Match comparison for Fx (O) (t=200 au) (match type 17047)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.599062880002000e-13 1.000000000000000e-04 1.484190973003111e-15 3.016727945639623e-15 3.723824847762163e-15 3.793213786801235e-15 PASS

Checks for this match

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

Reference: 0.0000000000005599062880002, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2022a_serial_opt -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
spack_foss-2022a_serial -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
spack_foss-2022a_ppc 5.657189633811774e-17 -5.598497161038619e-13 -5.598497161038618e-09 PASS
spack_intel-2022a_serial_omp -6.938893903907228e-17 -5.599756769392390e-13 -5.599756769392390e-09 PASS
spack_foss-2022a_cuda_serial 7.517038634563398e-15 -5.523892493656366e-13 -5.523892493656366e-09 PASS