Match comparison for x (H) (t=200 au) (match type 17044)

Commits > Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.447837823412000e+00 1.000000000000000e-04 -1.447837823412237e+00 1.281233543551254e-13 -1.447837823412215e+00 1.865174681370263e-13 PASS

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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] -1.447837823412028e+00 -2.819966482547898e-14 -2.819966482547898e-10 PASS
intel_autotools: [intel2023a-serial] -1.447837823412401e+00 -4.012346010995316e-13 -4.012346010995316e-09 PASS
foss-opt-full: [foss2023a-serial] -1.447837823412274e+00 -2.737809978725636e-13 -2.737809978725636e-09 PASS
foss-serial-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-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -1.447837823412028e+00 -2.819966482547898e-14 -2.819966482547898e-10 PASS
foss-ppc: [foss2022a-serial] -1.447837823412083e+00 -8.304468224196171e-14 -8.304468224196171e-10 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-mpi-full: [foss2023a-mpi] -1.447837823412274e+00 -2.737809978725636e-13 -2.737809978725636e-09 PASS
foss_cmake: [foss2022a-serial, foss-full] -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_cmake: [foss2022a-mpi, foss-full-mpi] -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
foss_cuda_autotools: [foss2022a-cuda-mpi] -1.447837823412028e+00 -2.819966482547898e-14 -2.819966482547898e-10 PASS