: 0.00000000000784
Run Value Difference Relative difference Status
foss-ppc: [foss2022a-serial] -3.278990000000000e-14 -6.539398999999999e-13 -8.341070153061222e-02 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] -4.547870000000000e-14 -6.666286999999999e-13 -8.502917091836733e-02 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-min] -4.290820000000000e-14 -6.640582000000000e-13 -8.470130102040815e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] -1.875770000000000e-14 -6.399076999999999e-13 -8.162088010204080e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] -1.126820000000000e-14 -6.324181999999999e-13 -8.066558673469386e-02 PASS
foss-serial-full: [foss2023a-serial] -2.468450000000000e-14 -6.458345000000000e-13 -8.237684948979591e-02 PASS
intel_omp_autotools: [intel2022a-serial] -1.621250000000000e-15 -6.227712499999999e-13 -7.943510841836733e-02 PASS
intel_omp_autotools: [intel2023a-serial] -1.621250000000000e-15 -6.227712499999999e-13 -7.943510841836733e-02 PASS
foss-serial-debug: [foss2023a-serial] -2.468450000000000e-14 -6.458345000000000e-13 -8.237684948979591e-02 PASS
foss-serial-full: [foss2023b-serial] -2.468450000000000e-14 -6.458345000000000e-13 -8.237684948979591e-02 PASS
foss-opt-full: [foss2023a-serial] -2.468450000000000e-14 -6.458345000000000e-13 -8.237684948979591e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -2.358550000000000e-14 -6.447355000000000e-13 -8.223667091836734e-02 PASS
intel-serial: [intel2023a-serial] -1.213710000000000e-14 -6.332871000000000e-13 -8.077641581632652e-02 PASS
foss-omp-full: [foss2023a-serial] -5.811160000000000e-15 -6.269611599999999e-13 -7.996953571428569e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] -4.964660000000000e-15 -6.261146599999999e-13 -7.986156377551018e-02 PASS
foss-mpi-full: [foss2023a-mpi] -4.964660000000000e-15 -6.261146599999999e-13 -7.986156377551018e-02 PASS
foss-mpi-debug: [foss2023a-mpi] -4.964660000000000e-15 -6.261146599999999e-13 -7.986156377551018e-02 PASS
foss-mpi-omp-full: [foss2023a-mpi] 1.932970000000000e-14 -6.018202999999999e-13 -7.676279336734693e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -2.144720000000000e-15 -6.232947199999999e-13 -7.950187755102039e-02 PASS
foss-serial-min: [foss2023a-serial] -1.859020000000000e-14 -6.397402000000000e-13 -8.159951530612244e-02 PASS
foss-serial-min: [foss2023b-serial] -1.859020000000000e-14 -6.397402000000000e-13 -8.159951530612244e-02 PASS
foss-serial-min: [foss2022a-serial] -1.859020000000000e-14 -6.397402000000000e-13 -8.159951530612244e-02 PASS
foss-mpi-min: [foss2023a-mpi] -1.932530000000000e-14 -6.404752999999999e-13 -8.169327806122448e-02 PASS
foss-mpi-min: [foss2022a-mpi] -1.932530000000000e-14 -6.404752999999999e-13 -8.169327806122448e-02 PASS
valgrind: [foss2023a-serial] -2.985640000000000e-14 -6.510063999999999e-13 -8.303653061224488e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.893870000000000e-14 -6.600886999999999e-13 -8.419498724489795e-02 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -5.066880000000000e-15 -6.262168799999999e-13 -7.987460204081631e-02 PASS