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

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.468238009257000e-01 1.000000000000000e-04 -3.468238009257190e-01 1.532345756208614e-14 -3.468238009257198e-01 2.042810365310288e-14 PASS

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Detailed information

Reference: -0.3468238009257, precision: 0.0001
Run Value Difference Relative difference Status
foss-ppc: [foss2022a-serial] -3.468238009257343e-01 -3.436140261214859e-14 -3.436140261214859e-10 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] -3.468238009257402e-01 -4.024558464266192e-14 -4.024558464266192e-10 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] -3.468238009257402e-01 -4.024558464266192e-14 -4.024558464266192e-10 PASS
foss-serial-full: [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-serial-full: [foss2023b-serial] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
foss-opt-full: [foss2023a-serial] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
intel-serial: [intel2023a-serial] -3.468238009256994e-01 6.106226635438361e-16 6.106226635438361e-12 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
foss-mpi-full: [foss2023a-mpi] -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.468238009257402e-01 -4.024558464266192e-14 -4.024558464266192e-10 PASS