Match comparison for y (H) (t=200 au) (match type 17045)

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.726150915050000e-17 1.000000000000000e-04 4.527745647030027e-17 9.402652146408835e-17 1.344910667393839e-16 1.912552334023529e-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: 0.0000000000000000872615091505, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
foss-2022a_ppc 3.257463001417368e-16 2.384847909912368e-16 2.384847909912368e-12 PASS
spack_foss-2022a_serial_opt -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
spack_foss-2022a_serial -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
foss-2022a_opt -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
intel-2022b -5.676416666296894e-17 -1.440256758134689e-16 -1.440256758134689e-12 PASS
intel-2022a 1.142948458521940e-16 2.703333670169401e-17 2.703333670169401e-13 PASS
spack_foss-2022a_serial_omp 7.599494210210193e-17 -1.126656704839807e-17 -1.126656704839807e-13 PASS
cmake_foss_2022a_full_mpi -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
foss-2022a_omp 7.599494210210193e-17 -1.126656704839807e-17 -1.126656704839807e-13 PASS
intel-2022a_omp 1.142948458521940e-16 2.703333670169401e-17 2.703333670169401e-13 PASS
eb_fosscuda-2022a 6.699411837231516e-17 -2.026739077818484e-17 -2.026739077818484e-13 PASS
eb_foss-2022a -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
eb_foss-2022b_libxc6 -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS