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

Commits > Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.599062880002000e-13 1.000000000000000e-04 -6.688072089265783e-14 1.930439166186695e-13 -1.836552180497541e-13 4.178774944799635e-13 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: 0.0000000000005599062880002, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss-2022a_ppc 5.657189633811774e-17 -5.598497161038619e-13 -5.598497161038618e-09 PASS
spack_foss-2022a_serial -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss-2022a_opt -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
intel-2022a -6.938893903907228e-17 -5.599756769392390e-13 -5.599756769392390e-09 PASS
cmake_foss_2022a_full_mpi -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
spack_foss-2022a_serial_omp -2.509034646713815e-13 -8.108097526715814e-13 -8.108097526715815e-09 PASS
foss-2022a_omp -2.509034646713815e-13 -8.108097526715814e-13 -8.108097526715815e-09 PASS
eb_fosscuda-2022a 2.342222764302094e-13 -3.256840115699906e-13 -3.256840115699906e-09 PASS
intel-2022a_omp -6.938893903907228e-17 -5.599756769392390e-13 -5.599756769392390e-09 PASS
eb_foss-2022a -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
eb_foss-2022b_libxc6 -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
intel-2022b -6.015327125297176e-13 -1.161439000529918e-12 -1.161439000529917e-08 PASS