Match comparison for Fy (O) (t=200 au) (match type 17048)

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.115290118012000e-16 1.000000000000000e-04 8.013568656243316e-17 7.024238435638305e-17 2.328189544981714e-17 1.070381194769387e-16 PASS

Checks for this match

  • GPU builders have different values.
  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: -0.0000000000000001115290118012, precision: 0.0001
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-full] 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
foss_autotools: [foss2023a-serial] 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
foss_autotools: [foss2022a-serial] 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
foss_opt_autotools: [foss2023a-serial] 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
intel_autotools: [intel2023a-serial] 4.870162798325865e-18 1.163991745995259e-16 1.163991745995259e-12 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
foss_autotools: [foss2023b-serial] 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
foss_omp_autotools: [foss2023a-serial] 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
intel_omp_autotools: [intel2022a-serial] 4.870162798325865e-18 1.163991745995259e-16 1.163991745995259e-12 PASS
intel_omp_autotools: [intel2023a-serial] 4.870162798325865e-18 1.163991745995259e-16 1.163991745995259e-12 PASS
foss_ppc_autotools: [foss2022a-serial] 6.834954152972877e-17 1.798785533309288e-16 1.798785533309288e-12 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -8.375622402712152e-17 2.777278777407849e-17 2.777278777407849e-13 PASS