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

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.447837823412000e+00 1.000000000000000e-04 1.447837823412269e+00 1.065869435434748e-13 1.447837823412212e+00 1.890709810936642e-13 PASS

Checks for this match

  • GPU builders have different values.
    • Intel® builders have different values.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 1.447837823412, precision: 0.0001
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-full] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
foss_autotools: [foss2023a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
foss_autotools: [foss2022a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
foss_autotools: [foss2023b-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
foss_opt_autotools: [foss2023a-serial] 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_cmake: [foss2022a-mpi, foss-full-mpi] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
foss_omp_autotools: [foss2023a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
foss_cmake: [foss2023a-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
intel_omp_autotools: [intel2023a-serial] 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
foss_ppc_autotools: [foss2022a-serial] 1.447837823412083e+00 8.304468224196171e-14 8.304468224196171e-10 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.447837823412023e+00 2.309263891220326e-14 2.309263891220326e-10 PASS