Match comparison for Dipole y (match type 22770)

Commits > Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 > Input 08-benzene_supercell.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.211499999999999e-13 7.840000000000001e-12 -1.748629400000000e-14 1.376234862525791e-14 -1.289725000000000e-14 3.222695000000000e-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.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 0.0000000000006211499999999999, precision: 0.00000000000784
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.512420000000000e-14 -6.662741999999999e-13 -8.498395408163265e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.512420000000000e-14 -6.662741999999999e-13 -8.498395408163265e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -2.859550000000000e-14 -6.497455000000000e-13 -8.287570153061223e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -2.437340000000000e-14 -6.455233999999999e-13 -8.233716836734692e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -2.468450000000000e-14 -6.458345000000000e-13 -8.237684948979591e-02 PASS
foss-serial-min: [foss2023a-serial] -2.468450000000000e-14 -6.458345000000000e-13 -8.237684948979591e-02 PASS
foss-serial-min: [foss2022a-serial] -2.468450000000000e-14 -6.458345000000000e-13 -8.237684948979591e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.468450000000000e-14 -6.458345000000000e-13 -8.237684948979591e-02 PASS
foss-serial-min: [foss2023b-serial] -2.468450000000000e-14 -6.458345000000000e-13 -8.237684948979591e-02 PASS
foss_autotools: [foss2023a-serial] -2.468450000000000e-14 -6.458345000000000e-13 -8.237684948979591e-02 PASS
foss_autotools: [foss2023b-serial] -2.468450000000000e-14 -6.458345000000000e-13 -8.237684948979591e-02 PASS
foss_autotools: [foss2022a-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_autotools: [intel2023a-serial] -1.213710000000000e-14 -6.332871000000000e-13 -8.077641581632652e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.964660000000000e-15 -6.261146599999999e-13 -7.986156377551018e-02 PASS
foss-serial-debug: [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_cmake: [foss2023a-mpi, foss-full-mpi] -4.964660000000000e-15 -6.261146599999999e-13 -7.986156377551018e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -4.964660000000000e-15 -6.261146599999999e-13 -7.986156377551018e-02 PASS
foss-omp-full: [foss2023a-serial] -5.811160000000000e-15 -6.269611599999999e-13 -7.996953571428569e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -4.964660000000000e-15 -6.261146599999999e-13 -7.986156377551018e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -4.964660000000000e-15 -6.261146599999999e-13 -7.986156377551018e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -3.278990000000000e-14 -6.539398999999999e-13 -8.341070153061222e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -1.405690000000000e-14 -6.352068999999999e-13 -8.102128826530611e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -1.405690000000000e-14 -6.352068999999999e-13 -8.102128826530611e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -4.133860000000000e-14 -6.624885999999999e-13 -8.450109693877550e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -2.358550000000000e-14 -6.447355000000000e-13 -8.223667091836734e-02 PASS
foss-mpi-min: [foss2023a-mpi] -1.405690000000000e-14 -6.352068999999999e-13 -8.102128826530611e-02 PASS
foss-mpi-min: [foss2022a-mpi] -1.405690000000000e-14 -6.352068999999999e-13 -8.102128826530611e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -4.964660000000000e-15 -6.261146599999999e-13 -7.986156377551018e-02 PASS
foss_mpi_omp_autotools: [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_valgrind_autotools: [foss2023a-serial] -2.985640000000000e-14 -6.510063999999999e-13 -8.303653061224488e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -4.366250000000000e-15 -6.255162499999999e-13 -7.978523596938773e-02 PASS