Match comparison for Dipole x (match type 22769)

Commits > Commit f8aeac8acec97cad57d0dc81a915c34dc5591a3a > Input 08-benzene_supercell.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.727400000000000e-13 6.610000000000000e-12 5.198243800000000e-15 1.264430153649750e-14 -6.944999999999990e-16 3.516090000000000e-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_valgrind_autotools: [foss2023a-serial] -3.585540000000000e-14 -7.085954000000000e-13 -1.072005143721634e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.174740000000000e-14 -6.609926000000000e-13 -9.999888048411497e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.702070000000000e-15 -6.744420700000000e-13 -1.020335960665658e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.446640000000000e-14 -6.382736000000000e-13 -9.656181543116490e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 2.814030000000000e-14 -6.445997000000000e-13 -9.751886535552194e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] 2.814030000000000e-14 -6.445997000000000e-13 -9.751886535552194e-02 PASS
foss_autotools: [foss2023a-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
intel_autotools: [intel2023a-serial] 5.857560000000000e-15 -6.668824400000000e-13 -1.008899304084720e-01 PASS
foss_autotools: [foss2022a-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 1.934970000000000e-14 -6.533903000000000e-13 -9.884875945537064e-02 PASS
foss_autotools: [foss2023b-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 7.117320000000000e-15 -6.656226800000000e-13 -1.006993464447806e-01 PASS
foss-serial-debug: [foss2023a-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.149240000000000e-15 -6.758892400000000e-13 -1.022525325264750e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.149240000000000e-15 -6.758892400000000e-13 -1.022525325264750e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 4.896400000000000e-15 -6.678436000000001e-13 -1.010353403933434e-01 PASS
foss-serial-min: [foss2022a-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 7.117320000000000e-15 -6.656226800000000e-13 -1.006993464447806e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 7.117320000000000e-15 -6.656226800000000e-13 -1.006993464447806e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.075770000000000e-15 -6.808157700000001e-13 -1.029978472012103e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 7.117320000000000e-15 -6.656226800000000e-13 -1.006993464447806e-01 PASS
foss-serial-min: [foss2023a-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
foss-serial-min: [foss2023b-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 1.544230000000000e-14 -6.572977000000000e-13 -9.943989409984871e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
foss-opt-full: [foss2023a-serial] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.045930000000000e-16 -6.731445930000000e-13 -1.018373060514372e-01 PASS
foss-omp-full: [foss2023a-serial] -5.155970000000000e-16 -6.732555970000000e-13 -1.018540993948563e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 7.117320000000000e-15 -6.656226800000000e-13 -1.006993464447806e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 7.117320000000000e-15 -6.656226800000000e-13 -1.006993464447806e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.617530000000000e-14 -6.889153000000000e-13 -1.042231921331316e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 1.596570000000000e-14 -6.567743000000000e-13 -9.936071104387291e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 1.596570000000000e-14 -6.567743000000000e-13 -9.936071104387291e-02 PASS
foss-mpi-min: [foss2022a-mpi] 1.596570000000000e-14 -6.567743000000000e-13 -9.936071104387291e-02 PASS
foss-mpi-min: [foss2023a-mpi] 1.596570000000000e-14 -6.567743000000000e-13 -9.936071104387291e-02 PASS