Match comparison for Total force (match type 23757)

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Input 10-intersite.01-Na2.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.994932000000000e-17 4.100000000000000e-16 1.908195820161291e-17 6.348907503143564e-17 2.602085200000001e-17 1.856154120000000e-16 PASS

Checks for this match

  • GPU 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: -0.000000000000000019949320000000002, precision: 0.00000000000000041
Run Value Difference Relative difference Status
foss_min_autotools: [foss2022a-serial] 1.387778780000000e-17 3.382710780000000e-17 8.250514097560976e-02 PASS
foss_min_autotools: [foss2023a-serial] 1.387778780000000e-17 3.382710780000000e-17 8.250514097560976e-02 PASS
foss_min_autotools: [foss2023b-serial] 1.387778780000000e-17 3.382710780000000e-17 8.250514097560976e-02 PASS
foss_opt_autotools: [foss2023a-serial] -2.081668170000000e-17 -8.673616999999993e-19 -2.115516341463413e-03 PASS
foss_autotools: [foss2022a-serial] 1.387778780000000e-17 3.382710780000000e-17 8.250514097560976e-02 PASS
foss_autotools: [foss2023a-serial] 1.387778780000000e-17 3.382710780000000e-17 8.250514097560976e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -2.081668170000000e-17 -8.673616999999993e-19 -2.115516341463413e-03 PASS
intel_autotools: [intel2023a-serial] -1.595945600000000e-16 -1.396452400000000e-16 -3.405981463414633e-01 PASS
foss_autotools: [foss2023b-serial] 1.387778780000000e-17 3.382710780000000e-17 8.250514097560976e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.081668170000000e-17 -8.673616999999993e-19 -2.115516341463413e-03 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.989863990000000e-17 5.984795990000000e-17 1.459706339024390e-01 PASS
foss_omp_autotools: [foss2023a-serial] -1.561251130000000e-17 4.336808700000000e-18 1.057758219512195e-02 PASS
foss_cmake_mpi_min: [foss2022a-mpi] -3.469446950000000e-18 1.647987305000000e-17 4.019481231707318e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.469446950000000e-18 1.647987305000000e-17 4.019481231707318e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.989863990000000e-17 5.984795990000000e-17 1.459706339024390e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.989863990000000e-17 5.984795990000000e-17 1.459706339024390e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.989863990000000e-17 5.984795990000000e-17 1.459706339024390e-01 PASS
intel_omp_autotools: [intel2022a-serial] 4.163336340000000e-17 6.158268340000001e-17 1.502016668292683e-01 PASS
foss_debug_autotools: [foss2023a-serial] 1.387778780000000e-17 3.382710780000000e-17 8.250514097560976e-02 PASS
foss_cmake_mpi_min: [foss2023a-mpi] -3.469446950000000e-18 1.647987305000000e-17 4.019481231707318e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.469446950000000e-18 1.647987305000000e-17 4.019481231707318e-02 PASS
intel_omp_autotools: [intel2023a-serial] 4.163336340000000e-17 6.158268340000001e-17 1.502016668292683e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.469446950000000e-18 1.647987305000000e-17 4.019481231707318e-02 PASS
foss_ppc_autotools: [foss2022a-serial] 9.887923810000000e-17 1.188285581000000e-16 2.898257514634146e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.989863990000000e-17 5.984795990000000e-17 1.459706339024390e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -5.377642780000000e-17 -3.382710780000000e-17 -8.250514097560975e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 4.336808690000000e-17 6.331740690000000e-17 1.544326997560976e-01 PASS
foss_valgrind_autotools: [foss2023a-serial] 1.908195820000000e-17 3.903127820000000e-17 9.519823951219512e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.873501350000000e-16 2.072994550000000e-16 5.056084268292683e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 2.116362640000000e-16 2.315855840000000e-16 5.648428878048781e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.989863990000000e-17 -1.994931990000000e-17 -4.865687780487805e-02 PASS