Match comparison for Fz (H) (t=200 au) (match type 17052)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.530246916375000e-03 1.000000000000000e-04 4.530246916163335e-03 2.251899054133799e-13 4.530246916205044e-03 3.923666946903381e-13 PASS

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Detailed information

Reference: 0.004530246916375, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
foss-2022a_ppc 4.530246916559622e-03 1.846214153777836e-13 1.846214153777836e-09 PASS
spack_foss-2022a_serial 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
foss-2022a_opt 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
intel-2022a 4.530246916009242e-03 -3.657577712923299e-13 -3.657577712923299e-09 PASS
cmake_foss_2022a_full_mpi 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
spack_foss-2022a_serial_omp 4.530246915812677e-03 -5.623227578022139e-13 -5.623227578022139e-09 PASS
foss-2022a_omp 4.530246915812677e-03 -5.623227578022139e-13 -5.623227578022139e-09 PASS
eb_fosscuda-2022a 4.530246916597411e-03 2.224106315784624e-13 2.224106315784624e-09 PASS
intel-2022a_omp 4.530246916009242e-03 -3.657577712923299e-13 -3.657577712923299e-09 PASS
eb_foss-2022a 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
eb_foss-2022b_libxc6 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
intel-2022b 4.530246916305214e-03 -6.978619071507097e-14 -6.978619071507097e-10 PASS