Match comparison for z (O) (t=200 au) (match type 17040)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.468238009257000e-01 1.000000000000000e-04 -3.468238009257150e-01 1.158064470034963e-14 -3.468238009257198e-01 2.042810365310288e-14 PASS

Checks for this match

  • GPU builders have different values.
  • Intel® builders have different values.
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Detailed information

Reference: -0.3468238009257, precision: 0.0001
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-full] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
foss_autotools: [foss2023a-serial] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
foss_autotools: [foss2022a-serial] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
foss_opt_autotools: [foss2023a-serial] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
intel_autotools: [intel2023a-serial] -3.468238009256994e-01 6.106226635438361e-16 6.106226635438361e-12 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
foss_autotools: [foss2023b-serial] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
foss_omp_autotools: [foss2023a-serial] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
intel_omp_autotools: [intel2022a-serial] -3.468238009256994e-01 6.106226635438361e-16 6.106226635438361e-12 PASS
intel_omp_autotools: [intel2023a-serial] -3.468238009256994e-01 6.106226635438361e-16 6.106226635438361e-12 PASS
foss_ppc_autotools: [foss2022a-serial] -3.468238009257343e-01 -3.436140261214859e-14 -3.436140261214859e-10 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.468238009257402e-01 -4.024558464266192e-14 -4.024558464266192e-10 PASS