Match comparison for x (H) (t=200 au) (match type 17044)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.447837823412000e+00 1.000000000000000e-04 -1.447837823412212e+00 1.370077109971418e-13 -1.447837823412215e+00 1.865174681370263e-13 PASS

Checks for this match

  • OpenMP builders have different values.
  • GPU builders have different values.
  • Intel® builders have different values.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -1.447837823412, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2022a_serial_opt -1.447837823412274e+00 -2.737809978725636e-13 -2.737809978725636e-09 PASS
spack_foss-2022a_serial -1.447837823412274e+00 -2.737809978725636e-13 -2.737809978725636e-09 PASS
spack_foss-2022a_ppc -1.447837823412083e+00 -8.304468224196171e-14 -8.304468224196171e-10 PASS
spack_intel-2022a_serial_omp -1.447837823412401e+00 -4.012346010995316e-13 -4.012346010995316e-09 PASS
spack_foss-2022a_cuda_serial -1.447837823412028e+00 -2.819966482547898e-14 -2.819966482547898e-10 PASS