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

Commits > Commit fa579c158b779976d5f0fa5d04f6d011c21f022f > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.468238009257000e-01 1.000000000000000e-04 -3.468238009257148e-01 1.205342129298209e-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
spack_foss-2023a_serial_opt -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
spack_foss-2022a_serial -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
spack_foss-2023a_serial -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
spack_foss-2023b_serial -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
spack_foss-2022a_ppc -3.468238009257343e-01 -3.436140261214859e-14 -3.436140261214859e-10 PASS
spack_foss-2023a_serial_omp -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
cmake_foss_2022a_full_mpi -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
spack_foss-2022a_cuda_serial -3.468238009257402e-01 -4.024558464266192e-14 -4.024558464266192e-10 PASS
cmake_foss_2022a_full_serial -3.468238009257151e-01 -1.515454428613339e-14 -1.515454428613339e-10 PASS
spack_intel-2023a_serial -3.468238009256994e-01 6.106226635438361e-16 6.106226635438361e-12 PASS
spack_intel-2022a_serial_omp -3.468238009256994e-01 6.106226635438361e-16 6.106226635438361e-12 PASS
spack_intel-2023a_serial_omp -3.468238009256994e-01 6.106226635438361e-16 6.106226635438361e-12 PASS