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

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.530246916375000e-03 1.000000000000000e-04 4.530246916186037e-03 1.269230555870241e-13 4.530246916284432e-03 2.751895933350568e-13 PASS

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Detailed information

Reference: 0.004530246916375, precision: 0.0001
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-full] 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
foss_autotools: [foss2023b-serial] 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
foss_opt_autotools: [foss2023a-serial] 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
foss_autotools: [foss2023a-serial] 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
foss_autotools: [foss2022a-serial] 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
intel_autotools: [intel2023a-serial] 4.530246916009242e-03 -3.657577712923299e-13 -3.657577712923299e-09 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
foss_omp_autotools: [foss2023a-serial] 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
foss_ppc_autotools: [foss2022a-serial] 4.530246916559622e-03 1.846214153777836e-13 1.846214153777836e-09 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 4.530246916121181e-03 -2.538195348344985e-13 -2.538195348344985e-09 PASS