Match comparison for y (H) (t=200 au) (match type 17042)

Commits > Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.025029371038001e-17 1.000000000000000e-04 8.553329031067284e-17 1.361500065599477e-16 -4.766098751244812e-19 2.963827041267182e-16 PASS

Checks for this match

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

Reference: 0.00000000000000006025029371038, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
foss-2022a_ppc -2.968593140018426e-16 -3.571096077122226e-16 -3.571096077122226e-12 PASS
spack_foss-2022a_serial 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
foss-2022a_opt 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
intel-2022a 4.114809919866403e-17 -1.910219451171598e-17 -1.910219451171598e-13 PASS
cmake_foss_2022a_full_mpi 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
spack_foss-2022a_serial_omp -7.783543262852876e-18 -6.803383697323288e-17 -6.803383697323289e-13 PASS
foss-2022a_omp -7.783543262852876e-18 -6.803383697323288e-17 -6.803383697323289e-13 PASS
eb_fosscuda-2022a 1.278684142548552e-16 6.761812054447516e-17 6.761812054447515e-13 PASS
intel-2022a_omp 4.114809919866403e-17 -1.910219451171598e-17 -1.910219451171598e-13 PASS
eb_foss-2022a 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
eb_foss-2022b_libxc6 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
intel-2022b 2.959060942515937e-16 2.356558005412137e-16 2.356558005412137e-12 PASS