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

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.599062880002000e-13 1.000000000000000e-04 1.471096938368237e-15 3.023102468425972e-15 3.723824847762163e-15 3.793213786801235e-15 PASS

Checks for this match

    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
foss-cmake-zen4: [foss2023a-serial, foss-full] 7.517038634563398e-15 -5.523892493656366e-13 -5.523892493656366e-09 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 7.517038634563398e-15 -5.523892493656366e-13 -5.523892493656366e-09 PASS
foss-serial-full: [foss2023b-serial] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss-opt-full: [foss2023a-serial] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss-ppc: [foss2022a-serial] 5.657189633811774e-17 -5.598497161038619e-13 -5.598497161038618e-09 PASS
foss-serial-full: [foss2023a-serial] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
intel_omp_autotools: [intel2023a-serial] -6.938893903907228e-17 -5.599756769392390e-13 -5.599756769392390e-09 PASS
intel_omp_autotools: [intel2022a-serial] -6.938893903907228e-17 -5.599756769392390e-13 -5.599756769392390e-09 PASS
foss-mpi-full: [foss2023a-mpi] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
intel-serial: [intel2023a-serial] -6.938893903907228e-17 -5.599756769392390e-13 -5.599756769392390e-09 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss-mpi-opt-full: [foss2023a-mpi] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
cuda-serial: [foss2022a-cuda-mpi] 7.517038634563398e-15 -5.523892493656366e-13 -5.523892493656366e-09 PASS