Match comparison for y (O) (t=200 au) (match type 17039)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-9.292331809823001e-18 1.000000000000000e-04 -9.112464417647072e-18 4.546571584878390e-18 -8.988075686790240e-18 7.168374110430219e-18 PASS

Checks for this match

  • GPU builders have different values.
  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: -0.000000000000000009292331809823, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2022a_serial_opt -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
spack_foss-2022a_serial -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
spack_foss-2022a_ppc -1.819701576360020e-18 7.472630233462980e-18 7.472630233462980e-14 PASS
spack_intel-2022a_serial_omp -9.791944745403741e-18 -4.996129355807401e-19 -4.996129355807401e-15 PASS
spack_foss-2022a_cuda_serial -1.615644979722046e-17 -6.864117987397458e-18 -6.864117987397457e-14 PASS