Match comparison for Total force (match type 23757)

Commits > Commit c335ce26b11dabfe3619506d15cfc1285f92daaf > Input 10-intersite.01-Na2.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.072994560000000e-16 3.980000000000000e-16 -6.984813056470589e-17 1.511426393235902e-16 -2.072994555000000e-16 3.616898445000000e-16 PASS

Checks for this match

  • GPU builders have different values.
  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: -0.000000000000000207299456, precision: 0.000000000000000398
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.677613770000000e-16 -1.604619210000000e-16 -4.031706557788945e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.677613770000000e-16 -1.604619210000000e-16 -4.031706557788945e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.278627370000000e-16 -1.205632810000000e-16 -3.029228165829146e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.278627370000000e-16 -1.205632810000000e-16 -3.029228165829146e-01 PASS
foss-serial-min: [foss2022a-serial] -3.295974600000000e-17 1.743397100000000e-16 4.380394723618090e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -6.418476860000000e-17 1.431146874000000e-16 3.595846417085428e-01 PASS
foss-serial-min: [foss2023a-serial] -3.295974600000000e-17 1.743397100000000e-16 4.380394723618090e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -6.418476860000000e-17 1.431146874000000e-16 3.595846417085428e-01 PASS
foss-serial-min: [foss2023b-serial] -3.295974600000000e-17 1.743397100000000e-16 4.380394723618090e-01 PASS
foss-serial-full: [foss2023a-serial] -3.295974600000000e-17 1.743397100000000e-16 4.380394723618090e-01 PASS
foss-opt-full: [foss2023a-serial] -6.418476860000000e-17 1.431146874000000e-16 3.595846417085428e-01 PASS
foss-serial-full: [foss2023b-serial] -3.295974600000000e-17 1.743397100000000e-16 4.380394723618090e-01 PASS
intel_autotools: [intel2023a-serial] 2.602085210000000e-17 2.333203081000000e-16 5.862319298994976e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.387778780000000e-17 1.934216682000000e-16 4.859840909547739e-01 PASS
foss-serial-debug: [foss2023a-serial] -3.295974600000000e-17 1.743397100000000e-16 4.380394723618090e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.387778780000000e-17 1.934216682000000e-16 4.859840909547739e-01 PASS
intel_omp_autotools: [intel2023a-serial] 9.887923810000000e-17 3.061786941000000e-16 7.692932012562814e-01 PASS
intel_omp_autotools: [intel2022a-serial] 9.887923810000000e-17 3.061786941000000e-16 7.692932012562814e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -1.387778780000000e-17 1.934216682000000e-16 4.859840909547739e-01 PASS
foss-mpi-full: [foss2023a-mpi] -8.673617380000000e-17 1.205632822000000e-16 3.029228195979899e-01 PASS
foss-omp-full: [foss2023a-serial] -4.510281040000000e-17 1.621966456000000e-16 4.075292603015075e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.642919300000000e-17 2.437286490000000e-16 6.123835402010050e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -1.387778780000000e-17 1.934216682000000e-16 4.859840909547739e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -1.387778780000000e-17 1.934216682000000e-16 4.859840909547739e-01 PASS
foss-mpi-min: [foss2022a-mpi] -8.673617380000000e-17 1.205632822000000e-16 3.029228195979899e-01 PASS
foss-mpi-min: [foss2023a-mpi] -8.673617380000000e-17 1.205632822000000e-16 3.029228195979899e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -8.673617380000000e-17 1.205632822000000e-16 3.029228195979899e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -6.418476860000000e-17 1.431146874000000e-16 3.595846417085428e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -8.673617380000000e-17 1.205632822000000e-16 3.029228195979899e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.543903890000000e-16 3.616898450000000e-16 9.087684547738694e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.816391650000000e-17 1.691355395000000e-16 4.249636670854272e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 1.214306430000000e-16 3.287300990000000e-16 8.259550226130653e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 9.020562080000001e-17 2.975050768000000e-16 7.475001929648242e-01 PASS
foss_valgrind_autotools: [foss2023a-serial] -5.689893000000000e-16 -3.616898440000000e-16 -9.087684522613065e-01 PASS