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

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > 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 1.086938800937034e-13 1.447837823412212e+00 1.890709810936642e-13 PASS

Checks for this match

  • GPU builders have different values.
    • Intel® builders have different values.
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Detailed information

Reference: 1.447837823412, precision: 0.0001
Run Value Difference Relative difference Status
GCI_foss_opt_autotools: [foss2023a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
cmake_foss_2022a_full_serial 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_foss_autotools: [foss2022a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_foss_autotools: [foss2023b-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
spack_foss-2022a_ppc 1.447837823412083e+00 8.304468224196171e-14 8.304468224196171e-10 PASS
spack_foss-2022a_serial 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
spack_foss-2023a_serial 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 1.447837823412083e+00 8.304468224196171e-14 8.304468224196171e-10 PASS
cmake_foss_2022a_full_mpi 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_foss_autotools: [foss2023a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_intel_autotools: [intel2023a-serial] 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
spack_foss-2023a_serial_opt 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
spack_foss-2023a_serial_omp 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
spack_foss-2023b_serial 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
spack_intel-2023a_serial 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
spack_intel-2022a_serial_omp 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
spack_intel-2023a_serial_omp 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 1.447837823412023e+00 2.309263891220326e-14 2.309263891220326e-10 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
spack_foss-2022a_cuda_serial 1.447837823412023e+00 2.309263891220326e-14 2.309263891220326e-10 PASS