Match comparison for Force 2 (y) (match type 31102)

Commits > Commit 7674d3f014e9528d45a88358f14173f28daae041 > Input 08-symmetrization_mgga.01-spg3_sym.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.923605050000000e-15 3.830000000000000e-15 1.301508476656250e-15 2.489788236367159e-15 1.675214330000000e-15 3.229878930000000e-15 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: 0.00000000000000192360505, precision: 0.00000000000000383
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 1.973383480000000e-15 4.977843000000008e-17 1.299697911227156e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -7.653925240000000e-16 -2.688997574000000e-15 -7.020881394255873e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -1.554664600000000e-15 -3.478269650000000e-15 -9.081643994778066e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 1.481237010000000e-15 -4.423680399999999e-16 -1.155007937336814e-01 PASS
foss-serial-min: [foss2023a-serial] 4.905093260000000e-15 2.981488210000000e-15 7.784564516971278e-01 PASS
foss-serial-min: [foss2022a-serial] 4.905093260000000e-15 2.981488210000000e-15 7.784564516971278e-01 PASS
foss-serial-min: [foss2023b-serial] 4.905093260000000e-15 2.981488210000000e-15 7.784564516971278e-01 PASS
intel_autotools: [intel2023a-serial] 2.659656350000000e-15 7.360513000000004e-16 1.921804960835510e-01 PASS
foss-opt-full: [foss2023a-serial] 4.905093260000000e-15 2.981488210000000e-15 7.784564516971278e-01 PASS
foss-serial-full: [foss2023b-serial] 4.905093260000000e-15 2.981488210000000e-15 7.784564516971278e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 4.905093260000000e-15 2.981488210000000e-15 7.784564516971278e-01 PASS
foss-ppc: [foss2022a-serial] 7.359564350000000e-16 -1.187648615000000e-15 -3.100910221932114e-01 PASS
foss-serial-debug: [foss2023a-serial] 4.905093260000000e-15 2.981488210000000e-15 7.784564516971278e-01 PASS
intel_omp_autotools: [intel2022a-serial] -5.079216130000000e-16 -2.431526663000000e-15 -6.348633584856396e-01 PASS
intel_omp_autotools: [intel2023a-serial] 2.721076400000000e-16 -1.651497410000000e-15 -4.312003681462140e-01 PASS
foss-serial-full: [foss2023a-serial] 4.905093260000000e-15 2.981488210000000e-15 7.784564516971278e-01 PASS
foss-omp-full: [foss2023a-serial] -4.763984350000000e-16 -2.400003485000000e-15 -6.266327637075717e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -1.057883160000000e-15 -2.981488210000000e-15 -7.784564516971278e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 4.905093260000000e-15 2.981488210000000e-15 7.784564516971278e-01 PASS
foss-mpi-full: [foss2023a-mpi] -1.057883160000000e-15 -2.981488210000000e-15 -7.784564516971278e-01 PASS
foss-mpi-min: [foss2022a-mpi] -1.057883160000000e-15 -2.981488210000000e-15 -7.784564516971278e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -6.994459270000000e-16 -2.623050977000000e-15 -6.848697067885117e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -1.057883160000000e-15 -2.981488210000000e-15 -7.784564516971278e-01 PASS
foss-mpi-min: [foss2023a-mpi] -1.057883160000000e-15 -2.981488210000000e-15 -7.784564516971278e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 1.793433020000000e-15 -1.301720299999999e-16 -3.398747519582243e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.057883160000000e-15 -2.981488210000000e-15 -7.784564516971278e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.057883160000000e-15 -2.981488210000000e-15 -7.784564516971278e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -1.057883160000000e-15 -2.981488210000000e-15 -7.784564516971278e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -1.057883160000000e-15 -2.981488210000000e-15 -7.784564516971278e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 6.406008540000000e-16 -1.283004196000000e-15 -3.349880407310704e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -5.875291570000000e-16 -2.511134207000000e-15 -6.556486180156657e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 2.058357820000000e-15 1.347527700000004e-16 3.518349086161889e-02 PASS