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

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.726150915050000e-17 1.000000000000000e-04 5.230865329106580e-17 9.689523885706207e-17 1.569680474154776e-16 1.687782527262592e-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
foss_cmake: [foss2022a-serial, foss-full] -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
foss_opt_autotools: [foss2023a-serial] -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
foss_autotools: [foss2023a-serial] -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
foss_autotools: [foss2023b-serial] -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
foss_autotools: [foss2022a-serial] -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
intel_autotools: [intel2023a-serial] 1.142948458521940e-16 2.703333670169401e-17 2.703333670169401e-13 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
foss_omp_autotools: [foss2023a-serial] -1.181020531078158e-17 -9.907171446128158e-17 -9.907171446128156e-13 PASS
intel_omp_autotools: [intel2023a-serial] 1.142948458521940e-16 2.703333670169401e-17 2.703333670169401e-13 PASS
intel_omp_autotools: [intel2022a-serial] 1.142948458521940e-16 2.703333670169401e-17 2.703333670169401e-13 PASS
foss_ppc_autotools: [foss2022a-serial] 3.257463001417368e-16 2.384847909912368e-16 2.384847909912368e-12 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.058632975717892e-16 1.860178842128917e-17 1.860178842128917e-13 PASS