Match comparison for x (H) (t=200 au) (match type 17041)

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.447837823412000e+00 1.000000000000000e-04 1.447837823412252e+00 1.206973427818952e-13 1.447837823412212e+00 1.890709810936642e-13 PASS

Checks for this match

  • OpenMP builders have different values.
    • Intel® builders have different values.
    Zen 4 builders have different values.
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Detailed information

Reference: 1.447837823412, precision: 0.0001
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] 1.447837823412023e+00 2.309263891220326e-14 2.309263891220326e-10 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 1.447837823412023e+00 2.309263891220326e-14 2.309263891220326e-10 PASS
foss_cmake: [foss2022a-serial, foss-full] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
intel_autotools: [intel2023a-serial] 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
foss-serial-full: [foss2023a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
foss-opt-full: [foss2023a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
foss-serial-full: [foss2023b-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
foss-ppc: [foss2022a-serial] 1.447837823412083e+00 8.304468224196171e-14 8.304468224196171e-10 PASS
intel_omp_autotools: [intel2023a-serial] 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
intel_omp_autotools: [intel2022a-serial] 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
foss-mpi-opt-full: [foss2023a-mpi] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
foss-mpi-full: [foss2023a-mpi] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS