Match comparison for z (O) (t=200 au) (match type 17040)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.468238009257000e-01 1.000000000000000e-04 -3.468238009257149e-01 1.064919678550480e-14 -3.468238009257176e-01 1.820765760385257e-14 PASS

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Detailed information

Reference: -0.3468238009257, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
foss-2022a_ppc -3.468238009257343e-01 -3.436140261214859e-14 -3.436140261214859e-10 PASS
spack_foss-2022a_serial -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
foss-2022a_opt -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
intel-2022a -3.468238009256994e-01 6.106226635438361e-16 6.106226635438361e-12 PASS
cmake_foss_2022a_full_mpi -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
spack_foss-2022a_serial_omp -3.468238009257065e-01 -6.494804694057166e-15 -6.494804694057166e-11 PASS
foss-2022a_omp -3.468238009257065e-01 -6.494804694057166e-15 -6.494804694057166e-11 PASS
eb_fosscuda-2022a -3.468238009257358e-01 -3.580469254416130e-14 -3.580469254416130e-10 PASS
intel-2022a_omp -3.468238009256994e-01 6.106226635438361e-16 6.106226635438361e-12 PASS
eb_foss-2022a -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
eb_foss-2022b_libxc6 -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
intel-2022b -3.468238009257208e-01 -2.087219286295294e-14 -2.087219286295294e-10 PASS