Match comparison for z (H) (t=200 au) (match type 17046)

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
7.390503166185000e-01 1.000000000000000e-04 7.390503166186958e-01 1.154687241932872e-13 7.390503166186881e-01 1.599276266972538e-13 PASS

Checks for this match

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

Reference: 0.7390503166185, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2022a_serial_opt 7.390503166186505e-01 1.505462421391712e-13 1.505462421391712e-09 PASS
spack_foss-2022a_serial 7.390503166186505e-01 1.505462421391712e-13 1.505462421391712e-09 PASS
spack_foss-2022a_ppc 7.390503166188021e-01 3.020916850005051e-13 3.020916850005051e-09 PASS
spack_intel-2022a_serial_omp 7.390503166185282e-01 2.819966482547898e-14 2.819966482547898e-10 PASS
spack_foss-2022a_cuda_serial 7.390503166188480e-01 3.480549182199866e-13 3.480549182199866e-09 PASS