Match comparison for Total force (match type 23757)

Commits > Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a > Input 10-intersite.01-Na2.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.994932000000000e-17 5.370000000000000e-16 2.070476388709678e-18 1.127500689690444e-16 -1.483188570000000e-16 3.599551210000000e-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: 0.000000000000000537
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -2.081668170000000e-17 -8.673616999999993e-19 -1.615198696461824e-03 PASS
foss_min_autotools: [foss2022a-serial] 1.387778780000000e-17 3.382710780000000e-17 6.299275195530726e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.081668170000000e-17 -8.673616999999993e-19 -1.615198696461824e-03 PASS
foss_min_autotools: [foss2023a-serial] 1.387778780000000e-17 3.382710780000000e-17 6.299275195530726e-02 PASS
foss_min_autotools: [foss2023b-serial] 1.387778780000000e-17 3.382710780000000e-17 6.299275195530726e-02 PASS
foss_opt_autotools: [foss2023a-serial] -2.081668170000000e-17 -8.673616999999993e-19 -1.615198696461824e-03 PASS
foss_autotools: [foss2022a-serial] 1.387778780000000e-17 3.382710780000000e-17 6.299275195530726e-02 PASS
foss_autotools: [foss2023b-serial] 1.387778780000000e-17 3.382710780000000e-17 6.299275195530726e-02 PASS
intel_autotools: [intel2023a-serial] -1.595945600000000e-16 -1.396452400000000e-16 -2.600470018621973e-01 PASS
foss_autotools: [foss2023a-serial] 1.387778780000000e-17 3.382710780000000e-17 6.299275195530726e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.469446950000000e-18 1.647987305000000e-17 3.068877662942272e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.469446950000000e-18 1.647987305000000e-17 3.068877662942272e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.989863990000000e-17 5.984795990000000e-17 1.114487148975791e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.989863990000000e-17 5.984795990000000e-17 1.114487148975791e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.469446950000000e-18 1.647987305000000e-17 3.068877662942272e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.469446950000000e-18 1.647987305000000e-17 3.068877662942272e-02 PASS
foss_debug_autotools: [foss2023a-serial] 1.387778780000000e-17 3.382710780000000e-17 6.299275195530726e-02 PASS
foss_omp_autotools: [foss2023a-serial] -1.561251130000000e-17 4.336808700000000e-18 8.075993854748604e-03 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.469446950000000e-18 1.647987305000000e-17 3.068877662942272e-02 PASS
intel_omp_autotools: [intel2022a-serial] 4.163336340000000e-17 6.158268340000001e-17 1.146791124767225e-01 PASS
intel_omp_autotools: [intel2023a-serial] 4.163336340000000e-17 6.158268340000001e-17 1.146791124767225e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.989863990000000e-17 5.984795990000000e-17 1.114487148975791e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 9.887923810000000e-17 1.188285581000000e-16 2.212822310986964e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.989863990000000e-17 5.984795990000000e-17 1.114487148975791e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.989863990000000e-17 5.984795990000000e-17 1.114487148975791e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.989863990000000e-17 -1.994931990000000e-17 -3.714957150837989e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -5.377642780000000e-17 -3.382710780000000e-17 -6.299275195530725e-02 PASS
foss_valgrind_autotools: [foss2023a-serial] -5.082739780000000e-16 -4.883246580000000e-16 -9.093569050279329e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 4.336808690000000e-17 6.331740690000000e-17 1.179095100558659e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.873501350000000e-16 2.072994550000000e-16 3.860325046554935e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 2.116362640000000e-16 2.315855840000000e-16 4.312580707635009e-01 PASS