Match comparison for y (O) (t=200 au) (match type 17039)

Commits > Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-9.292331809823001e-18 1.000000000000000e-04 -1.013890543547226e-17 3.674206988147315e-18 -8.988075686790240e-18 7.168374110430219e-18 PASS

Checks for this match

  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: -0.000000000000000009292331809823, precision: 0.0001
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.615644979722046e-17 -6.864117987397458e-18 -6.864117987397457e-14 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -1.615644979722046e-17 -6.864117987397458e-18 -6.864117987397457e-14 PASS
foss_autotools: [foss2023a-serial] -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
foss_autotools: [foss2022a-serial] -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
foss_autotools: [foss2023b-serial] -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
intel_omp_autotools: [intel2022a-serial] -9.791944745403741e-18 -4.996129355807401e-19 -4.996129355807401e-15 PASS
intel_omp_autotools: [intel2023a-serial] -9.791944745403741e-18 -4.996129355807401e-19 -4.996129355807401e-15 PASS
foss-opt-full: [foss2023a-serial] -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
foss_cmake: [foss2022a-serial, foss-full] -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
foss_ppc_autotools: [foss2022a-serial] -1.819701576360020e-18 7.472630233462980e-18 7.472630233462980e-14 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
intel_autotools: [intel2023a-serial] -9.791944745403741e-18 -4.996129355807401e-19 -4.996129355807401e-15 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -1.615644979722046e-17 -6.864117987397458e-18 -6.864117987397457e-14 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS